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Records |
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Author |
Neubert, S.; Mitoraj, D.; Shevlin, S.A.; Pulisova, P.; Heimann, M.; Du, Y.; Goh, G.K.L.; Pacia, M.; Kruczała, K.; Turner, S.; Macyk, W.; Guo, Z.X.; Hocking, R.K.; Beranek, R.; |
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Title |
Highly efficient rutile TiO2 photocatalysts with single Cu(II) and Fe(III) surface catalytic sites |
Type |
A1 Journal article |
| |
Year |
2016 |
Publication |
Journal of materials chemistry A : materials for energy and sustainability |
Abbreviated Journal |
J Mater Chem A |
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| |
Volume  |
4 |
Issue |
4 |
Pages |
3127-3138 |
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| |
Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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| |
Abstract |
Highly active photocatalysts were obtained by impregnation of nanocrystalline rutile TiO2 powders with small amounts of Cu(II) and Fe(III) ions, resulting in the enhancement of initial rates of photocatalytic degradation of 4-chlorophenol in water by factors of 7 and 4, compared to pristine rutile, respectively. Detailed structural analysis by EPR and X-ray absorption spectroscopy (EXAFS) revealed that Cu(II) and Fe(III) are present as single species on the rutile surface. The mechanism of the photoactivity enhancement was elucidated by a combination of DFT calculations and detailed experimental mechanistic studies including photoluminescence measurements, photocatalytic experiments using scavengers, OH radical detection, and photopotential transient measurements. The results demonstrate that the single Cu(II) and Fe(III) ions act as effective cocatalytic sites, enhancing the charge separation, catalyzing “dark” redox reactions at the interface, thus improving the normally very low quantum yields of UV light-activated TiO2 photocatalysts. The exact mechanism of the photoactivity enhancement differs depending on the nature of the cocatalyst. Cu(II)-decorated samples exhibit fast transfer of photogenerated electrons to Cu(II/I) sites, followed by enhanced catalysis of dioxygen reduction, resulting in improved charge separation and higher photocatalytic degradation rates. At Fe(III)-modified rutile the rate of dioxygen reduction is not improved and the photocatalytic enhancement is attributed to higher production of highly oxidizing hydroxyl radicals produced by alternative oxygen reduction pathways opened by the presence of catalytic Fe(III/II) sites. Importantly, it was demonstrated that excessive heat treatment (at 450 degrees C) of photocatalysts leads to loss of activity due to migration of Cu(II) and Fe(III) ions from TiO2 surface to the bulk, accompanied by formation of oxygen vacancies. The demonstrated variety of mechanisms of photoactivity enhancement at single site catalyst-modified photocatalysts holds promise for developing further tailored photocatalysts for various applications. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Cambridge |
Editor |
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| |
Language |
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Wos |
000371077300040 |
Publication Date |
2015-12-30 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
|
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| |
ISSN |
2050-7488; 2050-7496 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
8.867 |
Times cited |
44 |
Open Access |
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| |
Notes |
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Approved |
Most recent IF: 8.867 |
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| |
Call Number |
UA @ lucian @ c:irua:132322 |
Serial |
4191 |
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| Permanent link to this record |
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Author |
Heyne, M.H.; Chiappe, D.; Meersschaut, J.; Nuytten, T.; Conard, T.; Bender, H.; Huyghebaert, C.; Radu, I.P.; Caymax, M.; de Marneffe, J.F.; Neyts, E.C.; De Gendt, S.; |
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Title |
Multilayer MoS2 growth by metal and metal oxide sulfurization |
Type |
A1 Journal article |
| |
Year |
2016 |
Publication |
Journal of materials chemistry C : materials for optical and electronic devices |
Abbreviated Journal |
J Mater Chem C |
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| |
Volume |
4 |
Issue |
4 |
Pages |
1295-1304 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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| |
Abstract |
We investigated the deposition of MoS2 multilayers on large area substrates. The pre-deposition of metal or metal oxide with subsequent sulfurization is a promising technique to achieve layered films. We distinguish a different reaction behavior in metal oxide and metallic films and investigate the effect of the temperature, the H2S/H-2 gas mixture composition, and the role of the underlying substrate on the material quality. The results of the experiments suggest a MoS2 growth mechanism consisting of two subsequent process steps. At first, the reaction of the sulfur precursor with the metal or metal oxide occurs, requiring higher temperatures in the case of metallic film compared to metal oxide. At this stage, the basal planes assemble towards the diffusion direction of the reaction educts and products. After the sulfurization reaction, the material recrystallizes and the basal planes rearrange parallel to the substrate to minimize the surface energy. Therefore, substrates with low roughness show basal plane assembly parallel to the substrate. These results indicate that the substrate character has a significant impact on the assembly of low dimensional MoS2 films. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000370723300020 |
Publication Date |
2016-01-05 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
2050-7526; 2050-7534 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
5.256 |
Times cited |
|
Open Access |
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Notes |
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Approved |
Most recent IF: 5.256 |
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Call Number |
UA @ lucian @ c:irua:132327 |
Serial |
4211 |
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| Permanent link to this record |
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Author |
Naik, P.V.; Wee, L.H.; Meledina, M.; Turner, S.; Li, Y.; Van Tendeloo, G.; Martens, J.A.; Vankelecom, I.F.J. |
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Title |
PDMS membranes containing ZIF-coated mesoporous silica spheres for efficient ethanol recovery via pervaporation |
Type |
A1 Journal article |
| |
Year |
2016 |
Publication |
Journal of materials chemistry A : materials for energy and sustainability |
Abbreviated Journal |
J Mater Chem A |
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| |
Volume |
4 |
Issue |
4 |
Pages |
12790-12798 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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Abstract |
The design of functional micro- and mesostructured composite materials is significantly important for separation processes. Mesoporous silica is an attractive material for fast diffusion, while microporous zeolitic imidazolate frameworks (ZIFs) are beneficial for selective adsorption and diffusion. In this work, ZIF-71 and ZIF-8 nanocrystals were grown on the surface of mesoporous silica spheres (MSS) via the seeding and regrowth approach in order to obtain monodispersed MSS-ZIF-71 and MSS-ZIF-8 spheres with a particle size of 2-3 mm. These MSS-ZIF spheres were uniformly dispersed into a polydimethylsiloxane (PDMS) matrix to prepare mixed matrix membranes (MMMs). These MMMs were evaluated for the separation of ethanol from water via pervaporation. The pervaporation results reveal that the MSS-ZIF filled MMMs substantially improve the ethanol recovery in both aspects viz. flux and separation factor. These MMMs outperforms the unfilled PDMS membranes and the conventional carbon and zeolite filled MMMs. As expected, the mesoporous silica core allows very fast flow of the permeating compound, while the hydrophobic ZIF coating enhances the ethanol selectivity through its specific pore structure, hydrophobicity and surface chemistry. It can be seen that ZIF-8 mainly has a positive impact on the selectivity, while ZIF-71 enhances fluxes more significantly. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Cambridge |
Editor |
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Language |
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Wos |
000382015100012 |
Publication Date |
2016-07-12 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
2050-7488; 2050-7496 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
8.867 |
Times cited |
26 |
Open Access |
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Notes |
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Approved |
Most recent IF: 8.867 |
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Call Number |
UA @ lucian @ c:irua:137188 |
Serial |
4395 |
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| Permanent link to this record |
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Author |
Van Havenbergh, K.; Turner, S.; Marx, N.; Van Tendeloo, G. |
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Title |
The mechanical behavior during (de)lithiation of coated silicon nanoparticles as anode material for lithium-ion batteries studied by InSitu transmission electron microscopy |
Type |
A1 Journal article |
| |
Year |
2016 |
Publication |
Energy technology |
Abbreviated Journal |
Energy Technol-Ger |
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| |
Volume |
4 |
Issue |
4 |
Pages |
1005-1012 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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Abstract |
One approach to cope with the continuous irreversible capacity loss in Si-based electrodes, attributed to lithiation-induced volume changes and the formation of a solid-electrolyte interface (SEI), is by coating silicon nanoparticles. A coating can improve the conductivity of the electrode, form a chemical shield against the electrolyte, or provide mechanical confinement to reduce the volume increase. The influence of such a coating on the mechanical behavior of silicon nanoparticles during Li insertion and Li extraction was investigated by insitu transmission electron microscopy. The type of coating was shown to influence the size of the unreacted core that remains after reaction of silicon with lithium. Furthermore, two mechanisms to relieve the stress generated during volume expansion are reported: the initiation of cracks and the formation of nanovoids. Both result in a full reaction of the silicon nanoparticles, whereas with the formation of cracks, additional surface area is created, on which an SEI can be formed. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000382549500012 |
Publication Date |
2016-06-29 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
2194-4296; 2194-4288 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.789 |
Times cited |
6 |
Open Access |
