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Records |
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Author |
Hadermann, J.; Abakumov, A.M. |
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Title |
Structure solution and refinement of metal-ion battery cathode materials using electron diffraction tomography |
Type |
A1 Journal article |
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Year  |
2019 |
Publication |
And Materials |
Abbreviated Journal |
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Volume |
75 |
Issue |
4 |
Pages |
485-494 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
The applicability of electron diffraction tomography to the structure solution and refinement of charged, discharged or cycled metal-ion battery positive electrode (cathode) materials is discussed in detail. As these materials are often only available in very small amounts as powders, the possibility of obtaining single-crystal data using electron diffraction tomography (EDT) provides unique access to crucial information complementary to X-ray diffraction, neutron diffraction and high-resolution transmission electron microscopy techniques. Using several examples, the ability of EDT to be used to detect lithium and refine its atomic position and occupancy, to solve the structure of materials ex situ at different states of charge and to obtain in situ data on structural changes occurring upon electrochemical cycling in liquid electrolyte is discussed. |
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Wos |
000480512600002 |
Publication Date |
2019-08-05 |
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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 |
2 |
Open Access |
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Notes |
; The following funding is acknowledged: Fonds Wetenschappelijk Onderzoek (grant No. G040116N); Russian Foundation of Basic Research (grant No. 17-03-00370-a). ; |
Approved |
Most recent IF: NA |
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Call Number |
UA @ admin @ c:irua:161846 |
Serial |
5397 |
| Permanent link to this record |
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Author |
Retuerto, M.; Calle-Vallejo, F.; Pascual, L.; Lumbeeck, G.; Fernandez-Diaz, M.T.; Croft, M.; Gopalakrishnan, J.; Pena, M.A.; Hadermann, J.; Greenblatt, M.; Rojas, S. |
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Title |
La1.5Sr0.5NiMn0.5Ru0.5O6 double perovskite with enhanced ORR/OER bifunctional catalytic activity |
Type |
A1 Journal article |
| |
Year |
2019 |
Publication |
ACS applied materials and interfaces |
Abbreviated Journal |
Acs Appl Mater Inter |
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Volume |
11 |
Issue |
24 |
Pages |
21454-21464 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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Abstract |
Perovskites (ABO(3)) with transition metals in active B sites are considered alternative catalysts for the water oxidation to oxygen through the oxygen evolution reaction (OER) and for the oxygen reduction through the oxygen reduction reaction (ORR) back to water. We have synthesized a double perovskite (A(2)BB'O-6) with different cations in A, B, and B' sites, namely, ((La15Sr0.5)-Sr-.)(A)(Ni0.5Mn0.5)(B)(Ni0.5Ru0.5)(B)O-6 (LSNMR), which displays an outstanding OER/ORR bifunctional performance. The composition and structure of the oxide has been determined by powder X-ray diffraction, powder neutron diffraction, and transmission electron microscopy to be monoclinic with the space group P2(1)/n and with cationic ordering between the ions in the B and B' sites. X-ray absorption near-edge spectroscopy suggests that LSNMR presents a configuration of similar to Ni2+, similar to Mn4+, and similar to Ru5+. This bifunctional catalyst is endowed with high ORR and OER activities in alkaline media, with a remarkable bifunctional index value of similar to 0.83 V (the difference between the potentials measured at -1 mA cm(-2) for the ORR and +10 mA cm(-2) for the OER). The ORR onset potential (E-onset) of 0.94 V is among the best reported to date in alkaline media for ORR-active perovskites. The ORR mass activity of LSNMR is 1.1 A g(-1) at 0.9 V and 7.3 A g(-1) at 0.8 V. Furthermore, LSNMR is stable in a wide potential window down to 0.05 V. The OER potential to achieve a current density of 10 mA cm(-2) is 1.66 V. Density functional theory calculations demonstrate that the high ORR/OER activity of LSNMR is related to the presence of active Mn sites for the ORR- and Ru-active sites for the OER by virtue of the high symmetry of the respective reaction steps on those sites. In addition, the material is stable to ORR cycling and also considerably stable to OER cycling. |
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Place of Publication |
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Editor |
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Language |
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Wos |
000472683300019 |
Publication Date |
2019-05-30 |
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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 |
1944-8244 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
7.504 |
Times cited |
12 |
Open Access |
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Notes |
; This work was supported by the ENE2016-77055-C3-3-R project from the Spanish Ministry of Economy and Competitiveness (MINECO) and PIE 201480E122 from CSIC. M.R. thanks MINECO's Juan de la Cierva program for a grant (FPDI-2013-17582). F.C.-V. thanks the Spanish MEC for a Ramon y Cajal research contract (RYC-2015-18996). M.G. acknowledges the support from NSF-DMR-1507252 grant, NJ, USA. ; |
Approved |
Most recent IF: 7.504 |
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Call Number |
UA @ admin @ c:irua:161320 |
Serial |
5400 |
| Permanent link to this record |
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Author |
Bafekry, A.; Mortazavic, B.; Shayesteh, S.F. |
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Title |
Band gap and magnetism engineering in Dirac half-metallic Na2C nanosheet via layer thickness, strain and point defects |
Type |
A1 Journal article |
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Year |
2019 |
Publication |
Journal of magnetism and magnetic materials |
Abbreviated Journal |
J Magn Magn Mater |
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Volume |
491 |
Issue |
491 |
Pages |
165565 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Na2C is a novel two-dimensional material with Dirac Half-metal (DHM) characteristic, exhibiting a combination of single-spin massless Dirac fermions and half-semimetal. In this paper based on the first-principles calculations, we studied the mechanical, electronic, magnetic and optical properties of Na2C nanosheet. The elastic modulus of Na2C was measured to 18.5 N/m and isotropic, whereas it shows anisotropic tensile strengths of 2.85 and 2.04 N/m, for the loading along the zigzag and armchair directions, respectively. We found that Na2C, is a DHM with band gap of 0.7 eV in the up-spin channel and has 2 mu(B) magnetic moment per unit cell. In addition, we investigated the effects of number of atomic layers (thickness), electric field and strain on the possibility of further tuning of the electronic and magnetic properties of Na2C. Our calculations show that by increasing the number of layers from monolayer to bulk, a transition from DHM to ferromagnetic metal occurs with a high magnetic moments in the range of 16-30 mu(B). With applying an electric field on the Na2C bilayer (within the ferromagnetic and anti-ferromagnetic orders), energy band gap is slightly increased. In addition our results indicate that the electronic structure can be significantly modified by applying the mechanical straining. In this regard, under the biaxial strain (from 0% to – 8%) or large uniaxial strains (> – 6%), we observed the DHM to ferromagnetic-metal transition. Moreover, vacancy defects and atom substitutions can also effect the electronic and magnetic properties of Na2C nanosheet. Defective Na2C with single and double vacancies, was found to show the metallic response. With various atom substitutions this nanosheet exhibits; ferromagnetic-metal (Si and Be) with 5.2 and 3 mu(B); dilute-magnetic semiconductor (B and N) with 3 and 7 mu(B) magnetic moments, respectively. In the case of B or N atoms replacing the native C atom, the down-spin channel yields about 1 eV band gap. Interestingly, replacing the Na atoms in the native Na2C lattice with the Li can result in the formation of magnetic topological insulator phase with nontrivial band gap in the down-spin channel (25 meV and 0.15 eV) and up-spin channel (0.75 eV), in addition exhibit 8 mu(B) magnetic moment in the ground state. |
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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 |
000486396100010 |
Publication Date |
2019-07-15 |
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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 |
0304-8853 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.63 |
Times cited |
13 |
Open Access |
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Notes |
; B. M. appreciates the funding by the Deutsche Forschungsgemeinschaft (DFG, German Research Foundation) under Germanys Excellence Strategy within the Cluster of Excellence PhoenixD (EXC 2122, Project ID 390833453). We acknowledge OpenMX team for OpenMX code. ; |
Approved |
Most recent IF: 2.63 |
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Call Number |
UA @ admin @ c:irua:163697 |
Serial |
5408 |
| Permanent link to this record |
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Author |
Bafekry, A.; Stampfl, C.; Shayesteh, S.F.; Peeters, F.M. |
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Title |
Exploiting the novel electronic and magnetic structure of C3Nvia functionalization and conformation |
Type |
A1 Journal article |
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Year |
2019 |
Publication |
Advanced Electronic Materials |
Abbreviated Journal |
Adv Electron Mater |
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Volume |
5 |
Issue |
5 |
Pages |
1900459 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
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Abstract |
