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Author |
Yusupov, M.; Bogaerts, A.; Huygh, S.; Snoeckx, R.; van Duin, A.C.T.; Neyts, E.C. |
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Title |
Plasma-induced destruction of bacterial cell wall components : a reactive molecular dynamics simulation |
Type |
A1 Journal article |
| |
Year |
2013 |
Publication |
The journal of physical chemistry: C : nanomaterials and interfaces |
Abbreviated Journal |
J Phys Chem C |
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| |
Volume |
117 |
Issue |
11 |
Pages  |
5993-5998 |
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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 |
Nonthermal atmospheric pressure plasmas are gaining increasing attention for biomedical applications. However, very little fundamental information on the interaction mechanisms between the plasma species and biological cells is currently available. We investigate the interaction of important plasma species, such as OH, H2O2, O, O3, as well as O2 and H2O, with bacterial peptidoglycan by means of reactive molecular dynamics simulations, aiming for a better understanding of plasma disinfection. Our results show that OH, O, O3, and H2O2 can break structurally important bonds of peptidoglycan (i.e., CO, CN, or CC bonds), which consequently leads to the destruction of the bacterial cell wall. The mechanisms behind these breakups are, however, dependent on the impinging plasma species, and this also determines the effectiveness of the cell wall destruction. |
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Thesis |
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Place of Publication |
Washington, D.C. |
Editor |
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Language |
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Wos |
000316773000056 |
Publication Date |
2013-02-23 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
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 |
59 |
Open Access |
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Notes |
|
Approved |
Most recent IF: 4.536; 2013 IF: 4.835 |
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Call Number |
UA @ lucian @ c:irua:107154 |
Serial |
2636 |
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| Permanent link to this record |
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Author |
Filippousi, M.; Siafaka, P.I.; Amanatiadou, E.P.; Nanaki, S.G.; Nerantzaki, M.; Bikiaris, D.N.; Vizirianakis, I.S.; Van Tendeloo, G. |
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Title |
Modified chitosan coated mesoporous strontium hydroxyapatite nanorods as drug carriers |
Type |
A1 Journal article |
| |
Year |
2015 |
Publication |
Journal of materials chemistry B : materials for biology and medicine |
Abbreviated Journal |
J Mater Chem B |
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| |
Volume |
3 |
Issue |
3 |
Pages |
5991-6000 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
Mesoporous strontium hydroxyapatite (SrHAp) nanorods (NRs) have been successfully synthesized using a simple and efficient chemical route, i.e. the hydrothermal method. Structural and morphological characterization of the as-synthesized SrHAp NRs have been performed by transmission electron microscopy (TEM) and high angle annular dark field scanning transmission electron microscopy (HAADF-STEM). TEM and HAADF-STEM measurements of the NRs reveal the coexistence of longer and shorter particles with the length ranging from 50 nm to 400 nm and a diameter of about 20-40 nm. Electron tomography measurements of the NRs allow us to better visualize the mesopores and their facets. Two model drugs, hydrophobic risperidone and hydrophilic pramipexole, were loaded into the SrHAp NRs. These nanorods were coated using a modified chitosan (CS) with poly(2-hydroxyethyl methacrylate) (PHEMA), in order to encapsulate the drug-loaded SrHAp nanoparticles and reduce the cytotoxicity of the loaded materials. The drug release from neat and encapsulated SrHAp NRs mainly depends on the drug hydrophilicity. Importantly, although neat SrHAp nanorods exhibit some cytotoxicity against Caco-2 cells, the Cs-g-PHEMA-SrHAp drug-loaded nanorods show an acceptable cytocompatibility. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Cambridge |
Editor |
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Language |
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Wos |
000358065100009 |
Publication Date |
2015-06-10 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
2050-750X;2050-7518; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
4.543 |
Times cited |
24 |
Open Access |
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Notes |
|
Approved |
Most recent IF: 4.543; 2015 IF: 4.726 |
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Call Number |
c:irua:127131 |
Serial |
2161 |
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| Permanent link to this record |
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Author |
Theofanidis, S.A.; Galvita, V.V.; Poelman, H.; Dharanipragada, N.V.R.A.; Longo, A.; Meledina, M.; Van Tendeloo, G.; Detavernier, C.; Marin, G.B. |
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Title |
Fe-containing magnesium aluminate support for stability and carbon control during methane reforming |
Type |
A1 Journal article |
| |
Year |
2018 |
Publication |
ACS catalysis |
Abbreviated Journal |
Acs Catal |
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| |
Volume |
8 |
Issue |
7 |
Pages |
5983-5995 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
We report a MgFexAl2-xO4 synthetic spinel, where x varies from 0 to 0.26, as support for Ni-based catalysts, offering stability and carbon control under various conditions of methane reforming. By incorporation of Fe into a magnesium aluminate spine!, a support is created with redox functionality and high thermal stability, as concluded from temporal analysis of products (TAP) experiments and redox cycling, respectively. A diffusion coefficient of 3 x 10(-17) m(2) s(-1) was estimated for lattice oxygen at 993 K from TAP experiments. X-ray diffraction (XRD) and extended X-ray absorption fine structure (EXAFS) modeling identified that the incorporation of iron occurs as Fe3+ in the octahedral sites of the spinel lattice, replacing aluminum. Simulation of the X-ray absorption near edge structure (XANES) spectrum of the reduced support showed that 60 +/- 10% of iron was reduced from 3+ to 2+ at 1073 K, while there was no formation of metallic iron. A series of Ni/MgFexAl2-xO4 catalysts, where x varies from 0 to 0.26, was synthesized and reduced, yielding a supported Ni-Fe alloy. The evolution of the catalyst structure during H-2 temperature-programmed reduction (TPR) and CO2 temperature-programmed oxidation (TPO) was examined using time-resolved in situ XRD and XANES. During reforming, iron in both the support and alloy keeps control of carbon accumulation, as confirmed by O-2-TPO on the spent catalysts. By fine tuning the amount of Fe in MgFexAl2-xO4, a supported alloy was obtained with a Ni/Fe molar ratio of similar to 10, which was active for reforming and stable. By comparison of the performance of Ni-based catalysts with Fe either incorporated into or deposited onto the support, the location of Fe within the support proved crucial for the stability and carbon mitigation under reforming conditions. |
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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 |
000438475100034 |
Publication Date |
2018-05-22 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
2155-5435 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
10.614 |
Times cited |
18 |
Open Access |
OpenAccess |
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Notes |
; This work was supported by the FAST industrialization by Catalyst Research and Development (FASTCARD) project, which is a Large Scale Collaborative Project supported by the European Commission in the 7th Framework Programme (GA no 604277), the “Long Term Structural Methusalem Funding by the Flemish Government”, the Interuniversity Attraction Poles Programme, IAP7/5, Belgian State – Belgian Science Policy, and the Fund for Scientific Research Flanders (FWO-Vlaanderen) in supplying financing of travel costs and beam time at the DUBBLE beamline of the ESRF. The authors acknowledge the assistance from the DUBBLE (ESRF, XAS campaign 26-01-1048) and ROCK staff (SOLEIL, proposal 201502561). The authors equally acknowledge support from a public grant overseen by the French National Research Agency (ANR) as part of the “Investissements d'Avenir” program (reference: ANR-10-EQPX-45) for the ROCK beamline and from Lukas Buelens and Rakesh Batchu (Laboratory for Chemical Technology, Ghent University) for the STEM measurements and TAP experiments, respectively. ; |
Approved |
Most recent IF: 10.614 |
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| |
Call Number |
UA @ lucian @ c:irua:153178 |
Serial |
5102 |
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| Permanent link to this record |
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Author |
Turner, S.; Lu, Y.-G.; Janssens, S.D.; da Pieve, F.; Lamoen, D.; Verbeeck, J.; Haenen, K.; Wagner, P.; Van Tendeloo, G. |
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Title |
Local boron environment in B-doped nanocrystalline diamond films |
Type |
A1 Journal article |
| |
Year |
2012 |
Publication |
Nanoscale |
Abbreviated Journal |
Nanoscale |
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| |
Volume |
4 |
Issue |
19 |
Pages |
5960-5964 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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Abstract |