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Notes |
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Approved |
Most recent IF: NA |
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Call Number |
UA @ lucian @ c:irua:137167 |
Serial |
4406 |
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| Permanent link to this record |
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Author |
Çakir, D.; Sevik, C.; Gulseren, O.; Peeters, F.M. |
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Title |
Mo2C as a high capacity anode material: a first-principles study |
Type |
A1 Journal article |
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Year |
2016 |
Publication |
Journal of materials chemistry A : materials for energy and sustainability |
Abbreviated Journal |
J Mater Chem A |
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Volume |
4 |
Issue |
16 |
Pages |
6029-6035 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
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Abstract |
The adsorption and diffusion of Li, Na, K and Ca atoms on a Mo2C monolayer are systematically investigated by using first principles methods. We found that the considered metal atoms are strongly bound to the Mo2C monolayer. However, the adsorption energies of these alkali and earth alkali elements decrease as the coverage increases due to the enhanced repulsion between the metal ions. We predict a significant charge transfer from the ad-atoms to the Mo2C monolayer, which indicates clearly the cationic state of the metal atoms. The metallic character of both pristine and doped Mo2C ensures a good electronic conduction that is essential for an optimal anode material. Low migration energy barriers are predicted as small as 43 meV for Li, 19 meV for Na and 15 meV for K, which result in the very fast diffusion of these atoms on Mo2C. For Mo2C, we found a storage capacity larger than 400 mA h g(-1) by the inclusion of multilayer adsorption. Mo2C expands slightly upon deposition of Li and Na even at high concentrations, which ensures the good cyclic stability of the atomic layer. The calculated average voltage of 0.68 V for Li and 0.30 V for Na ions makes Mo2C attractive for low charging voltage applications. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Cambridge |
Editor |
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Language |
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Wos |
000374790700033 |
Publication Date |
2016-03-18 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
2050-7488; 2050-7496 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
8.867 |
Times cited |
202 |
Open Access |
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Notes |
; This work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem foundation of the Flemish government. Computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure), and HPC infrastructure of the University of Antwerp (CalcUA) a division of the Flemish Supercomputer Center (VSC), which is funded by the Hercules foundation. C. S. acknowledges the support from Turkish Academy of Sciences (TUBA-GEBIP). C. S acknowledges the support from Anadolu University (Grant No. 1407F335). We acknowledge the support from TUBITAK, The Scientific and Technological Research Council of Turkey (Grant No. 115F024). ; |
Approved |
Most recent IF: 8.867 |
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| |
Call Number |
UA @ lucian @ c:irua:144763 |
Serial |
4669 |
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Author |
Sevik, C.; Wallbank, J.R.; Gulseren, O.; Peeters, F.M.; Çakir, D. |
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Title |
Gate induced monolayer behavior in twisted bilayer black phosphorus |
Type |
A1 Journal article |
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Year |
2017 |
Publication |
2D materials |
Abbreviated Journal |
2D Mater |
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Volume |
4 |
Issue |
3 |
Pages |
035025 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Optical and electronic properties of black phosphorus strongly depend on the number of layers and type of stacking. Using first-principles calculations within the framework of density functional theory, we investigate the electronic properties of bilayer black phosphorus with an interlayer twist angle of 90 degrees. These calculations are complemented with a simple (k) over right arrow . (p) over right arrow model which is able to capture most of the low energy features and is valid for arbitrary twist angles. The electronic spectrum of 90 degrees twisted bilayer black phosphorus is found to be x-y isotropic in contrast to the monolayer. However x-y anisotropy, and a partial return to monolayer-like behavior, particularly in the valence band, can be induced by an external out-of-plane electric field. Moreover, the preferred hole effective mass can be rotated by 90 degrees simply by changing the direction of the applied electric field. In particular, a +0.4 (-0.4) V angstrom(1) out-of-plane electric field results in a similar to 60% increase in the hole effective mass along the y (x) axis and enhances the m(y)*/m(x)* (m(x)*/m(y)*) ratio as much as by a factor of 40. Our DFT and (k) over right arrow . (p) over right arrow simulations clearly indicate that the twist angle in combination with an appropriate gate voltage is a novel way to tune the electronic and optical properties of bilayer phosphorus and it gives us a new degree of freedom to engineer the properties of black phosphorus based devices. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
IOP Publishing |
Place of Publication |
Bristol |
Editor |
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Language |
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Wos |
000406926600001 |
Publication Date |
2017-08-03 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
2053-1583 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
6.937 |
Times cited |
13 |
Open Access |
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Notes |
; This work was supported by the bilateral project between the The Scientific and Technological Research Council of Turkey (TUBITAK) and FWO-Flanders, Flemish Science Foundation (FWO-Vl) and the Methusalem foundation of the Flemish government. Computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TRGrid e-Infrastructure), and HPC infrastructure of the University of Antwerp (CalcUA) a division of the Flemish Supercomputer Center (VSC), which is funded by the Hercules foundation. We acknowledge the support from TUBITAK (Grant No. 115F024), ERC Synergy grant Hetero2D and the EU Graphene Flagship Project. We also thank Vladimir Fal'ko for helpful discussions. ; |
Approved |
Most recent IF: 6.937 |
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Call Number |
UA @ lucian @ c:irua:145151 |
Serial |
4717 |
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Author |
Ata, I.; Ben Dkhil, S.; Pfannmoeller, M.; Bals, S.; Duche, D.; Simon, J.-J.; Koganezawa, T.; Yoshimoto, N.; Videlot-Ackermann, C.; Margeat, O.; Ackermann, J.; Baeuerle, P. |
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Title |
The influence of branched alkyl side chains in A-D-A oligothiophenes on the photovoltaic performance and morphology of solution-processed bulk-heterojunction solar cells |
Type |
A1 Journal article |
| |
Year |
2017 |
Publication |
Organic chemistry frontiers : an international journal of organic chemistry |
Abbreviated Journal |
Org Chem Front |
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Volume |
4 |
Issue |
4 |
Pages |
1561-1573 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
Besides providing sufficient solubility, branched alkyl chains also affect the film-forming and packing properties of organic semiconductors. In order to avoid steric hindrance as it is present in wide-spread alkyl chains comprising a branching point position at the C2-position, i.e., 2-ethylhexyl, the branching point can be moved away from the pi-conjugated backbone. In this report, we study the influence of the modification of the branching point position from the C2-position in 2-hexyldecylamine (1) to the C4-position in 4-hexyldecylamine (2) connected to the central dithieno[3,2-b: 2', 3'-d] pyrrole (DTP) moiety in a well-studied A-D-A oligothiophene on the optoelectronic properties and photovoltaic performance in solution- processed bulk heterojunction solar cells (BHJSCs) with [6,6]-phenyl-C71-butyric acid methyl ester (PC71BM) as the acceptor material. Post-treatment of the photoactive layers is performed via solvent vapor annealing (SVA) in order to improve the film microstructure of the bulk heterojunction. The time evolution of nanoscale morphological changes is followed by combining scanning transmission electron microscopy with low-energy-loss spectroscopic imaging (STEM-SI), solid-state absorption spectroscopy, and two-dimensional grazing incidence X-ray diffraction (2D-GIXRD). Our results show an improvement of the photovoltaic performance that is dependent on the branching point position in the donor oligomer. Optical spacers are utilized to increase light absorption inside the co-oligomer 2-based BHJSCs leading to increased power conversion efficiencies (PCEs) of 8.2% when compared to the corresponding co-oligomer 1-based devices. A STEM-SI analysis of the respective device cross-sections of active layers containing 1 and 2 as donor materials indeed reveals significant differences in their respective active layer morphologies. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
RSC Publishing |
Place of Publication |
London |
Editor |
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Language |
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Wos |
000406374800013 |
Publication Date |
2017-05-02 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
2052-4129 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
4.955 |
Times cited |
24 |
Open Access |
OpenAccess |
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Notes |
; We acknowledge financial support by the European Commission under the project “SUNFLOWER” (FP7-ICT-2011-7, grant number: 287594) and S.B. acknowledges the ERC Starting Grant Colouratoms (335078). ; |
Approved |
Most recent IF: 4.955 |
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Call Number |
UA @ lucian @ c:irua:145176UA @ admin @ c:irua:145176 |
Serial |
4727 |
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| Permanent link to this record |
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Author |
Barreca, D.; Carraro, G.; Gasparotto, A.; Maccato, C.; Altantzis, T.; Sada, C.; Kaunisto, K.; Ruoko, T.-P.; Bals, S. |
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Title |
Vapor Phase Fabrication of Nanoheterostructures Based on ZnO for Photoelectrochemical Water Splitting |
Type |
A1 Journal article |
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Year |
2017 |
Publication |
Advanced Materials Interfaces |
Abbreviated Journal |
Adv Mater Interfaces |
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Volume |
4 |
Issue |
4 |
Pages |
1700161 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
Nanoheterostructures based on metal oxide semiconductors have emerged
as promising materials for the conversion of sunlight into chemical energy.
