Records |
Author |
Singh, V.; Mehta, B.R.; Sengar, S.K.; Karakulina, O.M.; Hadermann, J.; Kaushal, A. |
Title |
Achieving independent control of core diameter and carbon shell thickness in Pd-C core–shell nanoparticles by gas phase synthesis |
Type |
A1 Journal article |
Year |
2017 |
Publication |
Nanotechnology |
Abbreviated Journal |
Nanotechnology |
Volume |
28 |
Issue ![sorted by Issue field, ascending order (up)](img/sort_asc.gif) |
29 |
Pages |
295603 |
Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
Abstract |
Pd-C core–shell nanoparticles with independently controllable core size and shell thickness are grown by gas phase synthesis. First, the core size is selected by electrical mobility values of charged particles, and second, the shell thickness is controlled by the concentration of carbon precursor gas. The carbon shell grows by adsorption of carbon precursor gas molecules on the surface of nanoparticles, followed by sintering. The presence of a carbon shell on Pd nanoparticles is potentially important in hydrogen-related applications operating at high temperatures or in catalytic reactions in acidic/aqueous environments. |
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 |
000404633200002 |
Publication Date |
2017-06-28 |
Series Editor |
|
Series Title |
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Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0957-4484 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.44 |
Times cited |
1 |
Open Access |
Not_Open_Access |
Notes |
VS is thankful to the All India Council for Technical Education, India, for providing assistantship under its Quality Improvement Programme. BRM gratefully acknowledges the support of the Nanomission Programme of the Department of Science and Technology (DST), India and Schlumberger Chair Professorship. BRM would also like to acknowledge the support from the project funded by BRNS, DAE, India. |
Approved |
Most recent IF: 3.44 |
Call Number |
EMAT @ emat @c:irua:144831 |
Serial |
4712 |
Permanent link to this record |
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|
|
Author |
Vermeiren, V.; Bogaerts, A. |
Title |
Improving the Energy Efficiency of CO2Conversion in Nonequilibrium Plasmas through Pulsing |
Type |
A1 Journal article |
Year |
2019 |
Publication |
The journal of physical chemistry: C : nanomaterials and interfaces |
Abbreviated Journal |
J Phys Chem C |
Volume |
123 |
Issue ![sorted by Issue field, ascending order (up)](img/sort_asc.gif) |
29 |
Pages |
17650-17665 |
Keywords |
A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
Nonequilibrium plasmas offer a pathway for energy-efficient CO2 conversion through vibrationally induced dissociation. However, the efficiency of this pathway is limited by a rise in gas temperature, which increases vibrational−translational (VT) relaxation and quenches the vibrational levels. Therefore, we investigate here the effect of plasma pulsing on the VT nonequilibrium and on the CO2 conversion by means of a zerodimensional chemical kinetics model, with self-consistent gas temperature calculation. Specifically, we show that higher energy efficiencies can be reached by correctly tuning the plasma pulse and interpulse times. The ideal plasma pulse time corresponds to the time needed to reach the highest vibrational temperature. In addition, the highest energy efficiencies are obtained with long interpulse times, that is, ≥0.1 s, in which the gas temperature can entirely drop to room temperature. Furthermore, additional cooling of the reactor walls can give higher energy efficiencies at shorter interpulse times of 1 ms. Finally, our model shows that plasma pulsing can significantly improve the energy efficiency at low reduced electric fields (50 and 100 Td, typical for microwave and gliding arc plasmas) and intermediate ionization degrees (5 × 10−7 and 10−6). |
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 |
000477785000003 |
Publication Date |
2019-07-25 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1932-7447 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
4.536 |
Times cited |
1 |
Open Access |
|
Notes |
Fonds Wetenschappelijk Onderzoek, G.0383.16N ; This research was supported by the FWO project (grant G.0383.16N). The calculations were performed using the Turing HPC infrastructure at the CalcUA core facility of the Universiteit Antwerpen (UAntwerpen), a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government (department EWI), and the UAntwerpen. We also like to thank N. Britun (ChIPS) for the interesting discussions. |
Approved |
Most recent IF: 4.536 |
Call Number |
PLASMANT @ plasmant @c:irua:161621 |
Serial |
5289 |
Permanent link to this record |
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Author |
Verlinden, G.; Gijbels, R.; Geuens, I. |
Title |
Chemical microcharacterization of ultrathin iodide conversion layers and adsorbed thiocyanate surface layers on silver halide microcrystals with time-of-flight SIMS |
Type |
A1 Journal article |
Year |
2002 |
Publication |
Microscopy and microanalysis |
Abbreviated Journal |
Microsc Microanal |
Volume |
8 |
Issue ![sorted by Issue field, ascending order (up)](img/sort_asc.gif) |
3 |
Pages |
216-226 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
The technique of imaging time-of-flight secondary ion mass spectrometry (TOF-SIMS) and dual beam depth,profiling has been used to study the composition of the surface of tabular silver halide microcrystals. Analysis of individual microcrystals with a size well below 1 mum from a given emulsion is possible. The method is successfully applied for the characterization of silver halide microcrystals with subpercent global iodide concentrations confined in surface layers with a thickness below 5 nm. The developed TOF-SIMS analytical procedure is explicitly demonstrated for the molecular imaging of adsorbed thiocyanate layers (SCN) at crystal surfaces of individual crystals and for the differentiation of iodide conversion layers synthesized with KI and with AgI micrates (nanocrystals with a size between 10 and 50 nm). It can be concluded that TOF-SIMS as a microanalytical, surface-sensitive technique has some unique properties over other analytical techniques for the study of complex structured surface layers of silver halide microcrystals. This offers valuable information to support the synthesis of future photographic emulsions. |
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, Mass. |
Editor |
|
Language |
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Wos |
000179055900007 |
Publication Date |
2002-11-13 |
Series Editor |
|
Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1431-9276; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
1.891 |
Times cited |
1 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 1.891; 2002 IF: 1.733 |
Call Number |
UA @ lucian @ c:irua:103876 |
Serial |
349 |
Permanent link to this record |
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Author |
Peelaers, H.; Partoens, B.; Tatyanenko, D.V.; Peeters, F.M. |
Title |
Dynamics of scattering on a classical two-dimensional artificial atom |
Type |
A1 Journal article |
Year |
2007 |
Publication |
Physical review : E : statistical physics, plasmas, fluids, and related interdisciplinary topics |
Abbreviated Journal |
Phys Rev E |
Volume |
75 |