Thin films of heavily B-doped nanocrystalline diamond (B:NCD) have been investigated by a combination of high resolution annular dark field scanning transmission electron microscopy and spatially resolved electron energy-loss spectroscopy performed on a state-of-the-art aberration corrected instrument to determine the B concentration, distribution and the local B environment. Concentrations of [similar]1 to 3 at.% of boron are found to be embedded within individual grains. Even though most NCD grains are surrounded by a thin amorphous shell, elemental mapping of the B and C signal shows no preferential embedding of B in these amorphous shells or in grain boundaries between the NCD grains, in contrast with earlier work on more macroscopic superconducting polycrystalline B-doped diamond films. Detailed inspection of the fine structure of the boron K-edge and comparison with density functional theory calculated fine structure energy-loss near-edge structure signatures confirms that the B atoms present in the diamond grains are substitutional atoms embedded tetrahedrally into the diamond lattice. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Cambridge |
Editor |
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Language |
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Wos |
000308705900026 |
Publication Date |
2012-08-09 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
2040-3364;2040-3372; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
7.367 |
Times cited |
39 |
Open Access |
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Notes |
FWO G056810N; GOA XANES meets ELNES; 246791 COUNTATOMS; Hercules; 262348 ESMI; Methusalem Nano |
Approved |
Most recent IF: 7.367; 2012 IF: 6.233 |
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Call Number |
UA @ lucian @ c:irua:101227UA @ admin @ c:irua:101227 |
Serial |
1825 |
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| Permanent link to this record |
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Author |
Sathiya, M.; Thomas, J.; Batuk, D.; Pimenta, V.; Gopalan, R.; Tarascon, J.-M. |
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Title |
Dual stabilization and sacrificial effect of Na2CO3 for increasing capacities of Na-Ion cells based on P2-NaxMO2 electrodes |
Type |
A1 Journal article |
| |
Year |
2017 |
Publication |
Chemistry of materials |
Abbreviated Journal |
Chem Mater |
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| |
Volume |
29 |
Issue |
14 |
Pages |
5948-5956 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
Sodium ion battery technology is gradually advancing and can be viewed as a viable alternative to lithium ion batteries in niche applications. One of the promising positive electrode candidates is P2 type layered sodium transition metal oxide, which offers attractive sodium ion conductivity. However, the reversible capacity of P2 phases is limited by the inability to directly synthesize stoichiometric compounds with a sodium to transition metal ratio equal to 1. To alleviate this issue, we report herein the in situ synthesis of P2-NaxO2 (x <= 0.7, M = transition metal ions)-Na2CO3 composites. We find that sodium carbonate acts as a sacrificial salt, providing Na+ ion to increase the reversible capacity of the P2 phase in sodium ion full cells, and also as a useful additive that stabilizes the formation of P2 over competing P3 phases. We offer a new phase diagram for tuning the synthesis of the P2 phase under various experimental conditions and demonstrate, by in situ XRD analysis, the role of Na2CO3 as a sodium reservoir in full sodium ion cells. These results provide insights into the practical use of P2 layered materials and can be extended to a variety of other layered phases. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
American Chemical Society |
Place of Publication |
Washington, D.C |
Editor |
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Language |
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Wos |
000406573200026 |
Publication Date |
2017-07-03 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0897-4756 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
9.466 |
Times cited |
26 |
Open Access |
Not_Open_Access |
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Notes |
; M.S., J.T., and R.G. acknowledge the financial support received from the Department of Science and Technology (DST-SERC), Government of India under the funding from the TRC Grant Agreement No. AI/1/65/ARCI/2014. The authors are thankful to Dr. Sundararajan, Chairman, TRC and Dr. G. Padmanabham, Director, ARCI for helpful discussions. Initial microscopy analysis by Dr. M. B. Sahana, Dr. Prabu, and Mr. Ravi Gautham of ARCI are greatly acknowledged. The elemental analysis by Dr. Domitille Giaume, IRCP – ENSCP, Chimie Paris Tech, Paris is greatly acknowledged. ; |
Approved |
Most recent IF: 9.466 |
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Call Number |
UA @ lucian @ c:irua:145759 |
Serial |
4740 |
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| Permanent link to this record |
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Author |
Thomassen, G.; Van Dael, M.; You, F.; Van Passel, S. |
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Title |
A multi-objective optimization-extended techno-economic assessment : exploring the optimal microalgal-based value chain |
Type |
A1 Journal article |
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Year |
2019 |
Publication |
Green Chemistry |
Abbreviated Journal |
Green Chem |
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Volume |
21 |
Issue |
21 |
Pages |
5945-5959 |
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Keywords |
A1 Journal article; Economics; Engineering sciences. Technology; Engineering Management (ENM) |
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Abstract |
The use of fossil-based products induces a large environmental burden. To lighten this burden, green technologies are required that can replace their fossil-based counterparts. To enable the development of economically viable green technologies, an optimization towards both economic and environmental objectives is required. To perform this multi-objective optimization (MOO), the environmental techno-economic assessment (ETEA) methodology is extended towards a MOO-extended ETEA. The development of this MOO-extended ETEA is the main objective of this manuscript. As an example of a green technology, the concept of microalgae biorefineries is used as a case study to illustrate the MOO-extended ETEA. According to the results, all optimal value chains include open pond cultivation, a membrane for medium recycling and spray drying. The optimal economic value chain uses Nannochloropsis sp. in a one-stage cultivation to produce fish larvae feed, while the optimal environmental design uses Dunaliella salina or Haematococcus pluvialis to produce carotenoids and fertilizer or energy products, by means of anaerobic digestion or gasification. The crucial parameters for both environmental and economic feasibility are the content, price and reference impact of the main end product, the growth parameters and the biomass and carotenoid recovery efficiency alongside the different process steps. By identifying the economic and environmentally optimal algal-based value chain and the crucial drivers, the MOO-extended ETEA provides insights on how algae-based value chains can be developed in the most economic and environmentally-friendly way. For example, the inclusion of a medium recycling step to lower the water and salt consumption is required in all Pareto-optimal scenarios. Another major insight is the requirement of high-value products such as carotenoids or specialty food to obtain and economically and environmentally feasible algal-based value chain. Due to the modular nature of the MOO-extended ETEA, multiple processes can be included or excluded from the superstructure. Although this case study is limited to current microalgae biorefinery technologies, the MOO-extended ETEA can also be used to assess the economic and environmental effect of more innovative technologies. This way, the MOO-extended ETEA provides a methodology to assess the economic and environmental potential of innovative green technologies and shorten their time-to-market. |
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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 |
000493077100016 |
Publication Date |
2019-10-01 |
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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 |
1463-9262; 1463-9270 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
9.125 |
Times cited |
1 |
Open Access |
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Notes |
; ; |
Approved |
Most recent IF: 9.125 |
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Call Number |
UA @ admin @ c:irua:164296 |
Serial |
6230 |
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Author |
Wagaarachchige, J.D.; Idris, Z.; Arstad, B.; Kummamuru, N.B.; Sætre, K.A.S.; Halstensen, M.; Jens, K.-J. |
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Title |
Low-viscosity nonaqueous sulfolane–amine–methanol solvent blend for reversible CO2 capture |
Type |
A1 Journal article |
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Year |
2022 |
Publication |
Industrial and engineering chemistry research |
Abbreviated Journal |
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Volume |
61 |
Issue |
17 |
Pages |
5942-5951 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
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Abstract |
In this work, the absorption–desorption performance of CO2 in six new solvent blends of amine (diisopropylamine (DPA), 2-amino-2-methyl-1-propanol (AMP), methyldiethanolamine (MDEA), diethanolamine (DEA), diisopropanolamine (DIPA), and ethanolamine (MEA)), sulfolane, and methanol has been monitored using ATR-FTIR spectroscopy. Additionally, NMR-based species confirmation and solvent viscosity analysis were done for DPA solvent samples. The identified CO2 capture products are monomethyl carbonate (MMC), carbamate, carbonate, and bicarbonate anions in different ratios. The DPA solvent formed MMC entirely with 0.88 molCO2/molamine capture capacity, 0.48 molCO2/molamine cyclic capacity, and 3.28 mPa·s CO2-loaded solvent viscosity. MEA, DEA, DIPA, and MDEA were shown to produce a low or a negligible amount of MMC while AMP occupied an intermediate position. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Language |
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Wos |
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Publication Date |
2022-04-25 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0888-5885; 1520-5045 |
ISBN |