2D polyaniline, C3N, is of recent high interest due to its unusual properties and potential use in various technological applications. In this work, through systematic first-principles calculations, the atomic, electronic, and magnetic structure of C3N and the changes induced due to functionalization by the adsorption of hydrogen, oxygen, and fluorine, for different coverages and sites, as well as on formation of nanoribbons including the effect of adsorbed hydrogen and oxygen, and the effect of strain, are investigated. Among other interesting phenomena, for hydrogen adsorption, a semiconductor-to-topological insulator transition, where two Dirac-points appear around the Fermi level, as well as ferromagnetic ordering for both hydrogen and oxygen functionalization, is identified. Considering C3N nanoribbons, adsorption of H leads to significant changes in the electronic properties, such as transforming the structures from semiconductor to metallic. Furthermore, investigating the effect of strain on the physical properties, it is found that the band gap can be significantly altered and controlled. The present findings predict that a wide variation in the magnetic and electronic structure of C3N can be achieved by adatom functionalization and conformation indicating its high potential for use in various technological applications, ranging from catalysis, energy storage, and nanoelectronic devices. |
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Language |
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Wos |
000486528200001 |
Publication Date |
2019-09-13 |
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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 |
2199-160x |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
4.193 |
Times cited |
39 |
Open Access |
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Notes |
; This work was supported by the FLAG-ERA project 2DTRANS and the Flemish Science Foundation (FWO-Vl). In addition, we acknowledge the OpenMX team for OpenMX code. ; |
Approved |
Most recent IF: 4.193 |
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Call Number |
UA @ admin @ c:irua:162790 |
Serial |
5414 |
| Permanent link to this record |
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Author |
Van Pottelberge, R.; Moldovan, D.; Milovanović, S.P.; Peeters, F.M. |
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Title |
Molecular collapse in monolayer graphene |
Type |
A1 Journal article |
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Year |
2019 |
Publication |
2D materials |
Abbreviated Journal |
2D Mater |
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Volume |
6 |
Issue |
4 |
Pages |
045047 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Atomic collapse is a phenomenon inherent to relativistic quantum mechanics where electron states dive in the positron continuum for highly charged nuclei. This phenomenon was recently observed in graphene. Here we investigate a novel collapse phenomenon when multiple sub- and supercritical charges of equal strength are put close together as in a molecule. We construct a phase diagram which consists of three distinct regions: (1) subcritical, (2) frustrated atomic collapse, and (3) molecular collapse. We show that the single impurity atomic collapse resonances rearrange themselves to form molecular collapse resonances which exhibit a distinct bonding, anti-bonding and non-bonding character. Here we limit ourselves to systems consisting of two and three charges. We show that by tuning the distance between the charges and their strength a high degree of control over the molecular collapse resonances can be achieved. |
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Corporate Author |
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Publisher |
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Language |
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Wos |
000487692200003 |
Publication Date |
2019-08-30 |
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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 |
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 |
10 |
Open Access |
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Notes |
; We thank Matthias Van der Donck for fruitful discussions. This work was supported by the Research Foundation of Flanders (FWO-V1) through an aspirant research Grant for RVP and a postdoctoral Grant for SPM. ; |
Approved |
Most recent IF: 6.937 |
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Call Number |
UA @ admin @ c:irua:163756 |
Serial |
5422 |
| Permanent link to this record |
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Author |
Kirkwood, N.; De Backer, A.; Altantzis, T.; Winckelmans, N.; Longo, A.; Antolinez, F.V.; Rabouw, F.T.; De Trizio, L.; Geuchies, J.J.; Mulder, J.T.; Renaud, N.; Bals, S.; Manna, L.; Houtepen, A.J. |
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Title |
Locating and controlling the Zn content in In(Zn)P quantum dots |
Type |
A1 Journal article |
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Year |
2019 |
Publication |
Chemistry of materials |
Abbreviated Journal |
Chem Mater |
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Volume |
32 |
Issue |
32 |
Pages |
557-565 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
Zinc is routinely employed in the synthesis of InP quantum dots (QDs) to improve the photoluminescence efficiency and carrier mobility of the resulting In(Zn)P alloy nanostructures. The exact location of Zn in the final structures and the mechanism by which it enhances the optoelectronic properties of the QDs is debated. We use synchrotron X-ray absorbance spectroscopy to show that the majority of Zn in In(Zn)P QDs is located at their surface as Zn-carboxylates. However, a small amount of Zn is present inside the bulk of the QDs with the consequent contraction of their lattice, as confirmed by combining high resolution high-angle annular dark-field imaging scanning transmission electron microscopy (HAADF-STEM) with statistical parameter estimation theory. We further demonstrate that the Zn content and its incorporation into the QDs can be tuned by the ligation of commonly employed Zn carboxylate precursors: the use of highly reactive Zn-acetate leads to the formation of undesired Zn3P2 and the final nanostructures being characterized by broad optical features, whereas Zn-carboxylates with longer carbon chains lead to InP crystals with much lower zinc content and narrow optical features. These results can explain the differences between structural and optical properties of In(Zn)P samples reported across the literature, and provide a rational method to tune the amount of Zn in InP nanocrystals and to drive the incorporation of Zn either as surface Zn-carboxylate, as a substitutional dopant inside the InP crystal lattice, or even predominantly as Zn3P2. |
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Corporate Author |
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Language |
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Wos |
000507721600056 |
Publication Date |
2019-12-13 |
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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 |
0897-4756 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
9.466 |
Times cited |
39 |
Open Access |
OpenAccess |
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Notes |
A.J.H. acknowledges support from the European Research Council Horizon 2020 ERC Grant Agreement No. 678004 (Doping on Demand). This research is supported by the Dutch Technology Foundation TTW, which is part of The Netherlands Organization for Scientific Research (NWO), and which is partly funded by Ministry of Economic Affairs. SB acknowledges funding from the European Research Council (grant 815128 REALNANO). The authors gratefully acknowledge funding from the Research Foundation Flanders (FWO, Belgium) through project funding G.0381.16N and a postdoctoral grant to A.D.B. AJH, LM and JM acknowledge support from the H2020 Collaborative Project TEQ (Grant No. 766900).; sygma |
Approved |
Most recent IF: 9.466 |
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Call Number |
EMAT @ emat @c:irua:165234 |
Serial |
5438 |
| Permanent link to this record |
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Author |
Boyat, X.; Ballat-Durand, D.; Marteau, J.; Bouvier, S.; Favergeon, J.; Orekhov, A.; Schryvers, D. |
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Title |
Interfacial characteristics and cohesion mechanisms of linear friction welded dissimilar titanium alloys: Ti–5Al–2Sn–2Zr–4Mo–4Cr (Ti17) and Ti–6Al–2Sn–4Zr–2Mo (Ti6242) |
Type |
A1 Journal article |
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Year |
2019 |
Publication |
Materials characterization |
Abbreviated Journal |
Mater Charact |
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Volume |
158 |
Issue |
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Pages |
109942 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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Abstract |
A detailed microstructural examination endeavoring to understand the interfacial phenomena yielding to cohesion
in solid-state assembling processes was performed. This study focuses on the transition zone of a dissimilar
titanium alloy joint obtained by Linear Friction Welding (LFW) the β-metastable Ti17 to the near-α
Ti6242. The transition zone delimitating both alloys is characterized by a sharp microstructure change from
acicular HCP (Hexagonal Close-Packed) α′ martensitic laths in the Ti6242 to equiaxed BCC β (Body-Centered
Cubic) subgrains in the Ti17; these α′ plates were shown to precipitate within prior-β subgrains remarkably more
rotated than the ones formed in the Ti17. Both α′ and β microstructures were found to be intermingled within
transitional subgrains demarcating a limited gradient from one chemical composition to the other. These peculiar
interfacial grains revealed that the cohesive mechanisms between the rubbing surfaces occurred in the
single-phase β domain under severe strain and high-temperature conditions. During the hot deformation process,
the mutual migration of the crystalline interfaces from one material to another assisted by a continuous dynamic
recrystallization process was identified as the main adhesive mechanism at the junction zone. The latter led to
successful cohesion between the rubbing surfaces. Once the reciprocating motion stopped, fast cooling caused
both materials to experience either a βlean→α′ or βlean→βmetastable transformation in the interfacial zone depending
on their local chemical composition. The limited process time and the subsequent hindered chemical
homogenization at the transition zone led to retaining the so-called intermingled α’/βm subgrains constituting
the border between both Ti-alloys. |
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Place of Publication |
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Editor |
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Language |
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Wos |
000503314000018 |
Publication Date |
2019-10-16 |
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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 |
1044-5803 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.714 |
Times cited |
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Open Access |
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Notes |