Issue ![sorted by Issue field, ascending order (up)](img/sort_asc.gif) |
3 |
Pages |
036606,1-8 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
A classical two-dimensional (2D) model for an artificial atom is used to make a numerical exact study of elastic and nonelastic scattering. Interesting differences in the scattering angle distribution between this model and the well-known Rutherford scattering are found in the small energy and/or small impact parameter scattering regime. For scattering off a classical 2D hydrogen atom different phenomena such as ionization, exchange of particles, and inelastic scattering can occur. A scattering regime diagram is constructed as function of the impact parameter (b) and the initial velocity (v) of the incoming particle. In a small regime of the (b,v) space the system exhibits chaos, which is studied in more detail. Analytic expressions for the scattering angle are given in the high impact parameter asymptotic limit. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Lancaster, Pa |
Editor |
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Language |
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Wos |
000245324700062 |
Publication Date |
2007-03-14 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1539-3755;1550-2376; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.366 |
Times cited |
1 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 2.366; 2007 IF: 2.483 |
Call Number |
UA @ lucian @ c:irua:64290 |
Serial |
782 |
Permanent link to this record |
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Author |
Du, G.H.; Van Tendeloo, G. |
Title |
Formation of Mn304/C core-shell nanowires and a new MN-O phase by electron beam irradiation |
Type |
A1 Journal article |
Year |
2008 |
Publication |
Applied physics A : materials science & processing |
Abbreviated Journal |
Appl Phys A-Mater |
Volume |
91 |
Issue ![sorted by Issue field, ascending order (up)](img/sort_asc.gif) |
3 |
Pages |
393-395 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
|
Address |
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Corporate Author |
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Thesis |
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Publisher |
|
Place of Publication |
Heidelberg |
Editor |
|
Language |
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Wos |
000255089300007 |
Publication Date |
2008-03-04 |
Series Editor |
|
Series Title |
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Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0947-8396;1432-0630; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
1.455 |
Times cited |
1 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 1.455; 2008 IF: 1.884 |
Call Number |
UA @ lucian @ c:irua:69128 |
Serial |
1262 |
Permanent link to this record |
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Author |
Lujan, G.S.; Sorée, B.; Magnus, W.; de Meyer, K. |
Title |
A method to calculate tunneling leakage currents in silicon inversion layers |
Type |
A1 Journal article |
Year |
2006 |
Publication |
Journal of applied physics |
Abbreviated Journal |
J Appl Phys |
Volume |
100 |
Issue ![sorted by Issue field, ascending order (up)](img/sort_asc.gif) |
3 |
Pages |
033708,1-5 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
|
Address |
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Corporate Author |
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Thesis |
|
Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
|
Language |
|
Wos |
000239764100051 |
Publication Date |
2006-08-30 |
Series Editor |
|
Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0021-8979; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.068 |
Times cited |
1 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 2.068; 2006 IF: 2.316 |
Call Number |
UA @ lucian @ c:irua:60963 |
Serial |
2016 |
Permanent link to this record |
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|
Author |
Bogaerts, A.; de Bleecker, K.; Georgieva, V.; Herrebout, D.; Kolev, I.; Madani, M.; Neyts, E. |
Title |
Numerical modeling for a better understanding of gas discharge plasmas |
Type |
A1 Journal article |
Year |
2005 |
Publication |
High temperature material processes |
Abbreviated Journal |
High Temp Mater P-Us |
Volume |
9 |
Issue ![sorted by Issue field, ascending order (up)](img/sort_asc.gif) |
3 |
Pages |
321-344 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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 |
000231634100001 |
Publication Date |
2005-10-07 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1093-3611; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
|
Times cited |
1 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: NA |
Call Number |
UA @ lucian @ c:irua:55832 |
Serial |
2398 |
Permanent link to this record |
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|
|
Author |
De Meulenaere, P.; Van Tendeloo, G.; van Landuyt, J.; Mommaert, C.; Severne, G. |
Title |
Radiation defects and ordered radiation patterns in Ni and Ni4Mo: a study by electron microscopy |
Type |
A1 Journal article |
Year |
1993 |
Publication |
Philosophical magazine: A: physics of condensed matter: defects and mechanical properties |
Abbreviated Journal |
|
Volume |
67 |
Issue ![sorted by Issue field, ascending order (up)](img/sort_asc.gif) |
3 |
Pages |
745-756 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
|
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
London |
Editor |
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Language |
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Wos |
A1993 |
Publication Date |
2007-07-08 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0141-8610;1460-6992; |
ISBN |
|
Additional Links |
UA library record; https://www.webofscience.com/api/gateway?GWVersion=2&SrcApp=PARTNER_APP&SrcAuth=LinksAMR&KeyUT=WOS:A1993; WoS full record; WoS citing articles |
Impact Factor |
|
Times cited |
1 |
Open Access |
|
Notes |
|
Approved |
|
Call Number |
UA @ lucian @ c:irua:6783 |
Serial |
2808 |
Permanent link to this record |
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|
|
Author |
van Daele, B.; Van Tendeloo, G.; Germain, M.; Leys, M.; Bougrioua, Z.; Moerman, I. |
Title |
Relation between microstructure and 2DEG properties of AlGaN/GaN structures |
Type |
A1 Journal article |
Year |
2002 |
Publication |
Physica status solidi: B: basic research |
Abbreviated Journal |
Phys Status Solidi B |
Volume |
234 |
Issue ![sorted by Issue field, ascending order (up)](img/sort_asc.gif) |
3 |
Pages |
830-834 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
|
Address |
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Corporate Author |
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Thesis |
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Publisher |
|
Place of Publication |
Berlin |
Editor |
|
Language |
|
Wos |
000180038200031 |
Publication Date |
2002-12-03 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0370-1972;1521-3951; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
1.674 |
Times cited |
1 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 1.674; 2002 IF: 0.930 |
Call Number |
UA @ lucian @ c:irua:54847 |
Serial |
2857 |
Permanent link to this record |
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|
|
Author |
Liu, S.; Wei, M.; Sui, X.; Cheng, X.; Cool, P.; Van Tendeloo, G. |