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Additional Links |
UA library record |
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Impact Factor |
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Times cited |
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Open Access |
OpenAccess |
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Notes |
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Approved |
no |
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Call Number |
UA @ admin @ c:irua:199111 |
Serial |
8895 |
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Author |
Colla, M.-S.; Amin-Ahmadi, B.; Idrissi, H.; Malet, L.; Godet, S.; Raskin, J.-P.; Schryvers, D.; Pardoen, T. |
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Title |
Dislocation-mediated relaxation in nanograined columnar palladium films revealed by on-chip time-resolved HRTEM testing |
Type |
A1 Journal article |
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Year |
2015 |
Publication |
Nature communications |
Abbreviated Journal |
Nat Commun |
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Volume |
6 |
Issue |
6 |
Pages |
5922 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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Abstract |
The high-rate sensitivity of nanostructured metallic materials demonstrated in the recent literature is related to the predominance of thermally activated deformation mechanisms favoured by a large density of internal interfaces. Here we report time-resolved high-resolution electron transmission microscopy creep tests on thin nanograined films using on-chip nanomechanical testing. Tests are performed on palladium, which exhibited unexpectedly large creep rates at room temperature. Despite the small 30-nm grain size, relaxation is found to be mediated by dislocation mechanisms. The dislocations interact with the growth nanotwins present in the grains, leading to a loss of coherency of twin boundaries. The density of stored dislocations first increases with applied deformation, and then decreases with time to drive additional deformation while no grain boundary mechanism is observed. This fast relaxation constitutes a key issue in the development of various micro- and nanotechnologies such as palladium membranes for hydrogen 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 |
000348742300002 |
Publication Date |
2015-01-05 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
2041-1723; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
12.124 |
Times cited |
34 |
Open Access |
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Notes |
Iap7/21; Fwo G012012n |
Approved |
Most recent IF: 12.124; 2015 IF: 11.470 |
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Call Number |
c:irua:122045 |
Serial |
731 |
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| Permanent link to this record |
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Author |
Dharanipragada, N.V.R.A.; Meledina, M.; Galvita, V.V.; Poelman, H.; Turner, S.; Van Tendeloo, G.; Detavernier, C.; Marin, G.B. |
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Title |
Deactivation study of Fe2O3-CeO2 during redox cycles for CO production from CO2 |
Type |
A1 Journal article |
| |
Year |
2016 |
Publication |
Industrial and engineering chemistry research |
Abbreviated Journal |
Ind Eng Chem Res |
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Volume |
55 |
Issue |
55 |
Pages |
5911-5922 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
Deactivation was investigated in Fe2O3-CeO2 oxygen storage materials during repeated H-2-reduction and CO2-reoxidation. In situ XRD, XAS, and TEM were used to identify phases, crystallite sizes, and morphological changes upon cycling operation. The effect of redox cycling was investigated both in Fe-rich (80 wt % Fe2O3-CeO2) and Ce-rich (10 wt %Fe2O3-CeO2) materials. The former consisted of 100 nm Fe2O3 particles decorated with 5-10 nm Ce1-xFexO2-x. The latter presented CeO2 with incorporated Fe, i.e. a solid solution of Ce1-xFexO2-x, as the main oxygen carrier. By modeling the EXAFS Ce-K signal for as-prepared 10 wt %Fe2O3-CeO2, the amount of Fe in CeO2 was determined as 21 mol %, corresponding to 86% of the total iron content. Sintering and solid solid transformations, the latter including both new phase formation and element segregation, were identified as deactivation pathways upon redox cycling. In Ce-rich material, perovskite (CeFeO3) was identified by XRD. This phase remained inert during reduction and reoxidation, resulting in an overall lower oxygen storage capacity. Further, Fe segregated from the solid solution, thereby decreasing its reducibility. In addition, an increase in crystallite size occurred for all phases. In Fe-rich material, sintering is the main deactivation pathway, although Fe segregation from the solid solution and perovskite formation cannot be excluded. |
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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 |
Washington, D.C. |
Editor |
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Language |
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Wos |
000376825300013 |
Publication Date |
2016-04-22 |
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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 |
0888-5885; 1520-5045 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
2.843 |
Times cited |
26 |
Open Access |
|
|
| |
Notes |
|
Approved |
Most recent IF: 2.843 |
|
| |
Call Number |
UA @ lucian @ c:irua:134214 |
Serial |
4158 |
|
| Permanent link to this record |
| |
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| |
|
Author |
Esken, D.; Noei, H.; Wang, Y.; Wiktor, C.; Turner, S.; Van Tendeloo, G.; Fischer, R.A. |
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| |
Title |
ZnO@ZIF-8 : stabilization of quantum confined ZnO nanoparticles by a zinc methylimidazolate framework and their surface structural characterization probed by CO2 adsorption |
Type |
A1 Journal article |
| |
Year |
2011 |
Publication |
Journal of materials chemistry |
Abbreviated Journal |
J Mater Chem |
|
| |
Volume |
21 |
Issue |
16 |
Pages |
5907-5915 |
|
| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
|
| |
Abstract |
The microporous and activated zeolitic imidazolate framework (Zn(MeIM)2; MeIM = imidazolate-2-methyl; ZIF-8) was loaded with the MOCVD precursor diethyl zinc [Zn(C2H5)2]. Exposure of ZIF-8 to the vapour of the volatile organometallic molecule resulted in the formation of the inclusion compound [Zn(C2H5)2]0.38@ZIF-8 revealing two precursor molecules per cavity. In a second step the obtained material was treated with oxygen (5 vol% in argon) at various temperatures (oxidative annealing) to achieve the composite material ZnO0.35@ZIF-8. The new material was characterized with powder XRD, FT-IR, UV-vis, solid state NMR, elemental analysis, N2 sorption measurements, and transmission electron microscopy. The data give evidence for the presence of nano-sized ZnO particles stabilized by ZIF-8 showing a blue-shift of the UV-vis absorption caused by quantum size effect (QSE). The surface structure and reactivity of embedded ZnO nanoparticles were characterized via carbon dioxide adsorption at different temperatures monitored by ultra-high vacuum FTIR techniques. It was found that the surface of ZnO nanoparticles is dominated by polar OZnO and ZnZnO facets as well as by defect sites, which all exhibit high reactivity towards CO2 activation forming various adsorbed carbonate and chemisorbed CO2δ− species. |
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Address |
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Corporate Author |
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Thesis |
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| |
Publisher |
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Place of Publication |
Cambridge |
Editor |
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| |
Language |
|
Wos |
000289260000012 |
Publication Date |
2011-03-19 |
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| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0959-9428;1364-5501; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
|
Times cited |
76 |
Open Access |
|
|
| |
Notes |
Esteem 026019 |
Approved |
Most recent IF: NA |
|
| |
Call Number |
UA @ lucian @ c:irua:88641 |
Serial |
3936 |
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| Permanent link to this record |
| |
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| |
|
Author |
Choudhary, K.; Bercx, M.; Jiang, J.; Pachter, R.; Lamoen, D.; Tavazza, F. |
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| |
Title |
Accelerated Discovery of Efficient Solar Cell Materials Using Quantum and Machine-Learning Methods |
Type |
A1 Journal article |
| |
Year |
2019 |
Publication |
Chemistry of materials |
Abbreviated Journal |
Chem Mater |
|
| |
Volume |
31 |
Issue |
15 |
Pages |
5900-5908 |
|
| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
|
| |
Abstract |
Solar energy plays an important role in solving serious environmental
problems and meeting the high energy demand. However, the lack of suitable
materials hinders further progress of this technology. Here, we present the largest
inorganic solar cell material search till date using density functional theory (DFT) and
machine-learning approaches. We calculated the spectroscopic limited maximum
efficiency (SLME) using the Tran−Blaha-modified Becke−Johnson potential for 5097
nonmetallic materials and identified 1997 candidates with an SLME higher than 10%,
including 934 candidates with a suitable convex-hull stability and an effective carrier
mass. Screening for two-dimensional-layered cases, we found 58 potential materials
and performed G0W0 calculations on a subset to estimate the prediction uncertainty. As the above DFT methods are still computationally expensive, we developed a high accuracy machine-learning model to prescreen efficient materials and applied it to over a million materials. Our results provide a general framework and universal strategy for the design of high-efficiency solar
cell materials. The data and tools are publicly distributed at: https://www.ctcms.nist.gov/~knc6/JVASP.html, https://www.