The authors gratefully acknowledge the financial support of the French National Research Agency (ANR) through the OPTIMUM ANR- 14-CE27-0017 project. The authors would also like to thank the Hautsde- France Region and the European Regional Development Fund (ERDF) 2014/2020 for the co-funding of this work. The authors would also like to thank ACB for providing LFW samples as well as Airbus for their technical support. |
Approved |
Most recent IF: 2.714 |
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Call Number |
EMAT @ emat @c:irua:165084 |
Serial |
5441 |
| Permanent link to this record |
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Author |
Borah, R.; Verbruggen, S.W. |
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Title |
Coupled plasmon modes in 2D gold nanoparticle clusters and their effect on local temperature control |
Type |
A1 Journal article |
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Year |
2019 |
Publication |
The journal of physical chemistry: C : nanomaterials and interfaces |
Abbreviated Journal |
J Phys Chem C |
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Volume |
123 |
Issue |
50 |
Pages |
30594-30603 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
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Abstract |
Assemblies of closely separated gold nanoparticles exhibit a strong collective plasmonic response due to coupling of the plasmon modes of the individual nanostructures. In the context of self-assembly of nanoparticles, close-packed two-dimensional (2D) clusters of spherical nanoparticles present an important composite system that promises numerous applications. The present study probes the collective plasmonic characteristics and resulting photothermal behavior of close-packed 2D Au nanoparticle clusters to delineate the effects of the cluster size, interparticle distance, and particle size. Smaller nanoparticles (20 and 40 nm in diameter) that exhibit low individual scattering and high absorption were considered for their relevance to photothermal applications. In contrast to typical literature studies, the present study compares the optical response of clusters of different sizes ranging from a single nanoparticle up to large assemblies of 61 nanoparticles. Increasing the cluster size induces significant changes to the spectral position and optophysical characteristics. Based on the model outcome, an optimal cluster size for maximum absorption per nanoparticle is also determined for enhanced photothermal effects. The effect of the particle size and interparticle distance is investigated to elucidate the nature of interaction in terms of near-field and far-field coupling. The photothermal effect resulting from absorption is compared for different cluster sizes and interparticle distances considering a homogeneous water medium. A strong dependence of the steady-state temperature of the nanoparticles on the cluster size, particle position in the cluster, incident light polarization, and interparticle distance provides new physical insight into the local temperature control of plasmonic nanostructures. |
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Wos |
000503919500061 |
Publication Date |
2019-11-20 |
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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 |
1932-7447; 1932-7455 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
4.536 |
Times cited |
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Open Access |
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Notes |
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Approved |
Most recent IF: 4.536 |
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Call Number |
UA @ admin @ c:irua:164530 |
Serial |
5938 |
| Permanent link to this record |
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Author |
Billet, J.; Vandewalle, S.; Meire, M.; Blommaerts, N.; Lommens, P.; Verbruggen, S.W.; De Buysser, K.; Du Prez, F.; Van Driesche, I. |
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Title |
Mesoporous TiO2 from poly(N,N-dimethylacrylamide)-b-polystyrene block copolymers for long-term acetaldehyde photodegradation |
Type |
A1 Journal article |
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Year |
2019 |
Publication |
Journal of materials science |
Abbreviated Journal |
J Mater Sci |
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Volume |
55 |
Issue |
55 |
Pages |
1933-1945 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
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Abstract |
Although already some mesoporous (2–50 nm) sol–gel TiO2 synthesis strategies exist, no pore size control beyond the 12 nm range is possible without using specialized organic structure-directing agents synthetized via controlled anionic/radical polymerizations. Here, we present the use of reversible addition–fragmentation chain transfer (RAFT) polymerization as a straightforward and industrial applicable alternative to the existing controlled polymerization methods for structure-directing agent synthesis. Poly(N,N-dimethylacrylamide)-block-polystyrene (PDMA-b-PS) block copolymer, synthesized via RAFT, was chosen as structure-directing agent for the formation of the mesoporous TiO2. Crack-free thin layers TiO2 with tunable pores from 8 to 45 nm could be acquired. For the first time, in a detailed and systematic approach, the influence of the block size and dispersity of the block copolymer is experimentally screened for their influence on the final meso-TiO2 layers. As expected, the mesoporous TiO2 pore sizes showed a clear correlation to the polystyrene block size and the dispersity of the PDMA-b-PS block copolymer. Surprisingly, the dispersity of the polymer was shown not to be affecting the standard deviation of the pores. As a consequence, RAFT could be seen as a viable alternative to the aforementioned controlled polymerization reactions for the synthesis of structure-directing agents enabling the formation of mesoporous pore size-controlled TiO2. To examine the photocatalytic activity of the mesoporous TiO2 thin layers, the degradation of acetaldehyde, a known indoor pollutant, was studied. Even after 3 years of aging, the TiO2 thin layer retained most of its activity. |
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Place of Publication |
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Wos |
000494929300001 |
Publication Date |
2019-11-05 |
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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 |
0022-2461 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.599 |
Times cited |
2 |
Open Access |
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| |
Notes |
; Ghent University is acknowledged for funding the research presented in this paper. M. Meire and S. W. Verbruggen acknowledge the FWO-Flanders (Fund for Scientific Research-Flanders) for financial support. The authors thank Bernhard De Meyer for the SEC analysis, Hannes Rijckaert for the cross-sectional analysis, Tom Planckaert for BET analysis of the meso-TiO<INF>2</INF> powders, Jeroen Kint for the porosiellipsometry tests and Frank Driessen for the MALDI-TOF analysis. ; |
Approved |
Most recent IF: 2.599 |
| |
Call Number |
UA @ admin @ c:irua:163842 |
Serial |
5969 |
| Permanent link to this record |
| |
|
| |
|
Author |
Rezaei, F.; Vanraes, P.; Nikiforov, A.; Morent, R.; De Geyter, N. |
| |
Title |
Applications of plasma-liquid systems : a review |
Type |
A1 Journal article |
| |
Year |
2019 |
Publication |
Materials |
Abbreviated Journal |
Materials |
| |
Volume |
12 |
Issue |
17 |
Pages |
2751 |
| |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| |
Abstract |
Plasma-liquid systems have attracted increasing attention in recent years, owing to their high potential in material processing and nanoscience, environmental remediation, sterilization, biomedicine, and food applications. Due to the multidisciplinary character of this scientific field and due to its broad range of established and promising applications, an updated overview is required, addressing the various applications of plasma-liquid systems till now. In the present review, after a brief historical introduction on this important research field, the authors aimed to bring together a wide range of applications of plasma-liquid systems, including nanomaterial processing, water analytical chemistry, water purification, plasma sterilization, plasma medicine, food preservation and agricultural processing, power transformers for high voltage switching, and polymer solution treatment. Although the general understanding of plasma-liquid interactions and their applications has grown significantly in recent decades, it is aimed here to give an updated overview on the possible applications of plasma-liquid systems. This review can be used as a guide for researchers from different fields to gain insight in the history and state-of-the-art of plasma-liquid interactions and to obtain an overview on the acquired knowledge in this field up to now. |
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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 |
|
Editor |
|
| |
Language |
|
Wos |
000488880300104 |
Publication Date |
2019-08-27 |
| |
Series Editor |
|
Series Title |
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Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
| |
ISSN |
1996-1944 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| |
Impact Factor |
2.654 |
Times cited |
4 |
Open Access |
|
| |
Notes |
|
Approved |
Most recent IF: 2.654 |
| |
Call Number |
UA @ admin @ c:irua:163805 |
Serial |
6285 |
| Permanent link to this record |
| |
|
| |
|
Author |
Sirotina, A.P.; Callaert, C.; Volykhov, A.A.; Frolov, A.S.; Sanchez-Barriga, J.; Knop-Gericke, A.; Hadermann, J.; Yashina, L.V. |
| |
Title |
Mechanistic studies of gas reactions with multicomponent solids : what can we learn by combining NAP XPS and atomic resolution STEM/EDX? |
Type |
A1 Journal article |
| |
Year |
2019 |
Publication |
The journal of physical chemistry: C : nanomaterials and interfaces |
Abbreviated Journal |
J Phys Chem C |
| |
Volume |
123 |
Issue |
43 |
Pages |
26201-26210 |
| |
Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
| |
Abstract |
Rapid development of experimental techniques has enabled real time studies of solid gas reactions at the level reaching the atomic scale. In the present paper, we focus on a combination of atomic resolution STEM/EDX, which visualizes the reaction zone, and near ambient pressure (NAP) XPS, which collects information for a surface layer of variable thickness under reaction conditions. We compare the behavior of two affined topological insulators, Bi2Te3 and Sb2Te3. We used a simple reaction with molecular oxygen occurring at 298 K, which is of practical importance to avoid material degradation. Despite certain limitations, a combination of in situ XPS and ex situ cross-sectional STEM/EDX allowed us to obtain a self-consistent picture of the solid gas reaction mechanism for oxidation of Sb2Te3 and Bi2Te3 crystals, which includes component redistribution between the oxide and the subsurface layer and Te segregation with formation of a thin ordered layer at the interface. The process is multistep in case of both compounds. At the very beginning of the oxidation process the reactivity is determined by the energy benefit of the corresponding element oxygen bond formation. Further in the oxidation process, the behavior of these two compounds becomes similar and features component redistribution between the oxide and the subsurface layer. |