In the present study, ZnO-based nanocomposites have been developed by
a hybrid vapor phase route, consisting in the chemical vapor deposition
of ZnO systems on fluorine-doped tin oxide substrates, followed by the
functionalization with Fe2O3 or WO3 via radio frequency-sputtering. The
target systems are subjected to thermal treatment in air both prior and after
sputtering, and their properties, including structure, chemical composition,
morphology, and optical absorption, are investigated by a variety of characterization
methods. The obtained results evidence the formation of highly
porous ZnO nanocrystal arrays, conformally covered by an ultrathin Fe2O3
or WO3 overlayer. Photocurrent density measurements for solar-triggered
water splitting reveal in both cases a performance improvement with respect
to bare zinc oxide, that is mainly traced back to an enhanced separation of
photogenerated charge carriers thanks to the intimate contact between the
two oxides. This achievement can be regarded as a valuable result in view of
future optimization of similar nanoheterostructured photoanodes. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000411525700007 |
Publication Date |
2017-05-15 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
2196-7350 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
4.279 |
Times cited |
30 |
Open Access |
OpenAccess |
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Notes |
The authors kindly acknowledge the financial support under Padova University ex-60% 2013–2016, P-DiSC #SENSATIONAL BIRD2016- UNIPD projects and the post-doc fellowship ACTION. S.B. acknowledges financial support from the European Research Council (Starting Grant No. COLOURATOM 335078) and T.A. acknowledges funding from the Research Foundation Flanders (FWO, Belgium) through a postdoctoral grant. Many thanks are also due to Dr. Rosa Calabrese (Department of Chemistry, Padova University, Italy) for experimental assistance. (ROMEO:yellow; preprint:; postprint:restricted ; pdfversion:cannot); saraecas; ECAS_Sara; |
Approved |
Most recent IF: 4.279 |
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Call Number |
EMAT @ emat @c:irua:146104UA @ admin @ c:irua:146104 |
Serial |
4731 |
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Author |
Peymanirad, F.; Singh, S.K.; Ghorbanfekr-Kalashami, H.; Novoselov, K.S.; Peeters, F.M.; Neek-Amal, M. |
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Title |
Thermal activated rotation of graphene flake on graphene |
Type |
A1 Journal article |
| |
Year |
2017 |
Publication |
2D materials |
Abbreviated Journal |
2D Mater |
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Volume |
4 |
Issue |
2 |
Pages |
025015 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
The self rotation of a graphene flake over graphite is controlled by the size, initial misalignment and temperature. Using both ab initio calculations and molecular dynamics simulations, we investigate annealing effects on the self rotation of a graphene flake on a graphene substrate. The energy barriers for rotation and drift of a graphene flake over graphene is found to be smaller than 25 meV/atom which is comparable to thermal energy. We found that small flakes (of about similar to 4 nm) are more sensitive to temperature and initial misorientation angles than larger one (beyond 10 nm). The initial stacking configuration of the flake is found to be important for its dynamics and time evolution of misalignment. Large flakes, which are initially in the AA-or AB-stacking state with small misorientation angle, rotate and end up in the AB-stacking configuration. However small flakes can they stay in an incommensurate state specially when the initial misorientation angle is larger than 2 degrees. Our results are in agreement with recent experiments. |
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Corporate Author |
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Thesis |
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Publisher |
IOP Publishing |
Place of Publication |
Bristol |
Editor |
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Language |
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Wos |
000424399600005 |
Publication Date |
2017-02-02 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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| |
ISSN |
2053-1583 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
6.937 |
Times cited |
16 |
Open Access |
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| |
Notes |
; We would like to acknowledge Annalisa Fasolino and MM van Wijk for providing us with the implemented parameters of REBO-KC [5] in LAMMPS. This work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem foundation. ; |
Approved |
Most recent IF: 6.937 |
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| |
Call Number |
UA @ lucian @ c:irua:149364 |
Serial |
4984 |
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| Permanent link to this record |
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| |
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Author |
Khalilov, U.; Vets, C.; Neyts, E.C. |
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| |
Title |
Molecular evidence for feedstock-dependent nucleation mechanisms of CNTs |
Type |
A1 Journal article |
| |
Year |
2019 |
Publication |
Nanoscale Horizons |
Abbreviated Journal |
Nanoscale Horiz. |
|
| |
Volume |
4 |
Issue |
3 |
Pages |
674-682 |
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| |
Keywords |
A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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| |
Abstract |
Atomic scale simulations have been shown to be a powerful tool for elucidating the growth mechanisms of carbon nanotubes. The growth picture is however not entirely clear yet due to the gap between current simulations and real experiments. We here simulate for the first time the nucleation and subsequent growth of single-wall carbon nanotubes (SWNTs) from oxygen-containing hydrocarbon feedstocks using the hybrid Molecular Dynamics/Monte Carlo technique. The underlying nucleation mechanisms of Ni-catalysed SWNT growth are discussed in detail. Specifically, we find that as a function of the feedstock, different carbon fractions may emerge as the main growth species, due to a competition between the feedstock decomposition, its rehydroxylation and its contribution to etching of the growing SWNT. This study provides a further understanding of the feedstock effects in SWNT growth in comparison with available experimental evidence as well as with<italic>ab initio</italic>and other simulation data, thereby reducing the simulation–experiment gap. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000471816500011 |
Publication Date |
2019-01-02 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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| |
ISSN |
2055-6756 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
|
Times cited |
1 |
Open Access |
Not_Open_Access: Available from 03.01.2020
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Notes |
Fonds Wetenschappelijk Onderzoek, 12M1318N 1S22516N ; The authors gratefully acknowledge financial support from the Research Foundation Flanders (FWO), Belgium (Grant numbers 12M1318N and 1S22516N). The work was carried out in part using the CalcUA core facility of the Universiteit Antwerpen, a division of the Flemish Supercomputer Centre VSC, funded by FWO and the Flemish Government (Department EWI). We thank Prof. A. C. T. van Duin for sharing the reax-code and forcefield parameters. |
Approved |
Most recent IF: NA |
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| |
Call Number |
PLASMANT @ plasmant @UA @ admin @ c:irua:159658 |
Serial |
5169 |
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| Permanent link to this record |
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Author |
Bercx, M.; Slap, L.; Partoens, B.; Lamoen, D. |
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| |
Title |
First-Principles Investigation of the Stability of the Oxygen Framework of Li-Rich Battery Cathodes |
Type |
A1 Journal article |
| |
Year |
2019 |
Publication |
MRS advances |
Abbreviated Journal |
MRS Adv. |
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| |
Volume |
4 |
Issue |
14 |
Pages |
813-820 |
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| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT) |
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| |
Abstract |
Lithium-rich layered oxides such as Li<sub>2</sub>MnO<sub>3</sub>have shown great potential as cathodes in Li-ion batteries, mainly because of their large capacities. However, these materials still suffer from structural degradation as the battery is cycled, reducing the average voltage and capacity of the cell. The voltage fade is believed to be related to the migration of transition metals into the lithium layer, linked to the formation of O-O dimers with a short bond length, which in turn is driven by the presence of oxygen holes due to the participation of oxygen in the redox process. We investigate the formation of O-O dimers for partially charged O1-Li<sub>2</sub>MnO<sub>3</sub>using a first-principles density functional theory approach by calculating the reaction energy and kinetic barriers for dimer formation. Next, we perform similar calculations for partially charged O1-Li<sub>2</sub>IrO<sub>3</sub>, a Li-rich material for which the voltage fade was not observed during cycling. When we compare the stability of the oxygen framework, we conclude that the formation of O-O dimers is both thermodynamically and kinetically viable for O1-Li<sub>0.5</sub>MnO<sub>3</sub>. For O1-Li<sub>0.5</sub>IrO<sub>3</sub>, we observe that the oxygen lattice is much more stable, either returning to its original state when perturbed, or resulting in a structure with an O-O dimer that is much higher in energy. This can be explained by the mixed redox process for Li<sub>2</sub>IrO<sub>3</sub>, which is also shown from the calculated magnetic moments. The lack of O-O dimer formation in O1-Li<sub>0.5</sub>IrO<sub>3</sub>provides valuable insight as to why Li<sub>2</sub>IrO<sub>3</sub>does not demonstrate a voltage fade as the battery is cycled, which can be used to design Li-rich battery cathodes with an improved cycling performance. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000466846700004 |
Publication Date |
2019-02-21 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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| |
ISSN |
2059-8521 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
|
Times cited |
3 |
Open Access |
Not_Open_Access: Available from 22.02.2020
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Notes |
We acknowledge the financial support of FWO-Vlaanderen through project G040116N. The computational resources and services used in this work were provided by the VSC (Flemish Supercomputer Center) and the HPC infrastructure of the University of Antwerp (CalcUA), both funded by the FWO-Vlaanderen and the Flemish Government-department EWI. |
Approved |
Most recent IF: NA |
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| |
Call Number |
EMAT @ emat @UA @ admin @ c:irua:160121 |
Serial |
5179 |
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| Permanent link to this record |
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Author |