ctcms.nist.gov/jarvisml/, https://jarvis.nist.gov/, and https://github.com/usnistgov/jarvis. |
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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 |
000480826900060 |
Publication Date |
2019-08-13 |
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| |
Series Editor |
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Series Title |
|
Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0897-4756 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
9.466 |
Times cited |
6 |
Open Access |
|
|
| |
Notes |
; ; |
Approved |
Most recent IF: 9.466 |
|
| |
Call Number |
EMAT @ emat @c:irua:161814 |
Serial |
5291 |
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| Permanent link to this record |
| |
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| |
|
Author |
Koirala, B.; Rasti, B.; Bnoulkacem, Z.; De Lima Ribeiro, A.; Madriz, Y.; Herrmann, E.; Gestels, A.; De Kerf, T.; Janssens, K.; Steenackers, G.; Gloaguen, R.; Scheunders, P. |
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| |
Title |
An extensive multisensor hyperspectral benchmark datasets of intimate mixtures of mineral powders |
Type |
P1 Proceeding |
| |
Year |
2023 |
Publication |
IEEE International Geoscience and Remote Sensing Symposium proceedings
T2 – IGARSS 2023 – 2023 IEEE International Geoscience and Remote Sensing Symposium, 16-21 July 2023, Pasadena, CA, USA |
Abbreviated Journal |
|
|
| |
Volume |
|
Issue |
|
Pages |
5890-5893
T2 - IGARSS 2023 - 2023 IEEE Internation |
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| |
Keywords |
P1 Proceeding; Economics; Vision lab; Antwerp X-ray Imaging and Spectroscopy (AXIS) |
|
| |
Abstract |
Since many materials behave as heterogeneous intimate mixtures with which each photon interacts differently, the relationship between spectral reflectance and material composition is very complex. Quantitative validation of spectral unmixing algorithms requires high-quality ground truth fractional abundance data, which are very difficult to obtain.In this work, we generated a comprehensive hyperspectral dataset of intimate mineral powder mixtures by homogeneously mixing five different clay powders (Kaolin, Roof clay, Red clay, mixed clay, and Calcium hydroxide). In total 325 samples were prepared. Among the 325 samples, 60 mixtures were binary, 150 were ternary, 100 were quaternary, and 15 were quinary. For each mixture (and pure clay powder), reflectance spectra are acquired by 13 different sensors, with a broad wavelength range between the visible and the long-wavelength infrared regions (i.e., between 350 nm and 15385 nm) and with a large variation in sensor types, platforms, and acquisition conditions. We will make this dataset public, to be used by the community for the validation of nonlinear unmixing methodologies (https://github.com/VisionlabUA/Multisensor_datasets) |
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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 |
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| |
Language |
|
Wos |
001098971606002 |
Publication Date |
2023-10-20 |
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| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
979-83-503-2010-7 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
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| |
Impact Factor |
|
Times cited |
|
Open Access |
|
|
| |
Notes |
|
Approved |
Most recent IF: NA |
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| |
Call Number |
UA @ admin @ c:irua:201596 |
Serial |
9035 |
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| Permanent link to this record |
| |
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| |
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Author |
Yu, H.; Kopach, A.; Misko, V.R.; Vasylenko, A.A.; Makarov, D.; Marchesoni, F.; Nori, F.; Baraban, L.; Cuniberti, G. |
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| |
Title |
Confined Catalytic Janus Swimmers in a Crowded Channel: Geometry-Driven Rectification Transients and Directional Locking |
Type |
A1 Journal article |
| |
Year |
2016 |
Publication |
Small |
Abbreviated Journal |
Small |
|
| |
Volume |
12 |
Issue |
12 |
Pages |
5882-5890 |
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| |
Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
|
| |
Abstract |
Self-propelled Janus particles, acting as microscopic vehicles, have the potential to perform complex tasks on a microscopic scale, suitable, e.g., for environmental applications, on-chip chemical information processing, or in vivo drug delivery. Development of these smart nanodevices requires a better understanding of how synthetic swimmers move in crowded and confined environments that mimic actual biosystems, e.g., network of blood vessels. Here, the dynamics of self-propelled Janus particles interacting with catalytically passive silica beads in a narrow channel is studied both experimentally and through numerical simulations. Upon varying the area density of the silica beads and the width of the channel, active transport reveals a number of intriguing properties, which range from distinct bulk and boundary-free diffusivity at low densities, to directional “locking” and channel “unclogging” at higher densities, whereby a Janus swimmer is capable of transporting large clusters of passive particles. |
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| |
Address |
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Corporate Author |
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Thesis |
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| |
Publisher |
|
Place of Publication |
Weinheim |
Editor |
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| |
Language |
|
Wos |
000389403900010 |
Publication Date |
2016-09-15 |
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| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
1613-6810 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
8.643 |
Times cited |
14 |
Open Access |
|
|
| |
Notes |
; H.Y., A.K., and L.B. contributed equally to this work. This work was funded in part by the European Union (ERDF) and the Free State of Saxony via the ESF project InnoMedTec, the DFG cluster for Excellence, the Center for Advancing Electronics Dresden (CfAED), and via the European Research Council under the European Union's Seventh Framework program (FP7/2007-2013)/ERC grant agreement no. 306277. V.R.M. and A.A.V. acknowledge support from the Odysseus Program of the Flemish Government and the FWO-VI. F.N. is partially supported by the RIKEN iTHES Project, the MURI Center for Dynamic Magneto-Optics via the AFOSR Grant No. FA9550-14-1-0040, the IMPACT program of the JST, and a Grant-in-Aid for the Scientific Research (A). ; |
Approved |
Most recent IF: 8.643 |
|
| |
Call Number |
UA @ lucian @ c:irua:140256 |
Serial |
4453 |
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| Permanent link to this record |
| |
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| |
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Author |
Faraji, F.; Neek-Amal, M.; Neyts, E.C.; Peeters, F.M. |
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| |
Title |
Indentation of graphene nano-bubbles |
Type |
A1 Journal article |
| |
Year |
2022 |
Publication |
Nanoscale |
Abbreviated Journal |
Nanoscale |
|
| |
Volume |
14 |
Issue |
15 |
Pages |
5876-5883 |
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| |
Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
|
| |
Abstract |
Molecular dynamics simulations are used to investigate the effect of an AFM tip when indenting graphene nano bubbles filled by a noble gas (i.e. He, Ne and Ar) up to the breaking point. The failure points resemble those of viral shells as described by the Foppl-von Karman (FvK) dimensionless number defined in the context of elasticity theory of thin shells. At room temperature, He gas inside the bubbles is found to be in the liquid state while Ne and Ar atoms are in the solid state although the pressure inside the nano bubble is below the melting pressure of the bulk. The trapped gases are under higher hydrostatic pressure at low temperatures than at room temperature. |
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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 |
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| |
Language |
|
Wos |
000776763000001 |
Publication Date |
2022-03-30 |
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| |
Series Editor |
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Series Title |
|
Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
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| |
ISSN |
2040-3364; 2040-3372 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
6.7 |
Times cited |
|
Open Access |
OpenAccess |
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| |
Notes |
|
Approved |
Most recent IF: 6.7 |
|
| |
Call Number |
UA @ admin @ c:irua:187924 |
Serial |
7171 |
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| Permanent link to this record |
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| |
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Author |
Efimov, K.; Xu, Q.; Feldhoff, A. |
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| |
Title |
Transmission electron microscopy study of BA0.5Sr0.5CO0.8Fe0.2O3-\delta Perovskite decomposition at intermediate temperatures |
Type |
A1 Journal article |
| |
Year |
2010 |
Publication |
Chemistry of materials |
Abbreviated Journal |
Chem Mater |
|
| |
Volume |
22 |
Issue |
21 |
Pages |
5866-5875 |
|
| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
|
| |
Abstract |
The cubic perovskite Ba(0.5)Sr(0.5)Co(0.8)Fe(0.2)O(3-delta) (denoted BSCF) is the state-of-the-art ceramic membrane material used for oxygen separation technologies above 1150 K. BSCF is a mixed oxygen-ion and electron conductor (MIEC) and exhibits one of the highest oxygen permeabilities reported so far for dense oxides. Additionally, it has excellent phase stability above 1150 K. In the intermediate temperature range (750-1100 K), however, BSCF suffers from a slow decomposition of the cubic perovskite into variants with hexagonal stacking that are barriers to oxygen transport. To elucidate details of the decomposition process, both sintered BSCF ceramic and powder were annealed for 180-240 h in ambient air at temperatures below 1123 K and analyzed by different transmission electron microscopy techniques. Aside from hexagonal perovskite Ba(0.5)Sr(0.5)CoO(3-delta) , the formation of lamellar noncubic phases was observed in the quenched samples. The structure of the lamellae with the previously unknown composition Ba(1-x)Sr(x)Co(2-y)Fe(y)O(5-delta) was found to be related to the 15R hexagonal perovskite polytype. The valence and spin-state transition of cobalt leading to a considerable diminution of its ionic radius can be considered a reason for BSCF's inherent phase instability at intermediate temperatures. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