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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 |
000493865700019 |
Publication Date |
2019-10-03 |
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Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
| |
ISSN |
1932-7447; 1932-7455 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| |
Impact Factor |
4.536 |
Times cited |
|
Open Access |
|
| |
Notes |
|
Approved |
Most recent IF: 4.536 |
| |
Call Number |
UA @ admin @ c:irua:164664 |
Serial |
6310 |
| Permanent link to this record |
| |
|
| |
|
Author |
Eren, I.; Ozen, S.; Sozen, Y.; Yagmurcukardes, M.; Sahin, H. |
| |
Title |
Vertical van der Waals heterostructure of single layer InSe and SiGe |
Type |
A1 Journal article |
| |
Year |
2019 |
Publication |
The journal of physical chemistry: C : nanomaterials and interfaces |
Abbreviated Journal |
J Phys Chem C |
| |
Volume |
123 |
Issue |
51 |
Pages |
31232-31237 |
| |
Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
| |
Abstract |
We present a first-principles investigation on the stability, electronic structure, and mechanical response of ultrathin heterostructures composed of single layers of InSe and SiGe. First, by performing total energy optimization and phonon calculations, we show that single layers of InSe and SiGe can form dynamically stable heterostructures in 12 different stacking types. Valence and conduction band edges of the heterobilayers form a type-I heterojunction having a tiny band gap ranging between 0.09 and 0.48 eV. Calculations on elastic-stiffness tensor reveal that two mechanically soft single layers form a heterostructure which is stiffer than the constituent layers because of relatively strong interlayer interaction. Moreover, phonon analysis shows that the bilayer heterostructure has highly Raman active modes at 205.3 and 43.7 cm(-1), stemming from the out-of-plane interlayer mode and layer breathing mode, respectively. Our results show that, as a stable type-I heterojunction, ultrathin heterobilayer of InSe/SiGe holds promise for nanoscale device applications. |
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Address |
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Corporate Author |
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Thesis |
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| |
Publisher |
|
Place of Publication |
|
Editor |
|
| |
Language |
|
Wos |
000505632900050 |
Publication Date |
2019-12-03 |
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
| |
ISSN |
1932-7447; 1932-7455 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| |
Impact Factor |
4.536 |
Times cited |
|
Open Access |
|
| |
Notes |
|
Approved |
Most recent IF: 4.536 |
| |
Call Number |
UA @ admin @ c:irua:165718 |
Serial |
6332 |
| Permanent link to this record |
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| |
|
Author |
Siriwardane, E.M.D.; Demiroglu, I.; Sevik, C.; Cakir, D. |
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Title |
Achieving Fast Kinetics and Enhanced Li Storage Capacity for Ti3C2O2 by Intercalation of Quinone Molecules |
Type |
A1 Journal article |
| |
Year |
2019 |
Publication |
ACS applied energy materials |
Abbreviated Journal |
|
| |
Volume |
2 |
Issue |
2 |
Pages |
1251-1258 |
| |
Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
| |
Abstract |
Using first-principles calculations, we demonstrated that high lithium storage capacity and fast kinetics are achieved for Ti3C2O2 by preintercalating organic molecules. As a proof-of-concept, two different quinone molecules, namely 1,4-benzoquinone (C6H4O2) and tetrafluoro-1,4-benzoquinone (C6F4O2) were selected as the molecular linkers to demonstrate the feasibility of this interlayer engineering strategy for energy storage. As compared to Ti3C2O2 bilayer without linker molecules, our pillared structures facilitate a much faster ion transport, promising a higher charge/discharge rate for Li. For example, while the diffusion barrier of a single Li ion within pristine Ti3C2O2 bilayer is at least 1.0 eV, it becomes 0.3 eV in pillared structures, which is comparable and even lower than that of commercial materials. At high Li concentrations, the calculated diffusion barriers are as low as 0.4 eV. Out-of-plane migration of Li ions is hindered due to large barrier energy with a value of around 1-1.35 eV. Concerning storage capacity, we can only intercalate one monolayer of Li within pristine Ti3C2O2 bilayer. In contrast, pillared structures offer significantly higher storage capacity. Our calculations showed that at least two layers of Li can be intercalated between Ti3C2O2 layers without forming bulk Li and losing the pillared structure upon Li loading/unloading. A small change in the in-plane lattice parameters (<0.5%) and volume (<1.0%) and ab initio molecular dynamics simulations prove the stability of the pillared structures against Li intercalation and thermal effects. Intercalated molecules avoid the large contraction/expansion of the whole structure, which is one of the key problems in electrochemical energy storage. Pillared structures allow us to realize electrodes with high capacity and fast kinetics. Our results open new research paths for improving the performance of not only MXenes but also other layered materials for supercapacitor and battery 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 |
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Editor |
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Language |
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Wos |
000459948900037 |
Publication Date |
2019-01-04 |
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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 |
|
Series Issue |
|
Edition |
|
| |
ISSN |
2574-0962 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
|
Times cited |
|
Open Access |
|
| |
Notes |
|
Approved |
no |
| |
Call Number |
UA @ admin @ c:irua:193759 |
Serial |
7414 |
| Permanent link to this record |
| |
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| |
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Author |
Yorulmaz, B.; Ozden, A.; Sar, H.; Ay, F.; Sevik, C.; Perkgoz, N.K. |
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Title |
CVD growth of monolayer WS2 through controlled seed formation and vapor density |
Type |
A1 Journal article |
| |
Year |
2019 |
Publication |
Materials science in semiconductor processing |
Abbreviated Journal |
|
| |
Volume |
93 |
Issue |
|
Pages |
158-163 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| |
Abstract |
Large area, single layer WS2 has a high potential for use in optoelectrical devices with its high photo-luminescence intensity and low response time. In this work, we demonstrate a systematic study of controlled tungsten disulfide (WS2) monolayer growth using chemical vapor deposition (CVD) technique. With a detailed investigation of process parameters such as H-2 gas inclusion into the main carrier gas, growth temperature and duration, we have gained insight into two-dimensional (2D) WS2 synthesis through controlling the seed formations and the radical vapor density associated with WO3. We confirm that H-2 gas, when included to the carrier gas, is directly involved in WO3 reduction due to its reductive reagent nature, which provides a more effective sulfurization and monolayer formation process. Additionally, by changing the CVD growth configuration, hence, increasing the tungsten related vapor density and confining the reactant radicals, we succeed in realizing larger WS(2 )monolayers, which is still a technological challenge in order to utilize these structures for practical applications. Further optimization of the growth procedure is demonstrated by tuning the growth duration to prevent the excess seed formations and additional layers which will possibly limit the device performance of the monolayer flakes or films when applied. |
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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 |
000457727300018 |
Publication Date |
2019-01-09 |
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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 |
|
Series Issue |
|
Edition |
|
| |
ISSN |
1369-8001 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| |
Impact Factor |
|
Times cited |
|
Open Access |
|
| |
Notes |
|
Approved |
no |
| |
Call Number |
UA @ admin @ c:irua:193782 |
Serial |
7748 |
| Permanent link to this record |
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| |
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Author |
Osella, S.; Knippenberg, S. |
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Title |
Laurdan as a molecular rotor in biological environments |
Type |
A1 Journal article |
| |
Year |
2019 |
Publication |
ACS applied bio materials |
Abbreviated Journal |
|
| |
Volume |
2 |
Issue |
12 |
Pages |
5769-5778 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| |
Abstract |
Laurdan is one of the most used fluorescent probes for lipid membrane phase recognition. Despite its wide use for optical techniques and its versatility as a solvatochromic probe, little is known regarding its use as molecular rotor, for which clear evidence is found in the current study. Although recent computational and experimental studies suggest the existence of two stable conformations of laurdan in different membrane phases, it is difficult to experimentally probe their prevalence. By means of multiscale computational approaches, we prove now that this information can be obtained through the optical properties of the two conformers, ranging from one-photon absorption over two-photon absorption to the first hyperpolarizability. Fluorescence decay and anisotropy analyses are performed as well and stress the importance of laurdan's conformational versatility. As a molecular rotor and with reference to the distinct properties of its conformers, laurdan can be used to probe biochemical processes that change the lipid orders in cell membranes. |
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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 |
000616372300047 |
Publication Date |
2019-11-22 |
| |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
| |
ISSN |
2576-6422 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| |
Impact Factor |
|
Times cited |
|
Open Access |
|
| |
Notes |
|
Approved |
no |
| |
Call Number |
UA @ admin @ c:irua:180356 |