Rezvani, S.J.; Perali, A.; Fretto, M.; De Leo, N.; Flammia, L.; Milošević, M.; Nannarone, S.; Pinto, N. |
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Title |
Substrate-induced proximity effect in superconducting niobium nanofilms |
Type |
A1 Journal article |
| |
Year |
2018 |
Publication |
Condensed Matter |
Abbreviated Journal |
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| |
Volume |
4 |
Issue |
1 |
Pages |
4 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Structural and superconducting properties of high-quality niobium nanofilms with different thicknesses are investigated on silicon oxide (SiO2) and sapphire substrates. The role played by the different substrates and the superconducting properties of the Nb films are discussed based on the defectivity of the films and on the presence of an interfacial oxide layer between the Nb film and the substrate. The X-ray absorption spectroscopy is employed to uncover the structure of the interfacial layer. We show that this interfacial layer leads to a strong proximity effect, especially in films deposited on a SiO2 substrate, altering the superconducting properties of the Nb films. Our results establish that the critical temperature is determined by an interplay between quantum-size effects, due to the reduction of the Nb film thicknesses, and proximity effects. The detailed investigation here provides reference characterizations and has direct and important implications for the fabrication of superconducting devices based on Nb nanofilms. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000464289300001 |
Publication Date |
2018-12-31 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
2410-3896 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
|
Times cited |
3 |
Open Access |
|
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| |
Notes |
; This project was financially supported by University of Camerino, FAR project CESEMN. ; |
Approved |
Most recent IF: NA |
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| |
Call Number |
UA @ admin @ c:irua:159463 |
Serial |
5233 |
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| Permanent link to this record |
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Author |
Monico, L.; Sorace, L.; Cotte, M.; de Nolf, W.; Janssens, K.; Romani, A.; Miliani, C. |
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Title |
Disclosing the binding medium effects and the pigment solubility in the (photo)reduction process of chrome yellows (PbCrO4/PbCr1-xSxO4) |
Type |
A1 Journal article |
| |
Year |
2019 |
Publication |
ACS Omega |
Abbreviated Journal |
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| |
Volume |
4 |
Issue |
4 |
Pages |
6607-6619 |
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Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Abstract |
The darkening due to chemical alteration of chrome yellows (PbCrO4/PbCr1-xSxO4) is a phenomenon threatening a large number of 19th-20th century paintings, including the Amsterdam Sunflowers by Vincent van Gogh. Our earlier studies have proven that the alteration is due to a Cr(VI) -> Cr(III) reduction with Cr(V)-species that are formed as long-lived intermediates and that bCr(1-x)S(x)O(4) (0 < x <= 0.8) types undergo reduction more readily than monoclinic, S-free, PbCrO4. In this context, there is still lack of knowledge about the effects of the chemical properties of the binding medium (i.e., chemical composition and drying process) and the solubility of chrome yellows on the overall reduction pathways. Here, we study a series of naturally and photochemically aged mock-up paints prepared by mixing chrome yellow powders (PbCrO4/PbCr0.2S0.8O4) with either linseed oil or a water-based acrylic emulsion as the binding medium. Equivalent paints made up of the highly soluble K2CrO4 were also investigated and used as benchmarks to provide a more in-depth understanding of the influence of the solubility on the chromate reduction pathways in the two different binders. A combination of synchrotron radiation-based Cr K-edge X-ray absorption near edge structure (XANES), electron paramagnetic resonance (EPR), and UV-Visible spectroscopy measurements shows that: (1) the Cr(VI) reduction results from the interaction between the pigment and the binder; (2) the process is more significant in oil, giving rise to Cr(V)- and Cr(III)-species as well as oxidized organic compounds; (3) the lightfastness of the chrome yellow pigment is enhanced in the acrylic binder; and (4) the tendency toward chromium reduction increases with increasing solubility of the pigment. Based on our findings, we propose a scheme for the mechanism of the (photo)reduction process of chrome yellows in the oil and acrylic binder. Overall, our results provide new insights into the factors driving the degradation of lead chromate-based paints in artworks and contribute to the development of strategies for preserving them over time. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000466552500057 |
Publication Date |
2019-04-10 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
2470-1343 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
|
Times cited |
4 |
Open Access |
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Notes |
; The research was financially supported by the European research project IPERION-CH, funded by the European Commission, H2020-INFRAIA-2014-2015 (grant agreement n. 654028), and by the project AMIS, within the program Dipartimenti di Eccellenza 2018-2022, funded by MIUR and University of Perugia. The University of Perugia is also acknowledged for financial support under the program “Ricerca di Base 2017”. L.S. acknowledges the financial support of Ente CRF. For the beamtime grants received, we thank the ESRF (experiment no. HG64 and in-house beamtimes). ; |
Approved |
Most recent IF: NA |
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| |
Call Number |
UA @ admin @ c:irua:160416 |
Serial |
5577 |
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| Permanent link to this record |
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Author |
Benito, P.; de Nolf, W.; Nuyts, G.; Janssens, K.; et al. |
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Title |
Role of coating-metallic support interaction in the properties of electrosynthesized Rh-based structured catalysts |
Type |
A1 Journal article |
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Year |
2014 |
Publication |
ACS catalysis |
Abbreviated Journal |
Acs Catal |
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Volume |
4 |
Issue |
10 |
Pages |
3779-3790 |
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Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Abstract |
Rh-structured catalysts for the catalytic partial oxidation of CH4 to syngas were prepared by electrosynthesis of Rh-containing hydrotalcite-type (HT) compounds on FeCrAlloy foams followed by calcination at 900 degrees C. During the calcination the simultaneous decomposition of the layered HT structure and formation of the protective FeCrAlloy outer shell in alumina occurred. Here, we studied the role of the coating-metallic support interaction in the properties of the catalysts after calcination, H-2 reduction, and catalytic tests, by a combination of electron (FEG-SEM/EDS) and synchrotron X-ray (XRF/XRPD and XRF/XANES) microscopic techniques. The characterization of crystalline phases in the metallic support and coating and distribution of Rh active species was carried out on several samples prepared by modifying the Rh content in the electrolytic solution (Rh/Mg/Al = 11.0/70.0/19.0, 5.0/70.0/25.0, 0/70.0/30.0 atomic ratio). A sample was also prepared with no aluminum in the electrolytic solution (Rh/Mg/Al = 13.6/86.4/0.0 atomic ratio) and calcined at 550 and 900 degrees C. The interaction between the elements of the metallic support and the catalytic coating increased the film adhesion during the thermal treatment and catalytic tests and modified the catalyst crystalline phases. A chemical reaction between Al corning from the foam and Mg in the coating occurred during calcination at high temperature leading to the formation of spinel phases in which rhodium is solved, together with some Rh2O3 and Rh. The metallic support was oxidized forming the corundum scale and chromium oxides, moreover t-Al2O3 was identified. For the Rh11.0Mg70.0Al19.0 catalyst the inclusion of Rh in the spinel phase decreased its reducibility in the H-2 pretreatment. The reduction continued during catalytic tests by feeding diluted CH4/O-2/He gas mixtures, evidenced by the catalyst activation. While under concentrated gas mixtures the deactivation occurred, probably by oxidation. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000345735200053 |
Publication Date |
2014-09-24 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
2155-5435 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
10.614 |
Times cited |
13 |
Open Access |
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Notes |
; The authors thank the scientists who assisted during the conducted experiments: D. Grolimund and C. N. Borca for the mu XRF/XRPD experiments performed at MicroXAS Beamline of SLS, M. Janousch for the mu XRF/XANES experiments at Phoenix Beamline of the SLS, M. Salome for the mu XRE/XANES experiments at ID21 Beamline of the ESRF, and I. Guerra for the FEG-SEM/EDS experiments at Granada University. Thanks must go to Porvair for supplying FeCrAlloy foams. The financial support from the Ministero per l'Istruzione, l'Universita e la Ricerca (MIUR, Roma, I) is gratefully acknowledged. ; |
Approved |
Most recent IF: 10.614; 2014 IF: 9.312 |
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Call Number |
UA @ admin @ c:irua:122215 |
Serial |
5820 |
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Author |
Janssens, K.; Dorrine, W.; van Espen, P. |
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Title |
The development process of an expert system for the automated interpretation of large epma data sets |
Type |
A1 Journal article |
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Year |
1988 |
Publication |
Chemometrics and intelligent laboratory systems |
Abbreviated Journal |
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Volume |
4 |
Issue |
2 |
Pages |
147-161 |
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Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Chemometrics (Mitac 3) |
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Abstract |
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Address |
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Corporate Author |
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Thesis |
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Place of Publication |
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Language |
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Wos |
A1988Q148500007 |
Publication Date |
2002-07-25 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0169-7439 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
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Times cited |
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Open Access |
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Notes |
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Approved |
no |
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Call Number |