|
Place of Publication |
Washington, D.C. |
Editor |
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| |
Language |
|
Wos |
000283623700010 |
Publication Date |
2010-10-13 |
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| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
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| |
ISSN |
0897-4756;1520-5002; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
9.466 |
Times cited |
117 |
Open Access |
|
|
| |
Notes |
Esteem 026019 |
Approved |
Most recent IF: 9.466; 2010 IF: 6.400 |
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| |
Call Number |
UA @ lucian @ c:irua:95546 |
Serial |
3720 |
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| Permanent link to this record |
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Author |
Geboes, B.; Ustarroz, J.; Sentosun, K.; Vanrompay, H.; Hubin, A.; Bals, S.; Breugelmans, T. |
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| |
Title |
Electrochemical behavior of electrodeposited nanoporous Pt catalysts for the oxygen reduction reaction |
Type |
A1 Journal article |
| |
Year |
2016 |
Publication |
ACS catalysis |
Abbreviated Journal |
Acs Catal |
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| |
Volume |
6 |
Issue |
6 |
Pages |
5856-5864 |
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| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Applied Electrochemistry & Catalysis (ELCAT) |
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| |
Abstract |
Nanoporous Pt based nanoparticles (NP's) are promising fuel cell catalysts due to their high surface area and increased electrocatalytic activity toward the ORR In this work a direct double-pulse electrodeposition procedure at room temperature is applied to obtain dendritic Pt structures (89 nm diameter) with a high level of porosity (ca. 25%) and nanopores of 2 nm protruding until the center of the NP's. The particle morphology is characterized using aberration corrected high angle annular dark field scanning transmission electron microscopy (HAADF-STEM) and electron tomography (ET) combined with field emission scanning electron microscopy (FESEM) and macroscopic electrochemical measurements to assess their activity and stability toward the ORR. Macroscopic determination of the active surface area through hydrogen UPD measurements in combination with FESEM and ET showed that a considerable amount of the active sites inside the pores of the low overpotential NP's were accessible to oxygen species. As a result of this accessibility, up to a 9-fold enhancement of the Pt mass corrected ORR activity at 0.85 V vs RHE was observed at the highly porous structures. After successive potential cycling upward to 1.5 V vs RHE in a deaerated HClO4 solution a negative shift of 71 mV in half-wave potential occurred. This decrease in ORR activity could be correlated to the partial collapse of the nanopores, visible in both the EASA values and 3D ET reconstructions. |
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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 |
000382714000025 |
Publication Date |
2016-07-18 |
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Series Editor |
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Series Title |
|
Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
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| |
ISSN |
2155-5435 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
10.614 |
Times cited |
48 |
Open Access |
OpenAccess |
|
| |
Notes |
; The Quanta 250 FEG microscope of the Electron Microscopy for Material Science group at the University of Antwerp was funded by the Hercules foundation of the Flemish Government. The authors acknowledge financial support from the Fonds Wetenschappelijk Onderzoek in Flanders (FWOAL708). S.B. acknowledges financial support from the European Research Council (ERC Starting Grant # 335078-COLOURATOMS). J.U. acknowledges funding from the Fonds Wetenschappelijk Onderzoek in Flanders (FWO, postdoctoral grant 12I7816N). ; ecas_Sara |
Approved |
Most recent IF: 10.614 |
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| |
Call Number |
UA @ lucian @ c:irua:135703 |
Serial |
4302 |
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| Permanent link to this record |
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| |
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Author |
Rakesh Roshan, S.C.; Yedukondalu, N.; Pandey, T.; Kunduru, L.; Muthaiah, R.; Rajaboina, R.K.; Ehm, L.; Parise, J.B. |
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| |
Title |
Effect of atomic mass contrast on lattice thermal conductivity : a case study for alkali halides and alkaline-earth chalcogenides |
Type |
A1 Journal article |
| |
Year |
2023 |
Publication |
ACS applied electronic materials |
Abbreviated Journal |
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| |
Volume |
5 |
Issue |
11 |
Pages |
5852-5863 |
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| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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| |
Abstract |
Lattice thermal conductivity (kappa(L)) is of great scientific interest for the development of efficient energy conversion technologies. Therefore, microscopic understanding of phonon transport is critically important for designing functional materials. In our previous study (Roshan et al., ACS Applied Energy Mater. 2021, 5, 882-896), anomalous kappa(L) trends were predicted for rocksalt alkaline-earth chalcogenides (AECs). In the present work, we extended it to alkali halides (AHs) and conducted a thorough investigation to explore the role of atomic mass contrast on lattice dynamics and phonon transport properties of 36 binary compounds (20 AHs + 16 AECs). The calculated spectral and cumulative kappa(L) reveal that low-lying optical phonon modes significantly boost kappa(L) alongside acoustic phonons in materials where the atomic mass ratio approaches unity and cophonocity nears zero. Phonon scattering rates are relatively low for materials with a mass ratio close to one, and the corresponding phonon lifetimes are higher, which enhances kappa(L). Phonon lifetimes play a critical role, outweighing phonon group velocities, in determining the anomalous trends in kappa(L) for both AHs and AECs. To further explore the role of atomic mass contrast in kappa(L), the effect of tensile lattice strain on phonon transport has also been investigated. Under tensile strain, both group velocities and phonon lifetimes decrease in the low frequency range, leading to a decrease in kappa(L). This work provides insights on how atomic mass contrast can tune the contribution of optical phonons to kappa(L) and its implications on scattering rates by either enhancing or suppressing kappa(L). These insights would aid in the selection of elements for designing new functional materials with and without atomic mass contrast to achieve relatively high and low kappa(L) values, respectively. |
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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 |
001096792500001 |
Publication Date |
2023-10-26 |
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Series Editor |
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Series Title |
|
Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
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| |
ISSN |
2637-6113 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
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| |
Impact Factor |
|
Times cited |
|
Open Access |
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| |
Notes |
|
Approved |
Most recent IF: NA |
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| |
Call Number |
UA @ admin @ c:irua:201198 |
Serial |
9026 |
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| Permanent link to this record |
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Author |
Laffez, P.; Van Tendeloo, G.; Seshadri, R.; Hervieu, M.; Martin, C.; Maignan, A.; Raveau, B. |
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| |
Title |
Microstructural and physical properties of layered manganite oxides related to the magnetoresistive perovskites |
Type |
A1 Journal article |
| |
Year |
1996 |
Publication |
Journal of applied physics |
Abbreviated Journal |
J Appl Phys |
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| |
Volume |
80 |
Issue |
|
Pages |
5850-5856 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
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Language |
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Wos |
A1996VU98700045 |
Publication Date |
2002-07-26 |
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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 |
0021-8979; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
2.183 |
Times cited |
36 |
Open Access |
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| |
Notes |
|
Approved |
no |
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| |
Call Number |
UA @ lucian @ c:irua:17848 |
Serial |
2039 |
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| Permanent link to this record |
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Author |
Spyrou, K.; Potsi, G.; Diamanti, E.K.; Ke, X.; Serestatidou, E.; Verginadis, I.I.; Velalopoulou, A.P.; Evangelou, A.M.; Deligiannakis, Y.; Van Tendeloo, G.; Gournis, D.; Rudolf, P.; |
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| |
Title |
Towards Novel Multifunctional Pillared Nanostructures: Effective Intercalation of Adamantylamine in Graphene Oxide and Smectite Clays |
Type |
A1 Journal article |
| |
Year |
2014 |
Publication |
Advanced functional materials |
Abbreviated Journal |
Adv Funct Mater |
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| |
Volume |
24 |
Issue |
37 |
Pages |
5841-5850 |
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| |
Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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| |
Abstract |