Serial |
8166 |
| Permanent link to this record |
| |
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| |
|
Author |
Peeters, B.; Daems, D.; Van der Donck, T.; Delport, F.; Lammertyn, J. |
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Title |
Real-time FO-SPR monitoring of solid-phase DNAzyme cleavage activity for cutting-edge biosensing |
Type |
A1 Journal article |
| |
Year |
2019 |
Publication |
ACS applied materials and interfaces |
Abbreviated Journal |
|
| |
Volume |
11 |
Issue |
7 |
Pages |
6759-6768 |
| |
Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Abstract |
DNA nanotechnology has a great potential in biosensor design including nanostructuring of the biosensor surface through DNA origami, target recognition by means of aptamers, and DNA-based signal amplification strategies. In this paper, we use DNA nanotechnology to describe for the first time the concept of real-time solid-phase monitoring of DNAzyme cleavage activity for the detection of specific single-stranded DNA (ssDNA) with a fiber optic surface plasmon resonance (FO-SPR) biosensor. Hereto, we first developed a robust ligation strategy for the functionalization of the FO-SPR biosensing surface with ssDNA-tethered gold nanoparticles, serving as the substrate for the DNAzyme. Next, we established a relation between the SPR signal change, due to the cleavage activity of the 10–23 DNAzyme, and the concentration of the DNAzyme, showing faster cleavage kinetics for higher DNAzyme concentrations. Finally, we implemented this generic concept for biosensing of ssDNA target in solution. Hereto, we designed a DNAzyme–inhibitor complex, consisting of an internal loop structure complementary to the ssDNA target, that releases active DNAzyme molecules in a controlled way as a function of the target concentration. We demonstrated reproducible target detection with a theoretical limit of detection of 1.4 nM, proving that the presented ligation strategy is key to a universal DNAzyme-based FO-SPR biosensing concept with promising applications in the medical and agrofood sector. |
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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 |
|
Wos |
000459642200008 |
Publication Date |
2019-01-25 |
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
| |
ISSN |
1944-8244 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| |
Impact Factor |
|
Times cited |
|
Open Access |
|
| |
Notes |
|
Approved |
no |
| |
Call Number |
UA @ admin @ c:irua:160132 |
Serial |
8457 |
| Permanent link to this record |
| |
|
| |
|
Author |
Zankowski, S.P.; Van Hoecke, L.; Mattelaer, F.; de Raedt, M.; Richard, O.; Detavernier, C.; Vereecken, P.M. |
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Title |
Redox layer deposition of thin films of MnO2 on nanostructured substrates from aqueous solutions |
Type |
A1 Journal article |
| |
Year |
2019 |
Publication |
Chemistry of materials |
Abbreviated Journal |
|
| |
Volume |
31 |
Issue |
13 |
Pages |
4805-4816 |
| |
Keywords |
A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL) |
| |
Abstract |
In this work, we report a new method for depositing thin films of MnO2 on planar and complex nanostructured surfaces, with high precision and conformality. The method is based on repeating cycles of adsorption of an unsaturated alcohol on a surface, followed by its oxidation with aqueous KMnO4 and formation of thin, solid MnO2. The amount of manganese oxide formed in each cycle is limited by the quantity of the adsorbed alcohol; thus, the growth exhibits the self-limiting characteristics of atomic layer deposition (ALD). Contrary to the typical ALD, however, the new redox layer deposition is performed in air, at room temperature, using common chemicals and simple laboratory glassware, which greatly reduces its cost and complexity. We also demonstrate application of the method for the fabrication of a nanostructured MnO2/Ni electrode, which was not possible with thermal ALD because of the rapid decomposition of the gaseous precursor on the high surface-area substrate. Thanks to its simplicity, the conformal deposition of MnO2 can be easily upscaled and thus exploited for its numerous (electro)chemical 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 |
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Editor |
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Language |
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Wos |
000475408400021 |
Publication Date |
2019-06-12 |
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
| |
ISSN |
0897-4756; 1520-5002 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| |
Impact Factor |
|
Times cited |
|
Open Access |
|
| |
Notes |
|
Approved |
no |
| |
Call Number |
UA @ admin @ c:irua:161225 |
Serial |
8465 |
| Permanent link to this record |
| |
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| |
|
Author |
Kenawy, A.; Magnus, W.; Milošević, M.V.; Sorée, B. |
| |
Title |
Voltage-controlled superconducting magnetic memory |
Type |
A1 Journal article |
| |
Year |
2019 |
Publication |
AIP advances
T2 – 64th Annual Conference on Magnetism and Magnetic Materials (MMM), NOV 04-08, 2019, Las Vegas, NV |
Abbreviated Journal |
|
| |
Volume |
9 |
Issue |
12 |
Pages |
125223 |
| |
Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
| |
Abstract |
Over the past few decades, superconducting circuits have been used to realize various novel electronic devices such as quantum bits, SQUIDs, parametric amplifiers, etc. One domain, however, where superconducting circuits fall short is information storage. Superconducting memories are based on the quantization of magnetic flux in superconducting loops. Standard implementations store information as magnetic flux quanta in a superconducting loop interrupted by two Josephson junctions (i.e., a SQUID). However, due to the large inductance required, the size of the SQUID loop cannot be scaled below several micrometers, resulting in low-density memory chips. Here, we propose a scalable memory consisting of a voltage-biased superconducting ring threaded by a half-quantum flux bias. By numerically solving the time-dependent Ginzburg-Landau equations, we show that applying a time-dependent bias voltage in the microwave range constitutes a writing mechanism to change the number of stored flux quanta within the ring. Since the proposed device does not require a large loop inductance, it can be scaled down, enabling a high-density memory technology. (C) 2019 Author(s). |
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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 |
000515525300002 |
Publication Date |
2019-12-20 |
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
| |
ISSN |
2158-3226 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
| |
Impact Factor |
|
Times cited |
|
Open Access |
|
| |
Notes |
|
Approved |
no |
| |
Call Number |
UA @ admin @ c:irua:167551 |
Serial |
8740 |
| Permanent link to this record |
| |
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| |
|
Author |
Liao, T.-W.; Verbruggen, S.; Claes, N.; Yadav, A.; Grandjean, D.; Bals, S.; Lievens, P. |
| |
Title |
TiO2 Films Modified with Au Nanoclusters as Self-Cleaning Surfaces under Visible Light |
Type |
A1 Journal article |
| |
Year |
2018 |
Publication |
Nanomaterials |
Abbreviated Journal |
Nanomaterials-Basel |
| |
Volume |
8 |
Issue |
8 |
Pages |
30 |
| |
Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Sustainable Energy, Air and Water Technology (DuEL) |
| |
Abstract |
In this study, we applied cluster beam deposition (CBD) as a new approach for fabricating efficient plasmon-based photocatalytic materials. Au nanoclusters (AuNCs) produced in the gas phase were deposited on TiO2 P25-coated silicon wafers with coverage ranging from 2 to 8 atomic monolayer (ML) equivalents. Scanning Electron Microscopy (SEM) images of the AuNCs modified TiO2 P25 films show that the surface is uniformly covered by the AuNCs that remain isolated at low coverage (2 ML, 4 ML) and aggregate at higher coverage (8 ML). A clear relationship between AuNCs coverage and photocatalytic activity towards stearic acid photo-oxidation was measured, both under ultraviolet and green light illumination. TiO2 P25 covered with 4 ML AuNCs showed the best stearic acid photo-oxidation performance under green light illumination (Formal Quantum Efficiency 1.6 x 10-6 over a period of 93 h). These results demonstrate the large potential of gas-phase AuNCs beam deposition technology for the fabrication of visible light active plasmonic photocatalysts. |
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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 |
000424131600030 |
Publication Date |
2018-01-08 |
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
| |
ISSN |
2079-4991 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| |
Impact Factor |
3.553 |
Times cited |
29 |
Open Access |
OpenAccess |
| |
Notes |
The research leading to these results has received funding from the European Union’s Seventh Framework Programme (FP7/2007-2013) under grant agreement n 607417 (Catsense). We also thank the Research Foundation—Flanders (FWO, Belgium), the Flemish Concerted Action (BOF KU Leuven, Project No. GOA/14/007) research program, and the microscope was partly funded by the Hercules Fund from the Flemish Government for the support. N.C. and S.B. acknowledge financial support from European Research Council (ERC Starting Grant #335078-COLOURATOM). ECAS_Sara (ROMEO:green; preprint:; postprint:can ; pdfversion:can); |
Approved |
Most recent IF: 3.553 |
| |
Call Number |
EMAT @ emat @c:irua:147898UA @ admin @ c:irua:147898 |
Serial |
4805 |
| Permanent link to this record |
| |
|
| |
|
Author |
Winckelmans, N.; Altantzis, T.; Grzelczak, M.; Sánchez-Iglesias, A.; Liz-Marzán, L.M.; Bals, S. |
| |
Title |
Multimode Electron Tomography as a Tool to Characterize the Internal Structure and Morphology of Gold Nanoparticles |
Type |
A1 Journal article |
| |
Year |
2018 |
Publication |
The journal of physical chemistry: C : nanomaterials and interfaces |
Abbreviated Journal |
J Phys Chem C |
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Volume |
122 |
Issue |
122 |
Pages |
13522-13528 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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Abstract |
Three dimensional (3D) characterization of structural defects in nanoparticles by transmission electron microscopy is far from straightforward. We propose the use of a dose-efficient approach, so-called multimode tomography, during which tilt series of low and high angle annular dark field scanning transmission electron microscopy projection images are acquired simultaneously. In this manner, not only reliable information can be obtained concerning the shape of the nanoparticles, but also the twin planes can be clearly visualized in 3D. As an example, we demonstrate the application of this approach to identify the position of the seeds with respect to the twinning planes in anisotropic gold nanoparticles synthesized using a seed mediated growth approach. |