Title |
A scanning electron microscopy study on hollow silica microspheres: defects and influences of the synthesis composition |
Type |
A1 Journal article |
Year |
2009 |
Publication |
Journal of sol-gel science and technology |
Abbreviated Journal |
J Sol-Gel Sci Techn |
Volume |
49 |
Issue ![sorted by Issue field, ascending order (up)](img/sort_asc.gif) |
3 |
Pages |
373-379 |
Keywords |
A1 Journal article; Laboratory of adsorption and catalysis (LADCA); Electron microscopy for materials research (EMAT) |
Abstract |
Defects on hollow silica spheres synthesized in a tetraethylorthosilicate-octylamine-HCl-H2O system were recorded by scanning microscope. Based on the results, influences of synthesis composition on the formation of these defects are discussed. It is evidenced that products prepared with different octylamine-to-tetraethylorthosilicate ratios may have surface depressions, cracks and non-hollow microspheres. However, by changing water and acid additions, these defects could be reduced or eliminated. Generally, samples synthesized with a large octylamine addition commonly exhibit surface depressions. A small octylamine or a large water addition benefits the formation of solid silica microspheres among the product. Acid, although is not indispensable for the formation of hollow spheres, helps to eliminate or reduce depressions on the hollow shells. It is explained that the added acid gives rise to a relative localized fast hydrolysis versus condensation, facilitating an easy mobility of hydrolyzed silica species, and consequently the shell surface is smoothened. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
Kluwer |
Place of Publication |
Dordrecht |
Editor |
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Language |
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Wos |
000263260100015 |
Publication Date |
2008-12-16 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0928-0707;1573-4846; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
1.575 |
Times cited |
1 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 1.575; 2009 IF: 1.393 |
Call Number |
UA @ lucian @ c:irua:74962 |
Serial |
2941 |
Permanent link to this record |
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|
|
Author |
Khalilov, U.; Vets, C.; Neyts, E.C. |
Title |
Molecular evidence for feedstock-dependent nucleation mechanisms of CNTs |
Type |
A1 Journal article |
Year |
2019 |
Publication |
Nanoscale Horizons |
Abbreviated Journal |
Nanoscale Horiz. |
Volume |
4 |
Issue ![sorted by Issue field, ascending order (up)](img/sort_asc.gif) |
3 |
Pages |
674-682 |
Keywords |
A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
Atomic scale simulations have been shown to be a powerful tool for elucidating the growth mechanisms of carbon nanotubes. The growth picture is however not entirely clear yet due to the gap between current simulations and real experiments. We here simulate for the first time the nucleation and subsequent growth of single-wall carbon nanotubes (SWNTs) from oxygen-containing hydrocarbon feedstocks using the hybrid Molecular Dynamics/Monte Carlo technique. The underlying nucleation mechanisms of Ni-catalysed SWNT growth are discussed in detail. Specifically, we find that as a function of the feedstock, different carbon fractions may emerge as the main growth species, due to a competition between the feedstock decomposition, its rehydroxylation and its contribution to etching of the growing SWNT. This study provides a further understanding of the feedstock effects in SWNT growth in comparison with available experimental evidence as well as with<italic>ab initio</italic>and other simulation data, thereby reducing the simulation–experiment gap. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000471816500011 |
Publication Date |
2019-01-02 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
2055-6756 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
|
Times cited |
1 |
Open Access |
Not_Open_Access: Available from 03.01.2020
|
Notes |
Fonds Wetenschappelijk Onderzoek, 12M1318N 1S22516N ; The authors gratefully acknowledge financial support from the Research Foundation Flanders (FWO), Belgium (Grant numbers 12M1318N and 1S22516N). The work was carried out in part using the CalcUA core facility of the Universiteit Antwerpen, a division of the Flemish Supercomputer Centre VSC, funded by FWO and the Flemish Government (Department EWI). We thank Prof. A. C. T. van Duin for sharing the reax-code and forcefield parameters. |
Approved |
Most recent IF: NA |
Call Number |
PLASMANT @ plasmant @UA @ admin @ c:irua:159658 |
Serial |
5169 |
Permanent link to this record |
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|
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Author |
Tan, X.; McCabe, E.E.; Orlandi, F.; Manuel, P.; Batuk, M.; Hadermann, J.; Deng, Z.; Jin, C.; Nowik, I.; Herber, R.; Segre, C.U.; Liu, S.; Croft, M.; Kang, C.-J.; Lapidus, S.; Frank, C.E.; Padmanabhan, H.; Gopalan, V.; Wu, M.; Li, M.-R.; Kotliar, G.; Walker, D.; Greenblatt, M. |
Title |
MnFe0.5Ru0.5O3 : an above-room-temperature antiferromagnetic semiconductor |
Type |
A1 Journal article |
Year |
2019 |
Publication |
Journal of materials chemistry C : materials for optical and electronic devices |
Abbreviated Journal |
J Mater Chem C |
Volume |
7 |
Issue ![sorted by Issue field, ascending order (up)](img/sort_asc.gif) |
3 |
Pages |
509-522 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
A transition-metal-only MnFe0.5Ru0.5O3 polycrystalline oxide was prepared by a reaction of starting materials MnO, MnO2, Fe2O3, RuO2 at 6 GPa and 1873 K for 30 minutes. A combination of X-ray and neutron powder diffraction refinements indicated that MnFe0.5Ru0.5O3 adopts the corundum (alpha-Fe2O3) structure type with space group R (3) over barc, in which all metal ions are disordered. The centrosymmetric nature of the MnFe0.5Ru0.5O3 structure is corroborated by transmission electron microscopy, lack of optical second harmonic generation, X-ray absorption near edge spectroscopy, and Mossbauer spectroscopy. X-ray absorption near edge spectroscopy of MnFe0.5Ru0.5O3 showed the oxidation states of Mn, Fe, and Ru to be 2+/3+, 3+, and similar to 4+, respectively. Resistivity measurements revealed that MnFe0.5Ru0.5O3 is a semiconductor. Magnetic measurements and magnetic structure refinements indicated that MnFe0.5Ru0.5O3 orders antiferromagnetically around 400 K, with magnetic moments slightly canted away from the c axis. Fe-57 Mossbauer confirmed the magnetic ordering and Fe3+ (S = 5/2) magnetic hyperfine splitting. First principles calculations are provided to understand the electronic structure more thoroughly. A comparison of synthesis and properties of MnFe0.5Ru0.5O3 and related corundum Mn2BB'O-6 derivatives is discussed. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
|
Editor |
|
Language |
|
Wos |
000458780300004 |
Publication Date |
2018-11-27 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
2050-7526; 2050-7534 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
5.256 |
Times cited |
1 |
Open Access |
Not_Open_Access |
Notes |