Multifunctional pillared materials are synthesized by the intercalation of cage-shaped adamantylamine (ADMA) molecules into the interlayer space of graphite oxide (GO) and aluminosilicate clays. The physicochemical and structural properties of these hybrids, determined by X-ray diffraction (XRD), Fourier transform infrared (FTIR), Raman and X-ray photoemission (XPS) spectroscopies and transmission electron microscopy (TEM) show that they can serve as tunable hydrophobic/hydrophilic and stereospecific nanotemplates. Thus, in ADMA-pillared clay hybrids, the phyllomorphous clay provides a hydrophilic nanoenvironment where the local hydrophobicity is modulated by the presence of ADMA moieties. On the other hand, in the ADMA-GO hybrid, both the aromatic rings of GO sheets and the ADMA molecules define a hydrophobic nanoenvironment where sp(3)-oxo moieties (epoxy, hydroxyl and carboxyl groups), present on GO, modulate hydrophilicity. As test applications, these pillared nanostructures are capable of selective/stereospecific trapping of small chlorophenols or can act as cytotoxic agents. |
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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 |
Weinheim |
Editor |
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| |
Language |
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Wos |
000342794500008 |
Publication Date |
2014-07-19 |
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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 |
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Edition |
|
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| |
ISSN |
1616-301X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
12.124 |
Times cited |
19 |
Open Access |
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| |
Notes |
|
Approved |
Most recent IF: 12.124; 2014 IF: 11.805 |
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| |
Call Number |
UA @ lucian @ c:irua:121085 |
Serial |
3686 |
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| Permanent link to this record |
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Author |
Damm, H.; Adriaensens, P.; De Dobbelaere, C.; Capon, B.; Elen, K.; Drijkoningen, J.; Conings, B.; Manca, J.V.; D’Haen, J.; Detavernier, C.; Magusin, P.C.M.M.; Hadermann, J.; Hardy, A.; Van Bael, M.K.; |
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| |
Title |
Factors Influencing the Conductivity of Aqueous Sol(ution)-Gel-Processed Al-Doped ZnO Films |
Type |
A1 Journal article |
| |
Year |
2014 |
Publication |
Chemistry of materials |
Abbreviated Journal |
Chem Mater |
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| |
Volume |
26 |
Issue |
20 |
Pages |
5839-5851 |
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| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000343950300004 |
Publication Date |
2014-10-06 |
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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 |
|
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| |
ISSN |
0897-4756;1520-5002; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
9.466 |
Times cited |
24 |
Open Access |
|
|
| |
Notes |
|
Approved |
Most recent IF: 9.466; 2014 IF: 8.354 |
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| |
Call Number |
UA @ lucian @ c:irua:121211 |
Serial |
1170 |
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| Permanent link to this record |
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| |
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Author |
Peng, L.; Xie, Y.; Van Beeck, W.; Zhu, W.; Van Tendeloo, M.; Tytgat, T.; Lebeer, S.; Vlaeminck, S.E. |
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| |
Title |
Return-sludge treatment with endogenous free nitrous acid limits nitrate production and N₂O emission for mainstream partial nitritation/anammox |
Type |
A1 Journal article |
| |
Year |
2020 |
Publication |
Environmental Science & Technology |
Abbreviated Journal |
Environ Sci Technol |
|
| |
Volume |
54 |
Issue |
9 |
Pages |
5822-5831 |
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| |
Keywords |
A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
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| |
Abstract |
Nitrite oxidizing bacteria (NOB) and nitrous oxide (N2O) hinder the development of mainstream partial nitritation/anammox. To overcome these, endogenous free ammonia (FA) and free nitrous acid (FNA), which can be produced in the sidestream, were used for return-sludge treatment for two integrated-film activated sludge reactors containing biomass in flocs and on carriers. The repeated exposure of biomass from one reactor to FA shocks had a limited impact on NOB suppression but inhibited anammox bacteria (AnAOB). In the other reactor, repeated FNA shocks to the separated flocs failed to limit the system’s nitrate production since NOB activity was still high on the biofilms attached to the unexposed carriers. In contrast, the repeated FNA treatment of flocs and carriers favored aerobic ammonium-oxidizing bacteria (AerAOB) over NOB activity with AnAOB negligibly affected. It was further revealed that return-sludge treatment with higher FNA levels led to lower N2O emissions under similar effluent nitrite concentrations. On this basis, weekly 4 h FNA shocks of 2.0 mg of HNO2-N/L were identified as an optimal and realistic treatment, which not only enabled nitrogen removal efficiencies of ∼65% at nitrogen removal rates of ∼130 mg of N/L/d (20 °C) but also yielded the lowest cost and carbon footprint. |
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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 |
000530651900057 |
Publication Date |
2020-03-27 |
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| |
Series Editor |
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Series Title |
|
Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
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| |
ISSN |
0013-936x; 1520-5851 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
11.4 |
Times cited |
1 |
Open Access |
|
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| |
Notes |
; This study was supported by the European Commission Horizon 2020 Program through Marie Curie Individual Fellowship (N2OPNA-708592). W. V.B. and S. L. were supported by grants from the Flanders Innovation and Entrepreneurship Agency [IWT-SBO ProCure project (IWT/50052) by IWT-SBO ProCure and internal Uantwerpen funding]. The authors are grateful to the research collaboration. The authors declare no conflict of interest. ; |
Approved |
Most recent IF: 11.4; 2020 IF: 6.198 |
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| |
Call Number |
UA @ admin @ c:irua:168829 |
Serial |
6596 |
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| Permanent link to this record |
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| |
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Author |
Tadić, M.; Peeters, F.M.; Janssens, K.L.; Korkusinski, M.; Hawrylak, P. |
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| |
Title |
Strain and band edges in single and coupled cylindrical InAs/GaAs and InP/InGaP self-assembled quantum dots |
Type |
A1 Journal article |
| |
Year |
2002 |
Publication |
Journal of applied physics |
Abbreviated Journal |
J Appl Phys |
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| |
Volume |
92 |
Issue |
10 |
Pages |
5819-5829 |
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| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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| |
Abstract |
A comparative study is made of the strain distribution in cylindrical InAs/GaAs and InP/InGaP self-assembled quantum dots as obtained from isotropic elasticity theory, the anisotropic continuum mechanical model, and from atomistic calculations. For the isotropic case, the recently proposed approach [J. H. Davies, J. Appl. Phys. 84, 1358 (1998)] is used, while the finite-element method, the valence force field method, and Stillinger-Weber potentials are employed to calculate the strain in anisotropic structures. We found that all four methods result in strain distributions of similar shapes, but with notable quantitative differences inside the dot and near the disk-matrix boundary. The variations of the diagonal strains with the height of the quantum dot, with fixed radius, as calculated from all models, are almost linear. Furthermore, the energies of the band edges in the two types of quantum dots are extracted from the multiband effective-mass theory by inserting the strain distributions as obtained by the four models. We demonstrated that all strain models produce effective potentials for the heavy and light holes which agree very well inside the dot. A negligible anisotropy of all normal strains in the (x,y) plane is found, which, providing the axial symmetry of the kinetic part of the multiband effective-mass Hamiltonian, justifies the use of the axial approximation. Strain propagation along the vertical direction is also considered with the aim to study the influence of strain on the electron coupling in stacks of quantum dots. We found that the interaction between the strain fields of the individual quantum dots makes the effective quantum wells for the electrons in the conduction band shallower, thereby counteracting the quantum mechanical coupling. (C) 2002 American Institute of Physics. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
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Language |
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Wos |
000178987200036 |
Publication Date |
2002-11-07 |
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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 |
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Edition |
|
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| |
ISSN |
0021-8979; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
2.068 |
Times cited |
73 |
Open Access |
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| |
Notes |
|
Approved |
Most recent IF: 2.068; 2002 IF: 2.281 |
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Call Number |
UA @ lucian @ c:irua:103327 |
Serial |
3164 |
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| Permanent link to this record |
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Author |
Hai, G.-Q.; Studart, N.; Peeters, F.M.; Koenraad, P.M.; Wolter, J.H. |
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Title |
Intersubband-coupling and screening effects on the electron transport in a quasi-two-dimensional δ-doped semiconductor system |
Type |
A1 Journal article |
| |
Year |
1996 |