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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 |
000437811500036 |
Publication Date |
2018-01-16 |
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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 |
1932-7447 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
4.536 |
Times cited |
23 |
Open Access |
OpenAccess |
| |
Notes |
S.B. and N.W. acknowledge funding from the European Research Council under the Seventh Framework Program (FP7), ERC Grant No. 335078 COLOURATOM. S.B. and T.A. acknowledge financial support from the Research Foundation Flanders (FWO, Belgium) through project fundings (G.0369.15N and G.0218.14N) and a postdoctoral research grant to T.A. L.M.L.-M. and M.G. acknowledge funding from the Spanish Ministerio de Economía y Competitividad (grant MAT2013-46101-R). L.M.L.-M. and S.B. acknowledge funding from the European Commission (grant EUSMI 731019). (ROMEO:white; preprint:; postprint:restricted 12 months embargo; pdfversion:cannot); saraecas; ECAS_Sara; |
Approved |
Most recent IF: 4.536 |
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Call Number |
EMAT @ emat @c:irua:148164UA @ admin @ c:irua:148164 |
Serial |
4807 |
| Permanent link to this record |
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Author |
Yang, Z.; Altantzis, T.; Bals, S.; Tendeloo, G.V.; Pileni, M.-P. |
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Title |
Do Binary Supracrystals Enhance the Crystal Stability? |
Type |
A1 Journal article |
| |
Year |
2018 |
Publication |
The journal of physical chemistry: C : nanomaterials and interfaces |
Abbreviated Journal |
J Phys Chem C |
| |
Volume |
122 |
Issue |
122 |
Pages |
13515-13521 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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Abstract |
We study the oxygen thermal stability of two binary
systems. The larger particles are magnetic amorphous Co (7.2 nm) or
Fe3O4 (7.5 nm) nanocrystals, whereas the smaller ones (3.7 nm) are
Au nanocrystals. The nanocrystal ordering as well as the choice of the
magnetic nanoparticles very much influence the stability of the binary
system. A perfect crystalline structure is obtained with the Fe3O4/Au
binary supracrystals. For the Co/Au binary system, oxidation of Co
results in the chemical transformation from Co to CoO, where the size
of the amorphous Co nanoparticles increases from 7.2 to 9.8 nm in
diameter. During the volume expansion of the Co nanoparticles, Au
nanoparticles within the binary assemblies coalesce and are at the
origin of the instability of the binary nanoparticle supracrystals. On the
other hand, for the Fe3O4/Au binary system, the oxidation of Fe3O4 to
γ-Fe2O3 does not lead to a size change of the nanoparticles, which
maintains the stability of the binary nanoparticle supracrystals. A similar behavior is observed for an AlB2-type Co−Ag binary
system: The crystalline structure is maintained, whereas in disordered assemblies, coalescence of Ag nanocrystals is observed. |
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Place of Publication |
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Editor |
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Language |
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Wos |
000437811500035 |
Publication Date |
2018-01-30 |
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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 |
1932-7447 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
4.536 |
Times cited |
5 |
Open Access |
OpenAccess |
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Notes |
The research leading to these results has been supported by an Advanced Grant of the European Research Council under Grant 267129. The authors appreciate financial support by the European Union under the Framework 7 program under a contract for an Integrated Infrastructure Initiative (Reference No. 262348 ESMI). S.B. acknowledges funding from ERC Starting Grant COLOURATOMS (335078). T.A. acknowledges a postdoctoral grant from the Research Foundation Flanders (FWO, Belgium). (ROMEO:white; preprint:; postprint:restricted 12 months embargo; pdfversion:cannot); ecas_sara |
Approved |
Most recent IF: 4.536 |
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Call Number |
EMAT @ emat @c:irua:149388UA @ admin @ c:irua:149388 |
Serial |
4812 |
| Permanent link to this record |
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Author |
Li, L.; Liao, Z.; Gauquelin, N.; Minh Duc Nguyen; Hueting, R.J.E.; Gravesteijn, D.J.; Lobato, I.; Houwman, E.P.; Lazar, S.; Verbeeck, J.; Koster, G.; Rijnders, G. |
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Title |
Epitaxial stress-free growth of high crystallinity ferroelectric PbZr0.52Ti0.48O3 on GaN/AlGaN/Si(111) substrate |
Type |
A1 Journal article |
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Year |
2018 |
Publication |
Advanced Materials Interfaces |
Abbreviated Journal |
Adv Mater Interfaces |
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Volume |
5 |
Issue |
2 |
Pages |
1700921 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
<script type='text/javascript'>document.write(unpmarked('Due to its physical properties gallium-nitride (GaN) is gaining a lot of attention as an emerging semiconductor material in the field of high-power and high-frequency electronics applications. Therefore, the improvement in the performance and/or perhaps even extension in functionality of GaN based devices would be highly desirable. The integration of ferroelectric materials such as lead-zirconate-titanate (PbZrxTi1-xO3) with GaN has a strong potential to offer such an improvement. However, the large lattice mismatch between PZT and GaN makes the epitaxial growth of Pb(Zr1-xTix)O-3 on GaN a formidable challenge. This work discusses a novel strain relaxation mechanism observed when MgO is used as a buffer layer, with thicknesses down to a single unit cell, inducing epitaxial growth of high crystallinity Pb(Zr0.52Ti0.48)O-3 (PZT) thin films. The epitaxial PZT films exhibit good ferroelectric properties, showing great promise for future GaN device applications.')); |
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Place of Publication |
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Editor |
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Language |
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Wos |
000423173800005 |
Publication Date |
2017-11-27 |
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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 |
15 |
Open Access |
Not_Open_Access |
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Notes |
; L.L., Z.L.L., and N.G. contributed equally to this work. L.L. acknowledges financial support from Nano Next NL (Grant no. 7B 04). The authors acknowledge NXP for providing the GaN/AlGaN/Si (111) wafer. N.G. acknowledges funding from the Geconcentreerde Onderzoekacties (GOA) project “Solarpaint” of the University of Antwerp and J.V. acknowledges funding from the Research Foundation Flanders (FWO, Belgium) project 42/FA070100/6088 “nieuwe eigenschappen in complexe Oxides.” N.G. acknowledges the EUROTAPES project (FP7-NMP.2011.2.2-1 Grant no. 280432) which partly funded this study. ; |
Approved |
Most recent IF: 4.279 |
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Call Number |
UA @ lucian @ c:irua:148427UA @ admin @ c:irua:148427 |
Serial |
4872 |
| Permanent link to this record |
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Author |
Moldovan, D.; Masir, M.R.; Peeters, F.M. |
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Title |
Magnetic field dependence of the atomic collapse state in graphene |
Type |
A1 Journal article |
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Year |
2018 |
Publication |
2D materials |
Abbreviated Journal |
2D Mater |
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Volume |
5 |
Issue |
1 |
Pages |
015017 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
<script type='text/javascript'>document.write(unpmarked('Quantum electrodynamics predicts that heavy atoms (Z \u003E Z(c) approximate to 170) will undergo the process of atomic collapse where electrons sink into the positron continuum and a new family of so-called collapsing states emerges. The relativistic electrons in graphene exhibit the same physics but at a much lower critical charge (Z(c) approximate to 1) which has made it possible to confirm this phenomenon experimentally. However, there exist conflicting predictions on the effect of a magnetic field on atomic collapse. These theoretical predictions are based on the continuum Dirac-Weyl equation, which does not have an exact analytical solution for the interplay of a supercritical Coulomb potential and the magnetic field. Approximative solutions have been proposed, but because the two effects compete on similar energy scales, the theoretical treatment varies depending on the regime which is being considered. These limitations are overcome here by starting from a tight-binding approach and computing exact numerical results. By avoiding special limit cases, we found a smooth evolution between the different regimes. We predict that the atomic collapse effect persists even after the magnetic field is activated and that the critical charge remains unchanged. We show that the atomic collapse regime is characterized: (1) by a series of Landau level anticrossings and (2) by the absence of root B scaling of the Landau levels with regard to magnetic field strength.')); |
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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 |
000415015000001 |
Publication Date |
2017-10-26 |
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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 |
; We thank Eva Andrei, Jinhai Mao and Yuhang Jiang for insightful discussions. This work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem Funding of the Flemish Government. ; |
Approved |
Most recent IF: 6.937 |
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Call Number |
UA @ lucian @ c:irua:147361UA @ admin @ c:irua:147361 |
Serial |
4884 |
| Permanent link to this record |
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Author |
Sathiya, M.; Jacquet, Q; Doublet, M.L; Karakulina, O.M.; Hadermann, J.; Tarascon, J.-M. |
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Title |
A Chemical Approach to Raise Cell Voltage and Suppress Phase Transition in O3 Sodium Layered Oxide Electrodes |
Type |
A1 Journal article |
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Year |
2018 |
Publication |
Advanced energy materials |
Abbreviated Journal |
Adv. Energy Mater. |
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Volume |
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Issue |