; M. G. thanks the NSF-DMR-1507252 grant of the United States. X. T. was supported by the “Center for Computational Design of Functional Strongly Correlated Materials and Theoretical Spectroscopy'' under DOE Grant No. DE-FOA-0001276. G. K. and C. J. K. were supported by the Air Force Office of Scientific Research. MRCAT operations are supported by the Department of Energy and the MRCAT member institutions. EEM is grateful to the Leverhulme Trust (RPG-2017-362). M. R. Li and M. X. Wu are supported by the ”One Thousand Youth Talents'' Program of China. Use of the Advanced Photon Source at Argonne National Laboratory was supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under Contract No. DE-AC02-06CH11357. Part of this research used the ISS, 8-ID and TES, 8-BM beamlines at the National Synchrotron Light Source II (NSLS-II), a U.S. Department of Energy (DOE) Office of Science User Facility operated for the DOE Office of Science by Brookhaven National Laboratory under Contract No. DE-SC0012704. Without the valuable aid/support of the NSLS-II staff scientists Eli Stavitski, Klaus Attenkofer, and Paul Northrup this phase of the work could not have been performed. The work at IOPCAS was supported by NSF & MOST of China through research projects. H. R. and V. G. acknowledge NSF-MRSEC Center for Nanoscale Science at Penn State through the grant number DMR-1420620. The authors would like to thank Ms Jean Hanley at Lamont-Doherty Earth Observatory in Columbia University for making the high-pressure assemblies. The authors acknowledge the science and technology facility council (STFC) UK for the provision of neutron beam time. The authors would like to thank Daniel Nye for help on the Rigaku SmartLab X-ray diffractometer instrument in the Materials Characterization Laboratory at the ISIS Neutron and Muon Source. ; |
Approved |
Most recent IF: 5.256 |
Call Number |
UA @ admin @ c:irua:157564 |
Serial |
5264 |
Permanent link to this record |
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|
|
Author |
Dabral, A.; Lu, A.K.A.; Chiappe, D.; Houssa, M.; Pourtois, G. |
Title |
A systematic study of various 2D materials in the light of defect formation and oxidation |
Type |
A1 Journal article |
Year |
2019 |
Publication |
Physical chemistry, chemical physics |
Abbreviated Journal |
Phys Chem Chem Phys |
Volume |
21 |
Issue ![sorted by Issue field, ascending order (up)](img/sort_asc.gif) |
3 |
Pages |
1089-1099 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
The thermodynamic aspects of various 2D materials are explored using Density Functional Theory (DFT). Various metal chalcogenides (MX2, M = metal, chalcogen X = S, Se, Te) are investigated with respect to their interaction and stability under different ambient conditions met in the integration process of a transistor device. Their interaction with high- dielectrics is also addressed, in order to assess their possible integration in Complementary Metal Oxide Semiconductor (CMOS) field effect transistors. 2D materials show promise for high performance nanoelectronic devices, but the presence of defects (vacancies, grain boundaries,...) can significantly impact their electronic properties. To assess the impact of defects, their enthalpies of formation and their signature levels in the density of states have been studied. We find, consistently with literature reports, that chalcogen vacancies are the most likely source of defects. It is shown that while pristine 2D materials are in general stable whenever set in contact with different ambient atmospheres, the presence of defective sites affects the electronic properties of the 2D materials to varying degrees. We observe that all the 2D materials studied in the present work show strong reactivity towards radical oxygen plasma treatments while reactivity towards other common gas phase chemical such as O-2 and H2O and groups present at the high- surface varies significantly between species. While energy band-gaps, effective masses and contact resistivities are key criteria in selection of 2D materials for scaled CMOS and tunneling based devices, the phase and ambient stabilities might also play a very important role in the development of reliable nanoelectronic applications. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
|
Editor |
|
Language |
|
Wos |
000456147000009 |
Publication Date |
2018-12-19 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1463-9076; 1463-9084 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
4.123 |
Times cited |
1 |
Open Access |
Not_Open_Access |
Notes |
|
Approved |
Most recent IF: 4.123 |
Call Number |
UA @ admin @ c:irua:156715 |
Serial |
5267 |
Permanent link to this record |
|
|
|
Author |
Sankaran, K.J.; Deshmukh, S.; Korneychuk, S.; Yeh, C.-J.; Thomas, J.P.; Drijkoningen, S.; Pobedinskas, P.; Van Bael, M.K.; Verbeeck, J.; Leou, K.-C.; Leung, K.-T.; Roy, S.S.; Lin, I.-N.; Haenen, K. |
Title |
Fabrication, microstructure, and enhanced thermionic electron emission properties of vertically aligned nitrogen-doped nanocrystalline diamond nanorods |
Type |
A1 Journal article |
Year |
2018 |
Publication |
MRS communications |
Abbreviated Journal |
Mrs Commun |
Volume |
8 |
Issue ![sorted by Issue field, ascending order (up)](img/sort_asc.gif) |
3 |
Pages |
1311-1320 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
Vertically aligned nitrogen-doped nanocrystalline diamond nanorods are fabricated from nitrogen-doped nanocrystalline diamond films using reactive ion etching in oxygen plasma. These nanorods show enhanced thermionic electron emission (TEE) characteristics, viz.. a high current density of 12.0 mA/cm(2) and a work function value of 4.5 eV with an applied voltage of 3 Vat 923 K. The enhanced TEE characteristics of these nanorods are ascribed to the induction of nanographitic phases at the grain boundaries and the field penetration effect through the local field enhancement from nanorods owing to a high aspect ratio and an excellent field enhancement factor. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
|
Editor |
|
Language |
|
Wos |
000448887900089 |
Publication Date |
2018-08-22 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
2159-6859; 2159-6867 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.01 |
Times cited |
1 |
Open Access |
|
Notes |
The authors thank the financial support of the Research Foundation Flanders (FWO) via Research Grant 12I8416N and Research Project 1519817N, and the Methusalem “NANO” network. The Hercules Foundation Flanders is acknowledged for financial support of the Raman equipment. The Qu-Ant-EM microscope used for the TEM experiments was partly funded by the Hercules fund from the Flemish Government. S.K. and J.V. acknowledge funding from GOA project “Solarpaint” of the University of Antwerp. K.J. Sankaran and P. Pobedinskas are Postdoctoral Fellows of FWO. |
Approved |
Most recent IF: 3.01 |
Call Number |
UA @ admin @ c:irua:155521 |
Serial |
5364 |
Permanent link to this record |
|
|
|
Author |
Creemers, S.; Van Passel, S.; Vigani, M.; Vlahos, G. |
Title |
Relationship between farmers' perception of sustainability and future farming strategies : a commodity-level comparison |
Type |
A1 Journal article |
Year |
2019 |
Publication |
AIMS Agriculture and Food |
Abbreviated Journal |
|
Volume |
4 |
Issue ![sorted by Issue field, ascending order (up)](img/sort_asc.gif) |
3 |
Pages |
613-642 |
Keywords |
A1 Journal article; Engineering Management (ENM) |
Abstract |