Publication |
Journal of applied physics |
Abbreviated Journal |
J Appl Phys |
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Volume |
80 |
Issue |
|
Pages |
5809-5814 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
The effects due to intersubband coupling and screening on the ionized impurity scattering are studied for a quasi-two-dimensional electron system in delta-doped semiconductors. We found that intersubband coupling plays an essential role in describing the screening properties and the effect of ionized impurity scattering on the mobility in a multisubband system. At the onset of the occupation of a higher subband, the screening due to the intersubband coupling leads to a reduction of the small angle scattering rate in the lower subband. We showed that such an effect is significant in a delta-doped quantum well and results in a pronounced increase of the quantum mobility at the onset of the occupation of a higher subband. (C) 1996 American Institute of Physics. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
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Language |
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Wos |
A1996VU98700039 |
Publication Date |
2002-07-26 |
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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 |
0021-8979; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
2.183 |
Times cited |
40 |
Open Access |
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| |
Notes |
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Approved |
no |
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| |
Call Number |
UA @ lucian @ c:irua:15789 |
Serial |
1712 |
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| Permanent link to this record |
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Author |
Snoeckx, R.; Bogaerts, A. |
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| |
Title |
Plasma technology – a novel solution for CO2conversion? |
Type |
A1 Journal article |
| |
Year |
2017 |
Publication |
Chemical Society reviews |
Abbreviated Journal |
Chem Soc Rev |
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| |
Volume |
46 |
Issue |
19 |
Pages |
5805-5863 |
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| |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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| |
Abstract |
CO2 conversion into value-added chemicals and fuels is considered as one of the great challenges of the 21st century. Due to the limitations of the traditional thermal approaches, several novel technologies are being developed. One promising approach in this field, which has received little attention to date, is plasma
technology. Its advantages include mild operating conditions, easy upscaling, and gas activation by energetic electrons instead of heat. This allows thermodynamically difficult reactions, such as CO2 splitting and the dry reformation of methane, to occur with reasonable energy cost. In this review, after exploring the traditional thermal approaches, we have provided a brief overview of the fierce competition between various novel approaches in a quest to find the most effective and efficient CO2 conversion technology. This is needed to critically assess whether plasma technology can be successful in an already crowded arena. The following questions need to be answered in this regard: are there key advantages to using plasma technology over other novel approaches, and if so, what is the flip side to the use of this technology? Can plasma technology be successful on its own, or can synergies be achieved by combining it with other technologies? To answer
these specific questions and to evaluate the potentials and limitations of plasma technology in general, this review presents the current state-of-the-art and a critical assessment of plasma-based CO2 conversion, as well as the future challenges for its practical implementation. |
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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 |
000412141600006 |
Publication Date |
2017-08-21 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
|
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| |
ISSN |
0306-0012 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
38.618 |
Times cited |
168 |
Open Access |
OpenAccess |
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| |
Notes |
We would like to thank W. Wang (University of Antwerp) for providing the data on the thermal equilibrium conversions. Furthermore, we acknowledge financial support from the IAP/7 (Inter-university Attraction Pole) programme ‘PSI-Physical Chemistry of Plasma-Surface Interactions’ by the Belgian Federal Office for Science Policy (BELSPO), the Methusalem financing of the University of Antwerp, the Fund for Scientific Research Flanders (FWO; Grant no. G.0383.16N, G.0254.14N and G.0217.14N), the TOP research project of the Research Fund of the University of Antwerp (grant ID. 32249). |
Approved |
Most recent IF: 38.618 |
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| |
Call Number |
PLASMANT @ plasmant @c:irua:145921 |
Serial |
4709 |
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| Permanent link to this record |
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Author |
Verlackt, C.C.W.; Van Boxem, W.; Dewaele, D.; Lemière, F.; Sobott, F.; Benedikt, J.; Neyts, E.C.; Bogaerts, A. |
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Title |
Mechanisms of Peptide Oxidation by Hydroxyl Radicals: Insight at the Molecular Scale |
Type |
A1 Journal article |
| |
Year |
2017 |
Publication |
The journal of physical chemistry: C : nanomaterials and interfaces |
Abbreviated Journal |
J Phys Chem C |
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| |
Volume |
121 |
Issue |
121 |
Pages |
5787-5799 |
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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 |
Molecular dynamics (MD) simulations were performed to provide atomic scale insight in the initial interaction between hydroxyl radicals (OH) and peptide systems in solution. These OH radicals are representative reactive oxygen species produced by cold atmospheric plasmas. The use of plasma for biomedical applications is gaining increasing interest, but the fundamental mechanisms behind the plasma modifications still remain largely elusive. This study helps to gain more insight in the underlying mechanisms of plasma medicine but is also more generally applicable to peptide oxidation, of interest for other applications. Combining both reactive and nonreactive MD simulations, we are able to elucidate the reactivity of the amino acids inside the peptide systems and their effect on their structure up to 1 μs. Additionally, experiments were performed, treating the simulated peptides with a plasma jet. The computational results presented here correlate well with the obtained experimental data and highlight the importance of the chemical environment for the reactivity of the individual amino acids, so that specific amino acids are attacked in higher numbers than expected. Furthermore, the long time scale simulations suggest that a single oxidation has an effect on the 3D conformation due to an increase in hydrophilicity and intra- and intermolecular interactions. |
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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 |
000396969900037 |
Publication Date |
2017-03-16 |
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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 |
|
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 |
Fonds Wetenschappelijk Onderzoek, G012413N ; |
Approved |
Most recent IF: 4.536 |
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| |
Call Number |
PLASMANT @ plasmant @ c:irua:142202 |
Serial |
4537 |
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| Permanent link to this record |
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Author |
Cai, J.; Griffin, E.; Guarochico-Moreira, V.H.; Barry, D.; Xin, B.; Yagmurcukardes, M.; Zhang, S.; Geim, A.K.; Peeters, F.M.; Lozada-Hidalgo, M. |
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Title |
Wien effect in interfacial water dissociation through proton-permeable graphene electrodes |
Type |
A1 Journal article |
| |
Year |
2022 |
Publication |
Nature communications |
Abbreviated Journal |
Nat Commun |
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| |
Volume |
13 |
Issue |
1 |
Pages |
5776-5777 |
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| |
Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
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| |
Abstract |
Strong electric fields can accelerate molecular dissociation reactions. The phenomenon known as the Wien effect was previously observed using high-voltage electrolysis cells that produced fields of about 10(7) V m(-1), sufficient to accelerate the dissociation of weakly bound molecules (e.g., organics and weak electrolytes). The observation of the Wien effect for the common case of water dissociation (H2O reversible arrow H+ + OH-) has remained elusive. Here we study the dissociation of interfacial water adjacent to proton-permeable graphene electrodes and observe strong acceleration of the reaction in fields reaching above 10(8) V m(-1). The use of graphene electrodes allows measuring the proton currents arising exclusively from the dissociation of interfacial water, while the electric field driving the reaction is monitored through the carrier density induced in graphene by the same field. The observed exponential increase in proton currents is in quantitative agreement with Onsager's theory. Our results also demonstrate that graphene electrodes can be valuable for the investigation of various interfacial phenomena involving proton transport. |
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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 |
000862552600012 |
Publication Date |
2022-10-01 |
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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 |
|
Series Issue |
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Edition |
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| |
ISSN |
2041-1723 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
16.6 |
Times cited |
3 |
Open Access |
OpenAccess |
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Notes |
|
Approved |
Most recent IF: 16.6 |
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| |
Call Number |
UA @ admin @ c:irua:191575 |
Serial |
7228 |