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Pages |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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Abstract |
Sodium ion batteries (NIBs) are one of the versatile technologies for lowcost rechargeable batteries. O3-type layered sodium transition metal oxides (NaMO2, M = transition metal ions) are one of the most promising positive electrode materials considering their capacity. However, the use of O3 phases is limited due to their low redox voltage and associated multiple phase transitions which are detrimental for long cycling. Herein, a simple strategy is proposed to successfully combat these issues. It consists of the introduction of a larger, nontransition metal ion Sn4+ in NaMO2 to prepare a series of NaNi0.5Mn0.5−y SnyO2 (y = 0–0.5) compositions with attractive electrochemical performances, namely for y = 0.5, which shows a single-phase transition from O3 ⇔ P3 at the very end of the oxidation process. Na-ion NaNi0.5Sn0.5O2/C coin cells are shown to deliver an average cell voltage of 3.1 V with an excellent capacity retention as compared to an average stepwise voltage of ≈2.8 V and limited capacity retention for the pure NaNi0.5Mn0.5O2 phase. This study potentially shows the way to manipulate the O3 NaMO2 for facilitating their practical use in NIBs. |
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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 |
000430163100013 |
Publication Date |
2018-01-11 |
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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 |
|
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
21.875 |
Times cited |
28 |
Open Access |
OpenAccess |
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Notes |
M.S. and Q.J. contributed equally to this work. The authors thank Dr. Daniel Alves Dalla Corte and Sujoy Saha for electronic conductivity measurements and Prof. Dominique Larcher for fruitful discussions. Q.J. thanks the ANR “Deli-Redox” for Ph.D. funding. J.-M.T. acknowledges funding from the European Research Council (ERC) (FP/2014)/ERC Grant-Project 670116-ARPEMA. TGA analysis by Matthieu Courty, LRCS, Amiens, is greatly acknowledged. J.H. and O.M.K. acknowledge funding from FWO Vlaanderen project G040116N. |
Approved |
Most recent IF: NA |
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Call Number |
EMAT @ emat @c:irua:149515 |
Serial |
4907 |
| Permanent link to this record |
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Author |
Heyne, M.H.; de Marneffe, J.-F.; Nuytten, T.; Meersschaut, J.; Conard, T.; Caymax, M.; Radu, I.; Delabie, A.; Neyts, E.C.; De Gendt, S. |
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Title |
The conversion mechanism of amorphous silicon to stoichiometric WS2 |
Type |
A1 Journal article |
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Year |
2018 |
Publication |
Journal of materials chemistry C : materials for optical and electronic devices |
Abbreviated Journal |
J Mater Chem C |
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Volume |
6 |
Issue |
15 |
Pages |
4122-4130 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
The deposition of ultra-thin tungsten films and their related 2D chalcogen compounds on large area dielectric substrates by gas phase reactions is challenging. The lack of nucleation sites complicates the adsorption of W-related precursors and subsequent sulfurization usually requires high temperatures. We propose here a technique in which a thin solid amorphous silicon film is used as reductant for the gas phase precursor WF6 leading to the conversion to metallic W. The selectivity of the W conversion towards the underlying dielectric surfaces is demonstrated. The role of the Si surface preparation, the conversion temperature, and Si thickness on the formation process is investigated. Further, the in situ conversion of the metallic tungsten into thin stoichiometric WS2 is achieved by a cyclic approach based on WF6 and H2S pulses at the moderate temperature of 450 1C, which is much lower than usual oxide sulfurization processes. |
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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 |
000430538000036 |
Publication Date |
2018-03-20 |
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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 |
2050-7526 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
5.256 |
Times cited |
4 |
Open Access |
OpenAccess |
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Notes |
This work was supported throughout a strategic fundamental research grant for M. H. by the agency Flanders innovation & entrepreneurship (VLAIO). |
Approved |
Most recent IF: 5.256 |
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Call Number |
PLASMANT @ plasmant @c:irua:150968 |
Serial |
4921 |
| Permanent link to this record |
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Author |
Wang, W.; Snoeckx, R.; Zhang, X.; Cha, M.S.; Bogaerts, A. |
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Title |
Modeling Plasma-based CO2and CH4Conversion in Mixtures with N2, O2, and H2O: The Bigger Plasma Chemistry Picture |
Type |
A1 Journal article |
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Year |
2018 |
Publication |
The journal of physical chemistry: C : nanomaterials and interfaces |
Abbreviated Journal |
J Phys Chem C |
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Volume |
122 |
Issue |
16 |
Pages |
8704-8723 |
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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 |
Because of the unique properties of plasma technology, its use in gas conversion applications is gaining significant interest around the globe. Plasma-based CO2 and CH4 conversion has become a major research area. Many investigations have already been performed regarding the single-component gases, that is, CO2 splitting and CH4 reforming, as well as for two-component mixtures, that is, dry reforming of methane
(CO2/CH4), partial oxidation of methane (CH4/O2), artificial photosynthesis (CO2/H2O), CO2 hydrogenation (CO2/H2), and even first steps toward the influence of N2 impurities have been taken, that is, CO2/N2 and CH4/N2. In this Feature Article we briefly discuss the advances made in literature for these different steps from a plasma chemistry modeling point of view. Subsequently, we present a comprehensive plasma chemistry set, combining the knowledge gathered in this field so far and supported with extensive experimental data. This set can be used for chemical kinetics plasma modeling for all possible combinations of CO2, CH4, N2, O2, and H2O to investigate the bigger picture of the underlying plasmachemical pathways for these mixtures in a dielectric barrier discharge plasma. This is extremely valuable
for the optimization of existing plasma-based CO2 conversion and CH4 reforming processes as well as for investigating the influence of N2, O2, and H2O on these processes and even to support plasma-based multireforming processes. |
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Corporate Author |
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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 |
000431151200002 |
Publication Date |
2018-04-26 |
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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 |
1932-7447 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
4.536 |
Times cited |
28 |
Open Access |
OpenAccess |
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Notes |
Federaal Wetenschapsbeleid, IAP/7 ; King Abdullah University of Science and Technology; H2020 Marie Sklodowska-Curie Actions, 657304 ; Fonds Wetenschappelijk Onderzoek, G.0217.14N G.0383.16N G.0254.14N ; |
Approved |
Most recent IF: 4.536 |
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Call Number |
PLASMANT @ plasmant @c:irua:150969 |
Serial |
4922 |
| Permanent link to this record |
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Author |
Wu, J.; Zhang, L.; Xin, X.; Zhang, Y.; Wang, H.; Sun, A.; Cheng, Y.; Chen, X.; Xu, G. |
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Title |
Electrorheological fluids with high shear stress based on wrinkly tin titanyl oxalate |
Type |
A1 Journal article |
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Year |
2018 |
Publication |
ACS applied materials and interfaces |
Abbreviated Journal |
Acs Appl Mater Inter |
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Volume |
10 |
Issue |
7 |
Pages |
6785-6792 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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Abstract |
Electrorheological (ER) fluids are considered as a type of smart fluids because their rheological characteristics can be altered through an electric field. The discovery of giant ER effect revived the researchers' interest in the ER technological area. However, the poor stability including the insufficient dynamic shear stress, the large leakage current density, and the sedimentation tendency still hinders their practical applications. Herein, we report a facile and scalable coprecipitation method for synthesizing surfactant-free tin titanyl oxalate (TTO) particles with tremella-like wrinkly microstructure (W-TTO). The W-TTO-based ER fluids exhibit enhanced ER activity compared to that of the pristine TTO because of the improved wettability between W-TTO and the silicone oil. In addition, the static yield stress and leakage current of W-TTO ER fluids also show a fine time stability during the 30 day tests. More importantly, the dynamic shear stress of W-TTO ER fluids can remain stable throughout the shear rate range, which is valuable for their use in engineering applications. The results in this work provided a promising strategy to solving the long-standing problem of ER fluid stability. Moreover, this convenient route of synthesis may be considered a green approach for the mass production of giant ER materials. |
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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 |
000426143900081 |
Publication Date |
2018-02-01 |
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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 |
1944-8244 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
7.504 |
Times cited |
7 |
Open Access |
OpenAccess |
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Notes |
; The work was supported by the National Natural Science Foundation of China (Grant 21573267, 11674335), the Youth Innovation Promotion Association CAS (2013196), and the Program for Ningbo Municipal Science and Technology Innovative Research Team (2015B11002, 2016B10005). ; |
Approved |
Most recent IF: 7.504 |
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Call Number |
UA @ lucian @ c:irua:149911 |
Serial |
4931 |
| Permanent link to this record |
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Author |