The environmental challenges have become increasingly integrated into the European Union's Common Agricultural Policy (CAP). The Europe 2020 CAP Framework defines new rules for farmers and targets on innovation, resource efficiency, economic viability, and environmental sustainability. Given the continual evolution of the CAP, it is relevant to focus on sustainable agriculture and which indicators can be employed to aid our understanding of the future farming strategies. This study examines the relationship between perceived sustainability and future farming strategies for three different commodities: sugar beet, dairy, and feta cheese. Survey data collected between 2017-2018 from 191 Belgian sugar beet farmers, 524 dairy farmers (from UK, Denmark, France, and Latvia), and 150 Greek sheep and goat farmers producing milk for feta cheese were analysed using multinomial logistic regressions. Our results show that the farmers' attitude towards sustainability affects intentions to implement specific farming strategies. Belgian sugar beet farmers who perceive their supply chain arrangements (SCAs) environmentally sustainable are less likely to reduce the scale of their farms' operations rather than to maintain them. Dairy farmers are more likely to change the existing scale than to maintain scale if they perceive that production choices affect environmental sustainability to a higher extent. Dairy farmers who perceive their SCAs economically sustainable are less likely to abandon farming. Greek sheep and goat farmers who perceive their SCAs economically sustainable are more likely to expand the existing scale. The observed differences at commodity-level show the importance of well targeted policy measures towards more sustainable farming systems in the European Union. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
|
Editor |
|
Language |
|
Wos |
000488251600009 |
Publication Date |
2019-08-08 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
2471-2086 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
Impact Factor |
|
Times cited |
1 |
Open Access |
|
Notes |
; This research was performed within the frame of the EU's HORIZON 2020 project SUFISA with the grant agreement number 635577. The authors want to thank colleagues from the SUFISA project for stimulating and inspiring discussions on this topic. In particular we would like to thank all the participants of the 2019 SUFISA final conference at the Jagiellonian University of Krakow for fruitful discussions. ; |
Approved |
Most recent IF: NA |
Call Number |
UA @ admin @ c:irua:163832 |
Serial |
6242 |
Permanent link to this record |
|
|
|
Author |
Faraji, F.; Neek-Amal, M.; Neyts, E.C.; Peeters, F.M. |
Title |
Cation-controlled permeation of charged polymers through nanocapillaries |
Type |
A1 Journal article |
Year |
2023 |
Publication |
Physical review E |
Abbreviated Journal |
Phys Rev E |
Volume |
107 |
Issue ![sorted by Issue field, ascending order (up)](img/sort_asc.gif) |
3 |
Pages |
034501-34510 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
Molecular dynamics simulations are used to study the effects of different cations on the permeation of charged polymers through flat capillaries with heights below 2 nm. Interestingly, we found that, despite being monovalent, Li+ , Na+ , and K+ cations have different effects on polymer permeation, which consequently affects their transmission speed throughout those capillaries. We attribute this phenomenon to the interplay of the cations' hydration free energies and the hydrodynamic drag in front of the polymer when it enters the capillary. Different alkali cations exhibit different surface versus bulk preferences in small clusters of water under the influence of an external electric field. This paper presents a tool to control the speed of charged polymers in confined spaces using cations. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
|
Editor |
|
Language |
|
Wos |
000955986000006 |
Publication Date |
2023-03-17 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
2470-0053 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.4 |
Times cited |
1 |
Open Access |
Not_Open_Access |
Notes |
|
Approved |
Most recent IF: 2.4; 2023 IF: 2.366 |
Call Number |
UA @ admin @ c:irua:196089 |
Serial |
7586 |
Permanent link to this record |
|
|
|
Author |
Dantas, D.S.; Chaves, A.; Farias, G.A.; Ramos, A.C.A.; Peeters, F.M. |
Title |
Low-dimensional confining structures on the surface of helium films suspended on designed cavities |
Type |
A1 Journal article |
Year |
2013 |
Publication |
Journal of low temperature physics |
Abbreviated Journal |
J Low Temp Phys |
Volume |
173 |
Issue ![sorted by Issue field, ascending order (up)](img/sort_asc.gif) |
3-4 |
Pages |
207-226 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
We investigate the formation of quantum confined structures on the surface of a liquid helium film suspended on a nanostructured substrate. We show theoretically that, by nanostructuring the substrate, it is possible to change the geometry of the liquid helium surface, opening the possibility of designing and controlling the formation of valleys with different shapes. By applying an external electric field perpendicular to the substrate plane, surface electrons can be trapped into these valleys, as in a quantum dot. We investigate how the external parameters, such as the electric field strength and the height of the liquid helium bath, can be tuned to control the energy spectrum of the trapped surface electrons. |
Address |
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Corporate Author |
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Thesis |
|
Publisher |
|
Place of Publication |
New York |
Editor |
|
Language |
|
Wos |
000324820300008 |
Publication Date |
2013-08-22 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0022-2291;1573-7357; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
1.3 |
Times cited |
1 |
Open Access |
|
Notes |
; This work has received financial support from the Brazilian National Research Council (CNPq), Fundacao Cearense de Apoio ao Desenvolvimento Cientifico e Tecnologico (Funcap), CAPES and Pronex/CNPq/Funcap. This work was partially supported by the Flemish Science Foundation (FWO-Vl) and the bilateral project between CNPq and FWO-Vl. ; |
Approved |
Most recent IF: 1.3; 2013 IF: 1.036 |
Call Number |
UA @ lucian @ c:irua:111140 |
Serial |
1845 |
Permanent link to this record |
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|
|
Author |
Van 't dack, L.; Gijbels, R.; Walker, C.T. |
Title |
Modern developments and applications in microbeam analysis: proceedings of the 10th Workshop of the European Microbeam Analysis Society (EMAS), Antwerp, Belgium, May 6-10, 2007 |
Type |
Editorial |
Year |
2008 |
Publication |
Microchimica acta |
Abbreviated Journal |
Microchim Acta |
Volume |
161 |
Issue ![sorted by Issue field, ascending order (up)](img/sort_asc.gif) |
3/4 |
Pages |
285-286 |
Keywords |
Editorial; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
|
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
|
Editor |
|
Language |
|
Wos |
000256175600001 |
Publication Date |
2008-05-23 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0026-3672;1436-5073; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
4.58 |
Times cited |
1 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 4.58; 2008 IF: 1.910 |
Call Number |
UA @ lucian @ c:irua:69291 |