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| Permanent link to this record |
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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 |
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| |
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) |
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| |
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 |
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Series Editor |
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Series Title |
|
Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
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| |
ISSN |
2576-6422 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
|
Times cited |
|
Open Access |
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| |
Notes |
|
Approved |
no |
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| |
Call Number |
UA @ admin @ c:irua:180356 |
Serial |
8166 |
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| Permanent link to this record |
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Author |
Yusupov, M.; Wende, K.; Kupsch, S.; Neyts, E.C.; Reuter, S.; Bogaerts, A. |
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Title |
Effect of head group and lipid tail oxidation in the cell membrane revealed through integrated simulations and experiments |
Type |
A1 Journal article |
| |
Year |
2017 |
Publication |
Scientific reports |
Abbreviated Journal |
Sci Rep-Uk |
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| |
Volume |
7 |
Issue |
7 |
Pages |
5761 |
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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 |
We report on multi-level atomistic simulations for the interaction of reactive oxygen species (ROS) with the head groups of the phospholipid bilayer, and the subsequent effect of head group and lipid tail oxidation on the structural and dynamic properties of the cell membrane. Our simulations are validated by experiments using a cold atmospheric plasma as external ROS source. We found that plasma treatment leads to a slight initial rise in membrane rigidity, followed by a strong and persistent increase in fluidity, indicating a drop in lipid order. The latter is also revealed by our simulations. This study is important for cancer treatment by therapies producing (extracellular) ROS, such as plasma treatment. These ROS will interact with the cell membrane, first oxidizing the head groups, followed by the lipid tails. A drop in lipid order might allow them to penetrate into the cell interior (e.g., through pores created due to oxidation of the lipid tails) and cause intracellular oxidative damage, eventually leading to cell death. This work in general elucidates the underlying mechanisms of ROS interaction with the cell membrane at the atomic level. |
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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 |
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| |
Language |
|
Wos |
000405746500072 |
Publication Date |
2017-07-12 |
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| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
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| |
ISSN |
2045-2322 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
4.259 |
Times cited |
27 |
Open Access |
OpenAccess |
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Notes |
M.Y. gratefully acknowledges financial support from the Research Foundation – Flanders (FWO), grant number 1200216 N. The computational work was carried out using the Turing HPC infrastructure at the CalcUA core facility of the Universiteit Antwerpen (UA), a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government (department EWI) and the UA. S.R. and S.K. acknowledge funding by the BMBF (FKZ: 03Z2DN12). S.R. acknowledges funding by the Ministry of Education, Science and Culture of the State of Mecklenburg-Vorpommern (AU 15001). The authors thank M. Hammer for the support and discussion in the biophysical studies and J. Van der Paal for the interesting discussions. |
Approved |
Most recent IF: 4.259 |
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| |
Call Number |
PLASMANT @ plasmant @ c:irua:144627 |
Serial |
4630 |
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| Permanent link to this record |
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Author |
Heyer, S.; Janssen, W.; Turner, S.; Lu, Y.-G.; Yeap, W.S.; Verbeeck, J.; Haenen, K.; Krueger, A. |
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Title |
Toward deep blue nano hope diamonds : heavily boron-doped diamond nanoparticles |
Type |
A1 Journal article |
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Year |
2014 |
Publication |
ACS nano |
Abbreviated Journal |
Acs Nano |
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Volume |
8 |
Issue |
6 |
Pages |
5757-5764 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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Abstract |
The production of boron-doped diamond nanoparticles enables the application of this material for a broad range of fields, such as electrochemistry, thermal management, and fundamental superconductivity research. Here we present the production of highly boron-doped diamond nanoparticles using boron-doped CVD diamond films as a starting material. In a multistep milling process followed by purification and surface oxidation we obtained diamond nanoparticles of 1060 nm with a boron content of approximately 2.3 × 1021 cm3. Aberration-corrected HRTEM reveals the presence of defects within individual diamond grains, as well as a very thin nondiamond carbon layer at the particle surface. The boron K-edge electron energy-loss near-edge fine structure demonstrates that the B atoms are tetrahedrally embedded into the diamond lattice. The boron-doped diamond nanoparticles have been used to nucleate growth of a boron-doped diamond film by CVD that does not contain an insulating seeding layer. |
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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 |
000338089200039 |
Publication Date |
2014-04-09 |
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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 |
1936-0851;1936-086X; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
13.942 |
Times cited |
71 |
Open Access |
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Notes |
the Research Foundation Flanders (FWO-Vlaanderen) (G.0555.10N;G.0568.10N; G.0456.12; G0044.13N and a postdoctoral scholarship for S.T.); EU FP7 through Marie Curie ITN “MATCON” (PITNGA-127 2009-238201)the Collaborative Project “DINAMO” (No. 245122) Integrated Infrastructure Initiative, Reference No. 312483-ESTEEM2.; esteem2_jra3 |
Approved |
Most recent IF: 13.942; 2014 IF: 12.881 |
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Call Number |
UA @ lucian @ c:irua:117599 |
Serial |
3683 |
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Author |
Xia, C.; Winckelmans, N.; Prins, P.T.; Bals, S.; Gerritsen, H.C.; de Mello Donegá, C. |
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Title |
Near-Infrared-Emitting CuInS2/ZnS Dot-in-Rod Colloidal Heteronanorods by Seeded Growth |
Type |
A1 Journal article |
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Year |
2018 |
Publication |
Journal of the American Chemical Society |
Abbreviated Journal |
J Am Chem Soc |
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Volume |
140 |
Issue |
140 |
Pages |
5755-5763 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
Synthesis protocols for anisotropic CuInX2 (X = S, Se, Te)-based heteronanocrystals (HNCs) are scarce due to the difficulty in balancing the reactivities of multiple precursors and the high solid-state diffusion rates of the cations involved in the CuInX2 lattice. In this work, we report a multistep seeded growth synthesis protocol that yields colloidal wurtzite CuInS2/ZnS dot core/rod shell HNCs with photoluminescence in the NIR (∼800 nm). The wurtzite CuInS2 NCs used as seeds are obtained by topotactic partial Cu+ for In3+ cation exchange in template Cu2–xS NCs. The seed NCs are injected in a hot solution of zinc oleate and hexadecylamine in octadecene, 20 s after the injection of sulfur in octadecene. This results in heteroepitaxial growth of wurtzite ZnS primarily on the Sulfur-terminated polar facet of the CuInS2 seed NCs, the other facets being overcoated only by a thin (∼1 monolayer) shell. The fast (∼21 nm/min) asymmetric axial growth of the nanorod proceeds by addition of [ZnS] monomer units, so that the polarity of the terminal (002) facet is preserved throughout the growth. The delayed injection of the CuInS2 seed NCs is crucial to allow the concentration of [ZnS] monomers to build up, thereby maximizing the anisotropic heteroepitaxial growth rates while minimizing the rates of competing processes (etching, cation exchange, alloying). Nevertheless, a mild etching still occurred, likely prior to the onset of heteroepitaxial overgrowth, shrinking the core size from 5.5 to ∼4 nm. The insights provided by this work open up new possibilities in designing multifunctional Cu-chalcogenide based colloidal heteronanocrystals. |
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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 |
000431600000016 |
Publication Date |
2018-03-29 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0002-7863 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
13.858 |
Times cited |
43 |
Open Access |
OpenAccess |
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Notes |
Chenghui Xia acknowledges China Scholarship Council (CSC) for financial support (NO. 201406330055). S.B and N.W. acknowledge funding from the European Research Council (Starting Grant No. COLOURATOMS 335078). C.d.M.D. acknowledge financial support from the division of Chemical Sciences (CW) of The Netherlands Organization for Scientific Research (NWO) under Grant Number ECHO.712.014.001. The authors thank Xiaobin Xie and Da Wang for some TEM measurements, Donglong Fu for XRD measurements, Christina H. M. van Oversteeg for ICP-OES measurements, and Chun-Che Lin for suggestions regarding the synthesis. ECAS_Sara (ROMEO:white; preprint:; postprint:restricted 12 months embargo; pdfversion:cannot); |
Approved |
Most recent IF: 13.858 |
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Call Number |
EMAT @ emat @c:irua:150362UA @ admin @ c:irua:150362 |
Serial |
4917 |
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