Radi, A.; Khalil-Allafi, J.; Etminanfar, M.R.; Pourbabak, S.; Schryvers, D.; Amin-Ahmadi, B. |
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Title |
Influence of stress aging process on variants of nano-N4Ti3precipitates and martensitic transformation temperatures in NiTi shape memory alloy |
Type |
A1 Journal article |
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Year |
2018 |
Publication |
Materials & design |
Abbreviated Journal |
Mater Design |
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Volume |
262 |
Issue |
262 |
Pages |
74-81 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
In this study, the effect of a stress aging process on the microstructure and martensitic phase transformation of NiTi shape memory alloy has been investigated. NiTi samples were aged at 450 degrees C for 1 h and 5 h under different levels of external tensile stress of 15, 60 and 150 MPa. Transmission electron microscopy (TEM) was used to characterize different variants and morphology of precipitates. The results show that application of all stress levels restricts the formation of precipitates variants in the microstructure after I h stress aging process. However, all variants can be detected by prolonging aging time to 5 h at 15 MPa stress level and the variants formation is again restricted by increasing the stress level. Moreover, the stress aging process resulted in changing the shape of precipitates in comparison with that of the stress-free aged samples. Coffee-bean shaped morphologies were detected for precipitates in all stress levels. According to the Differential Scanning Calorimetry (DSC) results, the martensite start temperature (M-s) on cooling shifts to higher temperatures with increasing the tensile stress during the aging process. This can be related to the change ofaustenite to martensite interface energy due to the different volume fractions and variants of precipitates. (c) 2018 Elsevier Ltd. All rights reserved. |
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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 |
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Publication Date |
2018-01-04 |
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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 |
0264-1275 |
ISBN |
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Additional Links |
UA library record; ; WoS full record; WoS citing articles |
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Impact Factor |
4.364 |
Times cited |
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Open Access |
OpenAccess |
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Notes |
|
Approved |
Most recent IF: 4.364 |
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Call Number |
UA @ lucian @ c:irua:149854 |
Serial |
4938 |
| Permanent link to this record |
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Author |
Ben Dkhil, S.; Pfannmöller, M.; Schroeder, R.R.; Alkarsifi, R.; Gaceur, M.; Koentges, W.; Heidari, H.; Bals, S.; Margeat, O.; Ackermann, J.; Videlot-Ackermann, C. |
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Title |
Interplay of interfacial layers and blend composition to reduce thermal degradation of polymer solar cells at high temperature |
Type |
A1 Journal article |
| |
Year |
2018 |
Publication |
ACS applied materials and interfaces |
Abbreviated Journal |
Acs Appl Mater Inter |
| |
Volume |
10 |
Issue |
10 |
Pages |
3874-3884 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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Abstract |
The thermal stability of printed polymer solar cells at elevated temperatures needs to be improved to achieve high-throughput fabrication including annealing steps as well as long-term stability. During device processing, thermal annealing impacts both the organic photoactive layer, and the two interfacial layers make detailed studies of degradation mechanism delicate. A recently identified thermally stable poly[[4,8-bis[(2-ethylhexyl)oxy]benzo[1,2-b:4,5-b'-dithiopherie-2,6-diyl] [3-fluoro-2-[(2-ethylhexyl) carbonyl] thieno [3,4-b]thiophenediyl]] : [6,6]-phenyl- C-71-butyric acid methyl ester (PTB7:PC70BM) blend as photoactive layer in combination with poly(3,4-ethylenedioxythiophene) polystyrene sulfonate as hole extraction layer is used here to focus on the impact of electron extraction layer (EEL) on the thermal stability of solar cells. Solar cells processed with densely packed ZnO nanoparticle layers still show 92% of the initial efficiency after constant annealing during 1 day at 140 degrees C, whereas partially covering ZnO layers as well as an evaporated calcium layer leads to performance losses of up to 30%. This demonstrates that the nature and morphology of EELs highly influence the thermal stability of the device. We extend our study to thermally unstable PTB7:[6,6]-phenyl-C-61-butyric acid methyl ester (PC60BM) blends to highlight the impact of ZnO on the device degradation during annealing. Importantly, only 12% loss in photocurrent density is observed after annealing at 140 degrees C during 1 day when using closely packed ZnO. This is in stark contrast to literature and addressed here to the use of a stable double-sided confinement during thermal annealing. The underlying mechanism of the inhibition of photocurrent losses is revealed by electron microscopy imaging and spatially resolved spectroscopy. We found that the double-sided confinement suppresses extensive fullerene diffusion during the annealing step, but with still an increase in size and distance of the enriched donor and acceptor domains inside the photoactive layer by an average factor of 5. The later result in combination with comparably small photocurrent density losses indicates the existence of an efficient transport of minority charge carriers inside the donor and acceptor enriched phases in PTB7:PC60BM blends. |
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Wos |
000424728800082 |
Publication Date |
2018-01-12 |
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1944-8244 |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
7.504 |
Times cited |
9 |
Open Access |
OpenAccess |
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Notes |
; We acknowledge the financial support by the French Fond Unique Interministeriel (FUI) under the project “SFUMATO” (grant number: F1110019V/201308815) as well as by the European Commission under the Project “SUNFLOWER” (FP7-ICT-2011-7-contract number: 287594). M.P. and R.R.S. acknowledge support by the HeiKA (Heidelberg Karlsruhe Research Partnership) FunTech-3D materials science program. ; |
Approved |
Most recent IF: 7.504 |
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Call Number |
UA @ lucian @ c:irua:149309UA @ admin @ c:irua:149309 |
Serial |
4939 |
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Author |
Aierken, Y.; Sevik, C.; Gulseren, O.; Peeters, F.M.; Çakir, D. |
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Title |
MXenes/graphene heterostructures for Li battery applications : a first principles study |
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A1 Journal article |
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Year |
2018 |
Publication |
Journal of materials chemistry A : materials for energy and sustainability |
Abbreviated Journal |
J Mater Chem A |
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Volume |
6 |
Issue |
5 |
Pages |
2337-2345 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
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Abstract |
MXenes are the newest class of two-dimensional (2D) materials, and they offer great potential in a wide range of applications including electronic devices, sensors, and thermoelectric and energy storage materials. In this work, we combined the outstanding electrical conductivity, that is essential for battery applications, of graphene with MXene monolayers (M2CX2 where M = Sc, Ti, V and X = OH, O) to explore its potential in Li battery applications. Through first principles calculations, we determined the stable stacking configurations of M2CX2/graphene bilayer heterostructures and their Li atom intercalation by calculating the Li binding energy, diffusion barrier and voltage. We found that: (1) for the ground state stacking, the interlayer binding is strong, yet the interlayer friction is small; (2) Li binds more strongly to the O-terminated monolayer, bilayer and heterostructure MXene systems when compared with the OHterminated MXenes due to the H+ induced repulsion to the Li atoms. The binding energy of Li decreases as the Li concentration increases due to enhanced repulsive interaction between the positively charged Li ions; (3) Ti2CO2/graphene and V2CO2/graphene heterostructures exhibit large Li atom binding energies making them the most promising candidates for battery applications. When fully loaded with Li atoms, the binding energy is -1.43 eV per Li atom and -1.78 eV per Li atom for Ti2CO2/graphene and V2CO2/graphene, respectively. These two heterostructures exhibit a nice compromise between storage capacity and kinetics. For example, the diffusion barrier of Li in Ti2CO2/graphene is around 0.3 eV which is comparable to that of graphite. Additionally, the calculated average voltages are 1.49 V and 1.93 V for Ti2CO2/graphene and V2CO2/graphene structures, respectively; (4) a small change in the in-plane lattice parameters (<1%), interatomic bond lengths and interlayer distances (<0.5 angstrom) proves the stability of the heterostructures against Li intercalation, and the impending phase separation into constituent layers and capacity fading during charge-discharge cycles in real battery applications; (5) as compared to bare M2CX2 bilayers, M2CX2/graphene heterostructures have lower molecular mass, offering high storage capacity; (6) the presence of graphene ensures good electrical conductivity that is essential for battery applications. Given these advantages, Ti2CO2/graphene and V2CO2/graphene heterostructures are predicted to be promising for lithium-ion battery applications. |
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Cambridge |
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000423981200049 |
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2018-01-02 |
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2050-7488; 2050-7496 |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
8.867 |
Times cited |
131 |
Open Access |
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Notes |
; This work was supported by the bilateral project between 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 the 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 the TUBITAK (Grant No. 115F024 and 116F080). Part of this work was supported by the BAGEP Award of the Science Academy. ; |
Approved |
Most recent IF: 8.867 |
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Call Number |
UA @ lucian @ c:irua:149265UA @ admin @ c:irua:149265 |
Serial |
4945 |
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