Serial |
2157 |
Permanent link to this record |
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|
|
Author |
Wang, Y.; Sztranyovszky, Z.; Zilli, A.; Albrecht, W.; Bals, S.; Borri, P.; Langbein, W. |
Title |
Quantitatively linking morphology and optical response of individual silver nanohedra |
Type |
A1 Journal article |
Year |
2022 |
Publication |
Nanoscale |
Abbreviated Journal |
Nanoscale |
Volume |
14 |
Issue ![sorted by Issue field, ascending order (up)](img/sort_asc.gif) |
30 |
Pages |
11028-11037 |
Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
Abstract |
The optical response of metal nanoparticles is governed by plasmonic resonances, which are dictated by the particle morphology. A thorough understanding of the link between morphology and optical response requires quantitatively measuring optical and structural properties of the same particle. Here we present such a study, correlating electron tomography and optical micro-spectroscopy. The optical measurements determine the scattering and absorption cross-section spectra in absolute units, and electron tomography determines the 3D morphology. Numerical simulations of the spectra for the individual particle geometry, and the specific optical set-up used, allow for a quantitative comparison including the cross-section magnitude. Silver nanoparticles produced by photochemically driven colloidal synthesis, including decahedra, tetrahedra and bi-tetrahedra are investigated. A mismatch of measured and simulated spectra is found in some cases when assuming pure silver particles, which is explained by the presence of a few atomic layers of tarnish on the surface, not evident in electron tomography. The presented method tightens the link between particle morphology and optical response, supporting the predictive design of plasmonic nanomaterials. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
|
Editor |
|
Language |
|
Wos |
000828704000001 |
Publication Date |
2022-07-15 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
2040-3364; 2040-3372 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
6.7 |
Times cited |
1 |
Open Access |
OpenAccess |
Notes |
Z.S. acknowledges the UK Engineering and Physical Sciences Research Council (EPSRC) for his Ph.D. studentship award (grant EP/R513003/1). Y.W. acknowledges Iwan Moreels (University of Ghent) for training in nanoparticle synthesis. Y.W. acknowledges the Biotechnology and Biological Sciences Research Council (BBSRC) for his Ph.D. studentship award (grant BB/L015889/1). This work was supported by the UK EPSRC (grants EP/I005072/1 and EP/M028313/1), and by the European Commission (EUSMI E191000350). W.A. acknowledges an Individual Fellowship from the Marie Skodowska-Curie actions (MSCA) under the EU's Horizon 2020 program (Grant 797153, SOPMEN). We thank Lukas Payne and Iestyn Pope for contributions to the development of the hardware and software used for the optical measurements. |
Approved |
Most recent IF: 6.7 |
Call Number |
UA @ admin @ c:irua:189578 |
Serial |
7092 |
Permanent link to this record |
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|
|
Author |
Bottari, F.; Moro, G.; Sleegers, N.; Florea, A.; Cowen, T.; Piletsky, S.; van Nuijs, A.L.N.; De Wael, K. |
Title |
Electropolymerized o-phenylenediamine on graphite promoting the electrochemical detection of nafcillin |
Type |
A1 Journal article |
Year |
2019 |
Publication |
Electroanalysis |
Abbreviated Journal |
Electroanal |
Volume |
32 |
Issue ![sorted by Issue field, ascending order (up)](img/sort_asc.gif) |
32 |
Pages |
135-141 |
Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Toxicological Centre |
Abstract |
By combining molecular modelling and electrochemistry we envision the creation of modified electrodes tailored for a more sensitive and selective detection of a single analyte. In this study we report on a graphite screen printed electrode modified with electropolymerized o-phenylenediamine, selected by rational design, which promotes the detection of nafcillin (NAF), an antibiotic. Parameters such as monomer concentration, pH and number of electropolymerization cycles were optimized to obtain the highest current signal for the target upon amperometric detection. NAF identification was based on the redox process at +1.1 V (vs pseudo Ag), ascribed to the oxidation of the C-7 side chain. With the optimized modification protocol, a two-fold increase in nafcillin signal could be obtained: the calibration plot in 0.1 M Britton-Robinson buffer pH 4 showed a limit of detection of 80 nM with improved sensitivity and reproducibility (RSD<5 %) compared to the detection at non-modified electrodes. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
|
Place of Publication |
|
Editor |
|
Language |
|
Wos |
000482596300001 |
Publication Date |
2019-08-26 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1040-0397 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.851 |
Times cited |
1 |
Open Access |
|
Notes |
; FB and GM devised the study and performed the experiments, FB wrote the original draft of the paper and analysed the data, NS and AvN performed the MS experiments, AF helped with the optimization of the protocol and correction of the first draft, TC and SP performed the rational monomer design, KdW supervised the work and corrected the final draft. All authors gave their suggestions and corrections to the final version of the paper. This work was financially supported by the University of Antwerp (BOF) and the Research Foundation Flanders (FWO). ; |
Approved |
Most recent IF: 2.851 |
Call Number |
UA @ admin @ c:irua:162870 |
Serial |
5601 |
Permanent link to this record |
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|
|
Author |
Sabzalipour, A.; Mir, M.; Zarenia, M.; Partoens, B. |
Title |
Charge transport in magnetic topological ultra-thin films : the effect of structural inversion asymmetry |
Type |
A1 Journal article |
Year |
2021 |
Publication |
Journal Of Physics-Condensed Matter |
Abbreviated Journal |
J Phys-Condens Mat |
Volume |
33 |
Issue ![sorted by Issue field, ascending order (up)](img/sort_asc.gif) |
32 |
Pages |
325702 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
We study the effect of structural inversion asymmetry, induced by the presence of substrates or by external electric fields, on charge transport in magnetic topological ultra-thin films. We consider general orientations of the magnetic impurities. Our results are based on the Boltzmann formalism along with a modified relaxation time scheme. We show that the structural inversion asymmetry enhances the charge transport anisotropy induced by the magnetic impurities and when only one conduction subband contributes to the charge transport a dissipationless charge current is accessible. We demonstrate how a substrate or gate voltage can control the effect of the magnetic impurities on the charge transport, and how this depends on the orientation of the magnetic impurities. |
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 |
000666698000001 |
Publication Date |
2021-05-28 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0953-8984 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.649 |
Times cited |
1 |
Open Access |
Not_Open_Access |
Notes |
|
Approved |
Most recent IF: 2.649 |
Call Number |
UA @ admin @ c:irua:179647 |
Serial |
6974 |