UA @ admin @ c:irua:149775 |
Serial |
5872 |
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Author |
Hamidi-Asl, E.; Dardenne, F.; Pilehvar, S.; Blust, R.; De Wael, K. |
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Title |
Unique properties of core shell Ag@Au nanoparticles for the aptasensing of bacterial cells |
Type |
A1 Journal article |
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Year |
2016 |
Publication |
Chemosensors |
Abbreviated Journal |
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Volume |
4 |
Issue |
3 |
Pages |
16 |
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Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Abstract |
In this article, it is shown that the efficiency of an electrochemical aptasensing device is influenced by the use of different nanoparticles (NPs) such as gold nanoparticles (Au), silver nanoparticles (Ag), hollow gold nanospheres (HGN), hollow silver nanospheres (HSN), silvergold core shell (Ag@Au), goldsilver core shell (Au@Ag), and silvergold alloy nanoparticles (Ag/Au). Among these nanomaterials, Ag@Au core shell NPs are advantageous for aptasensing applications because the core improves the physical properties and the shell provides chemical stability and biocompatibility for the immobilization of aptamers. Self-assembly of the NPs on a cysteamine film at the surface of a carbon paste electrode is followed by the immobilization of thiolated aptamers at these nanoframes. The nanostructured (Ag@Au) aptadevice for Escherichia coli as a target shows four times better performance in comparison to the response obtained at an aptamer modified planar gold electrode. A comparison with other (core shell) NPs is performed by cyclic voltammetry and differential pulse voltammetry. Also, the selectivity of the aptasensor is investigated using other kinds of bacteria. The synthesized NPs and the morphology of the modified electrode are characterized by UV-Vis absorption spectroscopy, scanning electron microscopy, energy dispersive X-ray analysis, and electrochemical impedance spectroscopy. |
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Thesis |
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Publisher |
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Place of Publication |
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Wos |
000382480000006 |
Publication Date |
2016-08-29 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
2227-9040 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
|
Times cited |
9 |
Open Access |
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Notes |
; Ezat Hamidi-Asl was financially supported by Belspo (University of Antwerp). The authors are thankful to Femke De Croock for her technical support and to Stanislav Trashin for his worthwhile comments on the manuscript. ; |
Approved |
Most recent IF: NA |
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Call Number |
UA @ admin @ c:irua:135411 |
Serial |
5886 |
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Author |
Rindby, A.; Engström, P.; Janssens, K. |
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Title |
The use of scanning X-ray microprobe for simultaneous XRF/XRD studies of fly-ash particles |
Type |
A3 Journal article |
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Year |
1997 |
Publication |
Journal of synchotron radiation |
Abbreviated Journal |
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Volume |
4 |
Issue |
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Pages |
228-235 |
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Keywords |
A3 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Wos |
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Publication Date |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
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ISBN |
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Additional Links |
UA library record |
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Impact Factor |
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Times cited |
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Open Access |
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Notes |
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Approved |
Most recent IF: NA |
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Call Number |
UA @ admin @ c:irua:21714 |
Serial |
5899 |
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Author |
Van Eynde, E.; Lenaerts, B.; Tytgat, T.; Verbruggen, S.W.; Hauchecorne, B.; Blust, R.; Lenaerts, S. |
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Title |
Effect of pretreatment and temperature on the properties of Pinnularia biosilica frustules |
Type |
A1 Journal article |
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Year |
2014 |
Publication |
RSC advances |
Abbreviated Journal |
Rsc Adv |
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Volume |
4 |
Issue |
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Pages |
56200-56206 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
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Abstract |
Diatoms are unicellular microalgae that self-assemble an intricate porous silica cell wall, called frustule. Diatom frustules possess a unique combination of physical and chemical properties (chemical inertness, high mechanical strength, large surface area, low density, good porosity and highly ordered features on the nano-to-micro scale) making diatom frustules suited for many nanotechnological applications. For most proposed applications the organic material covering the frustules needs to be removed. In this paper we investigate the effect of different frustule cleaning methods (drying, autoclavation, SDS/EDTA treatment, H2O2 treatment and HNO3 treatment) and subsequent heat treatment at different temperatures (105 °C, 350 °C, 550 °C and 750 °C) on the material characteristics of the diatom Pinnularia sp. Material characteristics under study are morphology, surface area, pore size, elemental composition and organic content. The cleaned Pinnularia frustules are subsequently investigated as adsorbents to remove methylene blue (MB) from aqueous solution. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000344997800060 |
Publication Date |
2014-10-23 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
2046-2069 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.108 |
Times cited |
10 |
Open Access |
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Notes |
; ; |
Approved |
Most recent IF: 3.108; 2014 IF: 3.840 |
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Call Number |
UA @ admin @ c:irua:121377 |
Serial |
5945 |
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| Permanent link to this record |
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Author |
Jammaer, J.; Aprile, C.; Verbruggen, S.W.; Lenaerts, S.; Pescarmona, P.P.; Martens, J.A. |
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Title |
A non-aqueous synthesis of TiO2SiO2 composites in supercritical CO2 for the photodegradation of pollutants |
Type |
A1 Journal article |
| |
Year |
2011 |
Publication |
Chemsuschem |
Abbreviated Journal |
Chemsuschem |
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| |
Volume |
4 |
Issue |
10 |
Pages |
1457-1463 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
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Abstract |
Titania/silica composites with different Ti/Si ratios are synthesized via a nonconventional synthesis route. The synthesis involves non-aqueous reaction of metal alkoxides and formic acid at 75 °C in supercritical carbon dioxide. The as-prepared composite materials contain nanometer-sized anatase crystallites and amorphous silica. Large specific surface areas are obtained. The composites are evaluated in the photocatalytic degradation of phenol in aqueous medium, and in the elimination of acetaldehyde from air. The highest photocatalytic activity in both processes is achieved with a composite containing 40 wt % TiO2. |
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Place of Publication |
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Wos |
000296497400010 |
Publication Date |
2011-05-20 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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| |
ISSN |
1864-5631 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
7.226 |
Times cited |
15 |
Open Access |
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Notes |
; The authors acknowledge sponsorship from CECAT and Methusalem (long-term financing of the Flemish government). We thank Dr. E. Gobechiya for assistance with XRD measurements and A. Lemaire for assistance with mercury porosimetry measurements. ; |
Approved |
Most recent IF: 7.226; 2011 IF: 6.827 |
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Call Number |
UA @ admin @ c:irua:93363 |
Serial |
5973 |
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| Permanent link to this record |
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Author |
Creemers, S.; Van Passel, S.; Vigani, M.; Vlahos, G. |
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Title |
Relationship between farmers' perception of sustainability and future farming strategies : a commodity-level comparison |
Type |
A1 Journal article |
| |
Year |
2019 |
Publication |
AIMS Agriculture and Food |
Abbreviated Journal |
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| |
Volume |
4 |
Issue |
3 |
Pages |
613-642 |
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Keywords |
A1 Journal article; Engineering Management (ENM) |
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Abstract |
The environmental challenges have become increasingly integrated into the European Union's Common Agricultural Policy (CAP). The Europe 2020 CAP Framework defines new rules for farmers and targets on innovation, resource efficiency, economic viability, and environmental sustainability. Given the continual evolution of the CAP, it is relevant to focus on sustainable agriculture and which indicators can be employed to aid our understanding of the future farming strategies. This study examines the relationship between perceived sustainability and future farming strategies for three different commodities: sugar beet, dairy, and feta cheese. Survey data collected between 2017-2018 from 191 Belgian sugar beet farmers, 524 dairy farmers (from UK, Denmark, France, and Latvia), and 150 Greek sheep and goat farmers producing milk for feta cheese were analysed using multinomial logistic regressions. Our results show that the farmers' attitude towards sustainability affects intentions to implement specific farming strategies. Belgian sugar beet farmers who perceive their supply chain arrangements (SCAs) environmentally sustainable are less likely to reduce the scale of their farms' operations rather than to maintain them. Dairy farmers are more likely to change the existing scale than to maintain scale if they perceive that production choices affect environmental sustainability to a higher extent. Dairy farmers who perceive their SCAs economically sustainable are less likely to abandon farming. Greek sheep and goat farmers who perceive their SCAs economically sustainable are more likely to expand the existing scale. The observed differences at commodity-level show the importance of well targeted policy measures towards more sustainable farming systems in the European Union. |
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Corporate Author |
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Place of Publication |
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Wos |
000488251600009 |
Publication Date |
2019-08-08 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
2471-2086 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
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Impact Factor |
|
Times cited |
1 |
Open Access |
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Notes |
; This research was performed within the frame of the EU's HORIZON 2020 project SUFISA with the grant agreement number 635577. The authors want to thank colleagues from the SUFISA project for stimulating and inspiring discussions on this topic. In particular we would like to thank all the participants of the 2019 SUFISA final conference at the Jagiellonian University of Krakow for fruitful discussions. ; |
Approved |
Most recent IF: NA |
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| |
Call Number |
UA @ admin @ c:irua:163832 |
Serial |
6242 |
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| Permanent link to this record |
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Author |
Biely, K.; Mathijs, E.; Van Passel, S. |
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Title |
Causal loop diagrams to systematically analyze market power in the Belgian sugar value chain |
Type |
A1 Journal article |
| |
Year |
2019 |
Publication |
AIMS Agriculture and Food |
Abbreviated Journal |
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Volume |
4 |
Issue |
3 |
Pages |
711-730 |
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Keywords |
A1 Journal article; Engineering Management (ENM) |
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Abstract |
It has been acknowledged that power is a fundamental aspect that needs to be considered when performing a value chain analysis. The structure of the value chain is indicative of the power distribution along the chain. By employing systems thinking the structure of the value chain can be further investigated and inferences on market power issues can be made. This novel approach connects value chain research with insights from Industrial Organization (IO) literature. Depending on the case, market power may not be measurable by traditional economic tools. Systems thinking offers an alternative tool, allowing the employment of qualitative and quantitative data, overcoming drawbacks of IO methods and providing more depth to value chain analysis. In this paper the valuable contribution of systems thinking to market power analysis is exemplified by the Belgian sugar beet case. The analysis showed that transportability and perishability of sugar beet are key causes of market failure in the Belgian sugar value chain. Systems thinking can support understanding potential future behavior of the market based on the thorough understanding of the current market structure. We illustrate how to integrate factors determining the market structure into causal loop diagrams. This novel approach allows a comprehensive evaluation and thus opens up market power analysis to interdisciplinary research. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000488251600014 |
Publication Date |
2019-08-09 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
2471-2086 |
ISBN |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
|
Times cited |
|
Open Access |
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Notes |
; This research was performed within the frame of the EU's HORIZON 2020 project SUFISA with the grant agreement number 635577. The authors want to thank colleagues from the SUFISA project for stimulating and inspiring discussions on this topic. ; |
Approved |
Most recent IF: NA |
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Call Number |
UA @ admin @ c:irua:163833 |
Serial |
6165 |
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Author |
Daems, N.; De Mot, B.; Choukroun, D.; Van Daele, K.; Li, C.; Hubin, A.; Bals, S.; Hereijgers, J.; Breugelmans, T. |
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Title |
Nickel-containing N-doped carbon as effective electrocatalysts for the reduction of CO2 to CO in a continuous-flow electrolyzer |
Type |
A1 Journal article |
| |
Year |
2019 |
Publication |
Sustainable energy & fuels |
Abbreviated Journal |
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| |
Volume |
4 |
Issue |
4 |
Pages |
1296-1311 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Applied Electrochemistry & Catalysis (ELCAT) |
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Abstract |
Nickel-containing N-doped carbons were synthesized for the electrochemical reduction of CO2 to CO, which is a promising approach to reduce the atmospheric CO2 levels and its negative impact on the environment. Unfortunately, poor performance (activity, selectivity and/or stability) is still a major hurdle for the economical implementation of this type of materials. The electrocatalysts were prepared through an easily up-scalable and easily tunable method based on the pyrolysis of Ni-containing N-doped carbons. Ni–N–AC–B1 synthesized with a high relative amount of nitrogen and nickel with respect to carbon, was identified as the most promising candidate for this reaction based on its partial CO current density (4.2 mA cm−2), its overpotential (0.57 V) and its faradaic efficiency to CO (>99%). This results in unprecedented values for the current density per g active sites (690 A g−1 active sites). Combined with its decent stability and its high performance in an actual electrolyzer setup, this makes it a promising candidate for the electrochemical reduction of CO2 to CO on a larger scale. Finally, the evaluation of this kind of material in a flow-cell setup has been limited and to the best of our knowledge never included an evaluation of several crucial parameters (e.g. electrolyte type, anode composition and membrane type) and is an essential investigation in the move towards up-scaling and ultimately industrial application of this technique. This study resulted in an optimal cell configuration, consisting of Pt as an anode, Fumatech® as the membrane and 1 M KHCO3 and 2 M KOH as catholyte and anolyte, respectively. In conclusion, this research offers a unique combination of electrocatalyst development and reactor optimization. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000518690900030 |
Publication Date |
2019-12-20 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
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ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
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Times cited |
14 |
Open Access |
OpenAccess |
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Notes |
; The authors acknowledge sponsoring from the research foundation of Flanders (FWO) in the frame of a post-doctoral grant (12Y3919N – ND). J. Hereijgers was supported through a postdoctoral fellowship (28761) of the Research Foundation Flanders (FWO). This project was co-funded by the Interreg 2 Seas-Program 2014-2020, co-.nanced by the European Fund for Regional Development in the frame of subsidiary contract nr 2S03-019. This work was further performed in the framework of the Catalisti cluster SBO project CO2PERATE (“All renewable CCU based on formic acid integrated in an industrial microgrid”), with the.nancial support of VLAIO (Flemish Agency for Innovation and Entrepreneurship). This project.nally received funding from the European Research Council (ERC Consolidator Grant 815128, REALNANO). We thank Karen Leyssens for helping with the N<INF>2</INF> physisorption measurements and Kitty Baert (VUB) for analyzing the samples with XPS and Raman. ; sygma |
Approved |
Most recent IF: NA |
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Call Number |
UA @ admin @ c:irua:165482 |
Serial |
6311 |
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Author |
Chen, B.; Gauquelin, N.; Reith, P.; Halisdemir, U.; Jannis, D.; Spreitzer, M.; Huijben, M.; Abel, S.; Fompeyrine, J.; Verbeeck, J.; Hilgenkamp, H.; Rijnders, G.; Koster, G. |
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Title |
Thermal-strain-engineered ferromagnetism of LaMnO3/SrTiO3 heterostructures grown on silicon |
Type |
A1 Journal article |
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Year |
2020 |
Publication |
Physical review materials |
Abbreviated Journal |
Phys. Rev. Materials |
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Volume |
4 |
Issue |
2 |
Pages |
024406 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
The integration of oxides on Si remains challenging, which largely hampers the practical applications of oxide-based electronic devices with superior performance. Recently, LaMnO3/SrTiO3 (LMO/STO) heterostructures have gained renewed interest for the debating origin of the ferromagnetic-insulating ground state as well as for their spin-filter applications. Here we report on the structural and magnetic properties of high-quality LMO/STO heterostructures grown on silicon. The chemical abruptness across the interface was investigated by atomic-resolution scanning transmission electron microscopy. The difference in the thermal expansion coefficients between LMO and Si imposed a large biaxial tensile strain to the LMO film, resulting in a tetragonal structure with c/a∼ 0.983. Consequently, we observed a significantly suppressed ferromagnetism along with an enhanced coercive field, as compared to the less distorted LMO film (c/a∼1.004) grown on STO single crystal. The results are discussed in terms of tensile-strain enhanced antiferromagnetic instabilities. Moreover, the ferromagnetism of LMO on Si sharply disappeared below a thickness of 5 unit cells, in agreement with the LMO/STO case, pointing to a robust critical behavior irrespective of the strain state. Our results demonstrate that the growth of oxide films on Si can be a promising way to study the tensile-strain effects in correlated oxides, and also pave the way towards the integration of multifunctional oxides on Si with atomic-layer control. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Language |
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Wos |
000513552900003 |
Publication Date |
2020-02-12 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
2475-9953 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.4 |
Times cited |
6 |
Open Access |
Not_Open_Access |
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Notes |
Nederlandse Organisatie voor Wetenschappelijk Onderzoek; Universiteit Antwerpen; Vlaamse regering; Fonds Wetenschappelijk Onderzoek, G093417N ; Javna Agencija za Raziskovalno Dejavnost RS, J2-9237 P2-0091 ; European Commission, H2020-ICT-2016-1-732642 ; |
Approved |
Most recent IF: 3.4; 2020 IF: NA |
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Call Number |
EMAT @ emat @c:irua:167782 |
Serial |
6375 |
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| Permanent link to this record |
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Author |
Araizi-Kanoutas, G.; Geessinck, J.; Gauquelin, N.; Smit, S.; Verbeek, X.H.; Mishra, S.K.; Bencok, P.; Schlueter, C.; Lee, T.-L.; Krishnan, D.; Fatermans, J.; Verbeeck, J.; Rijnders, G.; Koster, G.; Golden, M.S. |