Permanent link to this record |
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Author |
Yao, X.; Li, Y.; Cao, S.; Ma, X.; Zhang, X.-ping; Schryvers, D. |
Title |
Optimization of Automated Crystal Orientation and Phase Mapping in TEM Applied to Ni-Ti All Round Shape Memory Alloy |
Type |
P1 Proceeding |
Year |
2015 |
Publication |
MATEC web of conferences
T2 – Proceedings of ESOMAT 2015 10th European Symposium on Martensitic Transformations, September 14-18, 2015, Antwerp, Belgium |
Abbreviated Journal |
|
Volume |
33 |
Issue ![sorted by Issue field, ascending order (up)](img/sort_asc.gif) |
33 |
Pages |
03022 |
Keywords |
P1 Proceeding; Electron microscopy for materials research (EMAT) |
Abstract |
A new application which focuses on an artificial sphincter fabricated by Ni-Ti SMAs for human implantation is under investigation by applying the all-round shape memory effect with precise control of the phase transformation temperatures. In this study, a Ni51at.%-Ti alloy was fabricated by arc melting with fast solidification, followed by a proper strained aging which induces the two way shape memory effect needed for this particular application. Differential scanning calorimetry was used to investigate the thermal behavior and transmission electron microscopy was used for studying the microstructure of the alloys. With the latter the novel technique of automated crystal orientation microscopy is used and optimized to obtain phase and orientation mapping of the various structures. |
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 |
000372402800037 |
Publication Date |
2015-12-15 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
2261-236X |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
|
Times cited |
1 |
Open Access |
|
Notes |
The author gratefully acknowledges the Chinese Scholarship Council (CSC) for providing a scholarship. |
Approved |
Most recent IF: NA |
Call Number |
c:irua:129977 |
Serial |
3988 |
Permanent link to this record |
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|
Author |
Pandey, T.; Peeters, F.M.; Milošević, M.V. |
Title |
High thermoelectric figure of merit in p-type Mg₃Si₂Te₆: role of multi-valley bands and high anharmonicity |
Type |
A1 Journal article |
Year |
2023 |
Publication |
Journal of materials chemistry C : materials for optical and electronic devices |
Abbreviated Journal |
|
Volume |
11 |
Issue ![sorted by Issue field, ascending order (up)](img/sort_asc.gif) |
33 |
Pages |
11185-11194 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
Silicon-based materials are attractive for thermoelectric applications due to their thermal stability, chemical inertness, and natural abundance of silicon. Here, using a combination of first-principles and Boltzmann transport calculations we report the thermoelectric properties of the recently synthesized compound Mg3Si2Te6. Our analysis reveals that Mg3Si2Te6 is a direct bandgap semiconductor with a bandgap of 1.6 eV. The combination of heavy and light valence bands, along with a high valley degeneracy, results in a large power factor under p-type doping. We also find that Mg is weakly bonded both within and between the layers, leading to low phonon group velocities. The vibrations of the Mg atoms are localized and make a significant contribution to phonon-phonon scattering. This high anharmonicity, coupled with low phonon group velocity, results in a low lattice thermal conductivity of & kappa;(l) = 0.5 W m(-1) K-1 at room temperature, along the cross-plane direction. Combining excellent electronic transport properties and low & kappa;(l), p-type Mg3Si2Te6 achieves figure-of-merit (zT) values greater than 1 at temperatures above 600 K. Specifically, a zT of 2.0 is found at 900 K along the cross-plane direction. Our findings highlight the importance of structural complexity and chemical bonding in electronic and phonon transport, providing guiding insights for further design of Si-based thermoelectrics. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
|
Editor |
|
Language |
|
Wos |
001041124900001 |
Publication Date |
2023-07-26 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
2050-7526; 2050-7534 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
Impact Factor |
6.4 |
Times cited |
1 |
Open Access |
Not_Open_Access |
Notes |
|
Approved |
Most recent IF: 6.4; 2023 IF: 5.256 |
Call Number |
UA @ admin @ c:irua:198296 |
Serial |
8821 |
Permanent link to this record |
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|
|
Author |
Van der Paal, J.; Hong, S.-H.; Yusupov, M.; Gaur, N.; Oh, J.-S.; Short, R.D.; Szili, E.J.; Bogaerts, A. |
Title |
How membrane lipids influence plasma delivery of reactive oxygen species into cells and subsequent DNA damage : an experimental and computational study |
Type |
A1 Journal article |
Year |
2019 |
Publication |
Physical chemistry, chemical physics |
Abbreviated Journal |
Phys Chem Chem Phys |
Volume |
21 |
Issue ![sorted by Issue field, ascending order (up)](img/sort_asc.gif) |
35 |
Pages |
19327-19341 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
The mechanisms of plasma in medicine are broadly attributed to plasma-derived reactive oxygen and nitrogen species (RONS). In order to exert any intracellular effects, these plasma-derived RONS must first traverse a major barrier in the cell membrane. The cell membrane lipid composition, and thereby the magnitude of this barrier, is highly variable between cells depending on type and state (e.g. it is widely accepted that healthy and cancerous cells have different membrane lipid compositions). In this study, we investigate how plasma-derived RONS interactions with lipid membrane components can potentially be exploited in the future for treatment of diseases. We couple phospholipid vesicle experiments, used as simple cell models, with molecular dynamics (MD) simulations of the lipid membrane to provide new insights into how the interplay between phospholipids and cholesterol may influence the response of healthy and diseased cell membranes to plasma-derived RONS. We focus on the (i) lipid tail saturation degree, (ii) lipid head group type, and (iii) membrane cholesterol fraction. Using encapsulated molecular probes, we study the influence of the above membrane components on the ingress of RONS into the vesicles, and subsequent DNA damage. Our results indicate that all of the above membrane components can enhance or suppress RONS uptake, depending on their relative concentration within the membrane. Further, we show that higher RONS uptake into the vesicles does not always correlate with increased DNA damage, which is attributed to ROS reactivity and lifetime. The MD simulations indicate the multifactorial chemical and physical processes at play, including (i) lipid oxidation, (ii) lipid packing, and (iii) lipid rafts formation. The methods and findings presented here provide a platform of knowledge that could be leveraged in the development of therapies relying on the action of plasma, in which the cell membrane and oxidative stress response in cells is targeted. |
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Wos |
000486175400045 |
Publication Date |
2019-08-21 |
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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 |
1463-9076; 1463-9084 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
4.123 |