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Title |
Co valence transformation in isopolar LaCoO3/LaTiO3 perovskite heterostructures via interfacial engineering |
Type |
A1 Journal article |
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Year |
2020 |
Publication |
Physical review materials |
Abbreviated Journal |
Phys. Rev. Materials |
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Volume |
4 |
Issue |
2 |
Pages |
026001 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
We report charge transfer up to a single electron per interfacial unit cell across nonpolar heterointerfaces from the Mott insulator LaTiO3 to the charge transfer insulator LaCoO3. In high-quality bi- and trilayer systems grown using pulsed laser deposition, soft x-ray absorption, dichroism, and scanning transmission electron microscopy-electron energy loss spectroscopy are used to probe the cobalt-3d electron count and provide an element-specific investigation of the magnetic properties. The experiments show the cobalt valence conversion is active within 3 unit cells of the heterointerface, and able to generate full conversion to 3d7 divalent Co, which displays a paramagnetic ground state. The number of LaTiO3/LaCoO3 interfaces, the thickness of an additional, electronically insulating “break” layer between the LaTiO3 and LaCoO3, and the LaCoO3 film thickness itself in trilayers provide a trio of control knobs for average charge of the cobalt ions in LaCoO3, illustrating the efficacy of O−2p band alignment as a guiding principle for property design in complex oxide heterointerfaces. |
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Corporate Author |
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Place of Publication |
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Wos |
000513551200007 |
Publication Date |
2020-02-10 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
2475-9953 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.4 |
Times cited |
13 |
Open Access |
OpenAccess |
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Notes |
Nederlandse Organisatie voor Wetenschappelijk Onderzoek; Universiteit Antwerpen; Horizon 2020, 730872 ; Department of Science and Technology, Ministry of Science and Technology, SR/NM/Z-07/2015 ; Jawaharlal Nehru Centre for Advanced Scientific Research; |
Approved |
Most recent IF: 3.4; 2020 IF: NA |
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Call Number |
EMAT @ emat @c:irua:167787 |
Serial |
6376 |
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Author |
Chaves, A.; Azadani, J.G.; Alsalman, H.; da Costa, D.R.; Frisenda, R.; Chaves, A.J.; Song, S.H.; Kim, Y.D.; He, D.; Zhou, J.; Castellanos-Gomez, A.; Peeters, F.M.; Liu, Z.; Hinkle, C.L.; Oh, S.-H.; Ye, P.D.; Koester, S.J.; Lee, Y.H.; Avouris, P.; Wang, X.; Low, T. |
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Title |
Bandgap engineering of two-dimensional semiconductor materials |
Type |
A1 Journal article |
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Year |
2020 |
Publication |
npj 2D Materials and Applications |
Abbreviated Journal |
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Volume |
4 |
Issue |
1 |
Pages |
29-21 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
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Abstract |
Semiconductors are the basis of many vital technologies such as electronics, computing, communications, optoelectronics, and sensing. Modern semiconductor technology can trace its origins to the invention of the point contact transistor in 1947. This demonstration paved the way for the development of discrete and integrated semiconductor devices and circuits that has helped to build a modern society where semiconductors are ubiquitous components of everyday life. A key property that determines the semiconductor electrical and optical properties is the bandgap. Beyond graphene, recently discovered two-dimensional (2D) materials possess semiconducting bandgaps ranging from the terahertz and mid-infrared in bilayer graphene and black phosphorus, visible in transition metal dichalcogenides, to the ultraviolet in hexagonal boron nitride. In particular, these 2D materials were demonstrated to exhibit highly tunable bandgaps, achieved via the control of layers number, heterostructuring, strain engineering, chemical doping, alloying, intercalation, substrate engineering, as well as an external electric field. We provide a review of the basic physical principles of these various techniques on the engineering of quasi-particle and optical bandgaps, their bandgap tunability, potentials and limitations in practical realization in future 2D device technologies. |
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Wos |
000565588500001 |
Publication Date |
2020-08-24 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
2397-7132 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
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Times cited |
329 |
Open Access |
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Notes |
; Discussions and interactions with D.R. Reichman, F. Tavazza, N.M.R. Peres, and K. Choudhary are gratefully acknowledged. A.C. acknowledges financial support by CNPq, through the PRONEX/FUNCAP and PQ programs. This project has received funding from the European Research Council (ERC) under the European Union's Horizon 2020 research and innovation program (grant agreement No. 755655, ERCStG 2017 project 2D-TOPSENSE). Computational support from the Minnesota Supercomputing Institute (MSI) and EU Graphene Flagship funding (Grant Graphene Core 2, 785219) is acknowledged. R.F. acknowledges support from the Netherlands Organization for Scientific Research (NWO) through the research program Rubicon with project number 680-50-1515. D.H., J.Z., and X.W. acknowledge support by National Natural Science Foundation of China 61734003, 61521001, 61704073, 51861145202, and 61851401, and National Key Basic Research Program of China 2015CB921600 and 2018YFB2200500. J.Z. and Z.L. acknowledge support by RG7/18, MOE2017-T2-2-136, MOE2018-T3-1-002, and A*Star QTE program. S.H.S. and Y.H.L. acknowledge the support from IBS-R011-D1. Y.D.K. is supported by Samsung Research and Incubation Funding Center of Samsung Electronics under Project Number SRFC-TB1803-04. S.J.K acknowledges financial support by the National Science Foundation (NSF), under award DMR-1921629. T.L. and J.G.A. acknowledge funding support from NSF/DMREF under Grant Agreement No. 1921629. S.-H.O. acknowledges support from the U.S. National Science Foundation (NSF ECCS 1809723) and Samsung Global Research Outreach (GRO) project. ; |
Approved |
Most recent IF: NA |
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Call Number |
UA @ admin @ c:irua:172069 |
Serial |
6459 |
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Author |
Blay, V.; Galian, R.E.; Muresan, L.M.; Pancratov, D.; Pinyou, P.; Zampardi, G. |
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Title |
Research frontiers in energy-related materials and applications for 2020-2030 |
Type |
A1 Journal article |
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Year |
2020 |
Publication |
Advanced sustainable systems |
Abbreviated Journal |
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Volume |
4 |
Issue |
2 |
Pages |
1900145 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Abstract |
This article delineates the state of the art for several materials used in the harvest, conversion, and storage of energy, and analyzes the challenges to be overcome in the decade ahead for them to reach the market and benefit society. The materials covered have had a special interest in recent years and include perovskites, materials for batteries and supercapacitors, graphene, and materials for hydrogen production and storage. Looking at the common challenges for these different systems, scientists in basic research should carefully consider commercial requirements when designing new materials. These include cost and ease of synthesis, abundance of precursors, recyclability of spent devices, toxicity, and stability. Improvements in these areas deserve more attention, as they can help bridge the gap for these technologies and facilitate the creation of partnerships between academia and industry. These improvements should be pursued in parallel with the design of novel compositions, nanostructures, and devices, which have led most interest during the past decade. Research groups are encouraged to adopt a cross-disciplinary mindset, which may allow more efficient use of existing knowledge and facilitate breakthrough innovation in both basic and applied research of energy-related materials. |
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Place of Publication |
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Language |
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Wos |
000509006700001 |
Publication Date |
2020-01-24 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
2366-7486 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
7.1 |
Times cited |
2 |
Open Access |
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Notes |
; ; |
Approved |
Most recent IF: 7.1; 2020 IF: NA |
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Call Number |
UA @ admin @ c:irua:166561 |
Serial |
6595 |
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Author |
Lin, S.-C.; Kuo, C.-T.; Shao, Y.-C.; Chuang, Y.-D.; Geessinck, J.; Huijben, M.; Rueff, J.-P.; Graff, I.L.; Conti, G.; Peng, Y.; Bostwick, A.; Gullikson, E.; Nemsak, S.; Vailionis, A.; Gauquelin, N.; Verbeeck, J.; Ghiringhelli, G.; Schneider, C.M.; Fadley, C.S. |
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Title |
Two-dimensional electron systems in perovskite oxide heterostructures : role of the polarity-induced substitutional defects |
Type |
A1 Journal article |
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Year |
2020 |
Publication |
Physical review materials |
Abbreviated Journal |
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Volume |
4 |
Issue |
11 |
Pages |
115002 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
The discovery of a two-dimensional electron system (2DES) at the interfaces of perovskite oxides such as LaAlO3 and SrTiO3 has motivated enormous efforts in engineering interfacial functionalities with this type of oxide heterostructures. However, the fundamental origins of the 2DES are still not understood, e.g., the microscopic mechanisms of coexisting interface conductivity and magnetism. Here we report a comprehensive spectroscopic investigation on the depth profile of 2DES-relevant Ti 3d interface carriers using depthand element-specific techniques like standing-wave excited photoemission and resonant inelastic scattering. We found that one type of Ti 3d interface carriers, which give rise to the 2DES are located within three unit cells from the n-type interface in the SrTiO3 layer. Unexpectedly, another type of interface carriers, which are polarity-induced Ti-on-Al antisite defects, reside in the first three unit cells of the opposing LaAlO3 layer (similar to 10 angstrom). Our findings provide a microscopic picture of how the localized and mobile Ti 3d interface carriers distribute across the interface and suggest that the 2DES and 2D magnetism at the LaAlO3/SrTiO3 interface have disparate explanations as originating from different types of interface carriers. |
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Wos |
000592432200004 |
Publication Date |
2020-11-20 |
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Edition |
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ISSN |
2475-9953 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.4 |
Times cited |
7 |
Open Access |
OpenAccess |
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Notes |
; We thank G. M. De Luca and L. Braicovich for discussions. Charles S. Fadley was deceased on August 1, 2019. We are grateful for his significant contributions to this work. We thank Advanced Light Source for the access to Beamline 8.0.3 (qRIXS) via Proposal No. 09892 and beamline 7.0.2 (MAESTRO) via Proposal No. RA-00291 that contributed to the results presented here. We thank synchrotron SOLEIL (via Proposal No. 99180118) for the access to Beamline GALAXIES. This work was supported by the U.S. Department of Energy (DOE) under Contract No. DE-AC02-05CH11231 (Advanced Light Source), and by DOE Contract No. DE-SC0014697 through the University of California, Davis (S.-C.L., C.-T.K, and C.S.F.), and from the Julich Research Center, Peter Grunberg Institute, PGI-6. I. L. G. wishes to thank Brazilian scientific agencies CNPQ (Project No. 200789/2017-1) and CAPES (CAPES-PrInt-UFPR) for their financial support. J.V. and N.G. acknowledge funding from the Geconcentreerde Onderzoekacties (GOA) project “Solarpaint” of the University of Antwerp and the European Union's horizon 2020 research and innovation program ES-TEEM3 under grant agreement no 823717. The Qu-Ant-EM microscope used in this study was partly funded by the Hercules fund from the Flemish Government. ; esteem3TA; esteem3reported |
Approved |
Most recent IF: 3.4; 2020 IF: NA |
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Call Number |
UA @ admin @ c:irua:174316 |
Serial |
6713 |
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Author |
Herzog, M.J.; Gauquelin, N.; Esken, D.; Verbeeck, J.; Janek, J. |
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Title |
Increased Performance Improvement of Lithium-Ion Batteries by Dry Powder Coating of High-Nickel NMC with Nanostructured Fumed Ternary Lithium Metal Oxides |
Type |
A1 Journal article |
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Year |
2021 |
Publication |
ACS applied energy materials |
Abbreviated Journal |
ACS Appl. Energy Mater. |
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Volume |
4 |
Issue |
9 |
Pages |
8832-8848 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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Abstract |
Dry powder coating is an effective approach to protect the surfaces of layered cathode active materials (CAMs) in lithium-ion batteries. Previous investigations indicate an incorporation of lithium ions in fumed Al2O3, ZrO2, and TiO2 coatings on LiNi0.7Mn0.15Co0.15O2 during cycling, improving the cycling performance. Here, this coating approach is transferred for the first time to fumed ternary LiAlO2, Li4Zr3O8, and Li4Ti5O12 and directly compared with their lithium-free equivalents. All materials could be processed equally and their nanostructured small aggregates accumulate on the CAM surfaces to quite homogeneous coating layers with a certain porosity. The LiNixMnyCozO2 (NMC) coated with lithium-containing materials shows an enhanced improvement in overall capacity, capacity retention, rate performance, and polarization behavior during cycling, compared to their lithium-free analogues. The highest rate performance was achieved with the fumed ZrO2 coating, while the best long-term cycling stability with the highest absolute capacity was obtained for the fumed LiAlO2-coated NMC. The optimal coating agent for NMC to achieve a balanced system is fumed Li4Ti5O12, providing a good compromise between high rate capability and good capacity retention. The coating agents prevent CAM particle cracking and degradation in the order LiAlO2 ≈ Al2O3 > Li4Ti5O12 > Li4Zr3O8 > ZrO2 > TiO2. A schematic model for the protection and electrochemical performance enhancement of high-nickel NMC with fumed metal oxide coatings is sketched. It becomes apparent that physical and chemical characteristics of the coating significantly influence the performance of NMC. A high degree of coating-layer porosity is favorable for the rate capability, while a high coverage of the surface, especially in vulnerable grain boundaries, enhances the long-term cycling stability and improves the cracking behavior of NMCs. While zirconium-containing coatings possess the best chemical properties for high rate performances, aluminum-containing coatings feature a superior chemical nature to protect high-nickel NMCs. |
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Wos |
000703338600018 |
Publication Date |
2021-09-27 |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
2574-0962 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
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Times cited |
15 |
Open Access |
OpenAccess |
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Notes |
For his support in scanning electron microscopy analysis, the authors thank Erik Peldszus. N. G. and J. V. acknowledge funding from GOA project “Solarpaint” of the University of Antwerp and from the Flemish Research Fund (FWO) project G0F1320N. The Qu-Ant-EM microscope and the direct electron detector were partly funded by the Hercules fund from the Flemish Government |
Approved |
Most recent IF: NA |
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Call Number |
EMAT @ emat @c:irua:183949 |
Serial |
6823 |
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Author |
Abakumov, A.M.; Li, C.; Boev, A.; Aksyonov, D.A.; Savina, A.A.; Abakumova, T.A.; Van Tendeloo, G.; Bals, S. |
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Title |
Grain boundaries as a diffusion-limiting factor in lithium-rich NMC cathodes for high-energy lithium-ion batteries |
Type |
A1 Journal article |
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Year |
2021 |
Publication |
ACS applied energy materials |
Abbreviated Journal |
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Volume |
4 |
Issue |
7 |
Pages |
6777-6786 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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Abstract |
High-energy lithium-rich layered transition metal oxides are capable of delivering record electrochemical capacity and energy density as positive electrodes for Li-ion batteries. Their electrochemical behavior is extremely complex due to sophisticated interplay between crystal structure, electronic structure, and defect structure. Here we unravel an extra level of this complexity by revealing that the most typical representative Li1.2Ni0.13Mn0.54Co0.13O2 material, prepared by a conventional coprecipitation technique with Na2CO3 as a precipitating agent, contains abundant coherent (001) grain boundaries with a Na-enriched P2-structured block due to segregation of the residual sodium traces. The trigonal prismatic oxygen coordination of Na triggers multiple nanoscale twinning, giving rise to incoherent (104) boundaries. The cationic layers at the (001) grain boundaries are filled with transition metal cations being Mn-depleted and Co-enriched; this makes them virtually not permeable for the Li+ cations, and therefore they negatively influence the Li diffusion in and out of the spherical agglomerates. These results demonstrate that besides the mechanisms intrinsic to the crystal and electronic structure of Li-rich cathodes, their rate capability might also be depreciated by peculiar microstructural aspects. Dedicated engineering of grain boundaries opens a way for improving inherently sluggish kinetics of these materials. |
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Wos |
000678382900042 |
Publication Date |
2021-07-02 |
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ISSN |
2574-0962 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
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Times cited |
4 |
Open Access |
OpenAccess |
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Notes |
We thank Dr. M. V. Berekchiian (MSU) for assisting in ICPMS measurements. We acknowledge Russian Science Foundation (Grant 20-43-01012) and Research Foundation Flanders (FWO Vlaanderen, Project No. G0F1320N) for financial support. |
Approved |
Most recent IF: NA |
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Call Number |
UA @ admin @ c:irua:180556 |
Serial |
6841 |
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Author |
Heyvaert, W.; Pedrazo-Tardajos, A.; Kadu, A.; Claes, N.; González-Rubio, G.; Liz-Marzán, L.M.; Albrecht, W.; Bals, S. |
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Title |
Quantification of the Helical Morphology of Chiral Gold Nanorods |
Type |
A1 Journal article |
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Year |
2022 |
Publication |
ACS materials letters |
Abbreviated Journal |
ACS Materials Lett. |
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Volume |
4 |
Issue |
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Pages |
642-649 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
Chirality in inorganic nanoparticles and nanostructures has gained increasing scientific interest, because of the possibility to tune their ability to interact differently with left- and right-handed circularly polarized light. In some cases, the optical activity is hypothesized to originate from a chiral morphology of the nanomaterial. However, quantifying the degree of chirality in objects with sizes of tens of nanometers is far from straightforward. Electron tomography offers the possibility to faithfully retrieve the three-dimensional morphology of nanomaterials, but only a qualitative interpretation of the morphology of chiral nanoparticles has been possible so far. We introduce herein a methodology that enables us to quantify the helicity of complex chiral nanomaterials, based on the geometrical properties of a helix. We demonstrate that an analysis at the single particle level can provide significant insights into the origin of chiroptical properties. |
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Wos |
000784490000013 |
Publication Date |
2022-03-08 |
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Series Editor |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
2639-4979 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
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Times cited |
11 |
Open Access |
OpenAccess |
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Notes |
S.B. and A.P.-T. gratefully acknowledge funding by the European Research Council (ERC Consolidator Grant #815128-REALNANO) the European Union’s Horizon 2020 research and innovation program under grant agreement #823717ESTEEM3. L.M.L.-M. acknowledges funding from MCIN/ AEI /10.13039/501100011033, grant # PID2020- 117779RB-I00 and the Maria de Maeztu Units of Excellence Program from the Spanish State Research Agency (Grant No. MDM-2017-0720). G.G.-R. thanks the Spanish Spanish Ministerio de Ciencia e Innovación for an FPI (BES-2014- 068972) fellowship.; SygmaSB; esteem3reported; esteem3jra |
Approved |
Most recent IF: NA |
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Call Number |
EMAT @ emat @c:irua:186959 |
Serial |
6956 |
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