Times cited |
1 |
Open Access |
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Notes |
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Approved |
Most recent IF: 4.123 |
Call Number |
UA @ admin @ c:irua:162782 |
Serial |
6303 |
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Author |
Van Hal, M.; Verbruggen, S.W.; Yang, X.-Y.; Lenaerts, S.; Tytgat, T. |
Title |
Image analysis and in situ FTIR as complementary detection tools for photocatalytic soot oxidation |
Type |
A1 Journal article |
Year |
2019 |
Publication |
Chemical engineering journal |
Abbreviated Journal |
Chem Eng J |
Volume |
367 |
Issue ![sorted by Issue field, ascending order (up)](img/sort_asc.gif) |
367 |
Pages |
269-277 |
Keywords |
A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
Abstract |
Air pollution, especially particulate matter (PM), is an increasingly urgent problem in urban environments, causing both short and long-term health problems, climate interference and aesthetical problems due to building fouling. Photocatalysis has been shown to be a possible solution to that end. In this work two complementary detection methods for photocatalytic soot oxidation are studied and their advantages and disadvantages are discussed. First, a colour-based digital image analysis method is drastically improved towards an accurate, detailed and straightforward detection tool, that enables simultaneous measurement of the degradation of different grades of soot fouling (for instance a shallow soot haze versus condensed soot deposits). In the next part, a second soot oxidation detection method is presented based on in situ FTIR spectroscopy. This method has the additional advantage of providing more insight into the photocatalytic soot degradation process by monitoring both gaseous and adsorbed intermediates as well as reaction products while the reactions are ongoing. As an illustration, the proposed detection strategies were applied on four different commercially available and synthesized photocatalytic materials. The digital image analysis showed that P25 (Evonik) is the fastest photocatalytic soot degrader of all studied materials for both a uniform soot haze as well as concentrated soot spots. Application of the in situ method showed that for all studied materials adsorbed formate-related surface species were formed and that commercially available ZnO nanopowder has the highest specificity towards complete mineralization into CO2. With this we aim to provide a set of complementary experimental tools for the convenient, reliable, realistic and standardised detection of photocatalytic soot degradation. |
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Wos |
000461380400028 |
Publication Date |
2019-02-23 |
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Abbreviated Series Title |
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Series Issue |
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Edition |
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ISSN |
1385-8947; 1873-3212 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
6.216 |
Times cited |
1 |
Open Access |
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Notes |
; M.V.H. acknowledges the Research Foundation-Flanders (FWO) for a doctoral fellowship. M.V.H., S.W.V., S.L. and X-Y.Y. thank the FWO and the National Natural Science Foundation of China (NSFC) for funding an international collaboration project. Mr. M. Minjauw is greatly thanked for his help in the AFM measurements. ; |
Approved |
Most recent IF: 6.216 |
Call Number |
UA @ admin @ c:irua:157789 |
Serial |
5958 |
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Author |
Nerl, H.C.; Pokle, A.; Jones, L.; Müller‐Caspary, K.; Bos, K.H.W.; Downing, C.; McCarthy, E.K.; Gauquelin, N.; Ramasse, Q.M.; Lobato, I.; Daly, D.; Idrobo, J.C.; Van Aert, S.; Van Tendeloo, G.; Sanvito, S.; Coleman, J.N.; Cucinotta, C.S.; Nicolosi, V. |
Title |
Self‐Assembly of Atomically Thin Chiral Copper Heterostructures Templated by Black Phosphorus |
Type |
A1 Journal article |
Year |
2019 |
Publication |
Advanced functional materials |
Abbreviated Journal |
Adv Funct Mater |
Volume |
29 |
Issue ![sorted by Issue field, ascending order (up)](img/sort_asc.gif) |
37 |
Pages |
1903120 |
Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
Abstract |
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Wos |
000478478400001 |
Publication Date |
2019-07-17 |
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 |
1616-301X |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
12.124 |
Times cited |
1 |
Open Access |
OpenAccess |
Notes |
European Research Council, 2DNanoCaps TC2D CoG 3D2DPrint CoG Picometrics grant agreement No. 770887; Engineering and Physical Sciences Research Council, EP/P033555/1 EP/R029431 ; Science Foundation Ireland, HPC1600932 ; |
Approved |
Most recent IF: 12.124 |
Call Number |
EMAT @ emat @c:irua:161901 |
Serial |
5362 |
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Author |
Sharp, J.; Mueller, I.C.; Mandal, P.; Abbas, A.; Nord, M.; Doye, A.; Ehiasarian, A.; Hovsepian, P.; MacLaren, I.; Rainforth, W.M. |
Title |
Characterisation of a high-power impulse magnetron sputtered C/Mo/W wear resistant coating by transmission electron microscopy |
Type |
A1 Journal article |
Year |
2019 |
Publication |
Surface and coatings technology |
Abbreviated Journal |
Surf Coat Tech |
Volume |
377 |
Issue ![sorted by Issue field, ascending order (up)](img/sort_asc.gif) |
377 |
Pages |
124853 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
Thin films of C/Mo/W deposited using combined UBM/HIPIMS sputtering show 2-8 nm clusters of material richer in Mo and W than the matrix (found by EDS microanalysis), with structures that resemble graphitic onions with the metal atoms arranged regularly within them. EELS microanalysis showed the clusters to be rich in W and Mo. As the time averaged power used in the pulsed HIPIMS magnetron was increased, the clusters became more defined, larger, and arranged into layers with amorphous matrix between them. Films deposited with average HIPIMS powers of 4 kW and 6 kW also showed a periodic modulation of the cluster density within the finer layers giving secondary, wider stripes in TEM. By analysing the ratio between the finer and coarser layers, it was found that this meta-layering is related to the substrate rotation in the deposition chamber but in a non-straightforward way. Reasons for this are proposed. The detailed structure of the clusters remains unknown and is the subject of further work. Fluctuation electron microscopy results indicated the presence of crystal planes with the graphite interlayer spacing, crystal planes in hexagonal WC perpendicular to the basal plane, and some plane spacings found in Mo2C. Other peaks in the FEM results suggested symmetry-related starting points for future determination of the structure of the clusters. |
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Wos |
000488417800015 |
Publication Date |
2019-08-03 |
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 |
0257-8972 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.589 |
Times cited |
1 |
Open Access |
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Notes |
; J.S. thanks the Mercury Centre at the University of Sheffield for funding, which was part funded by the ERDF under grant MERCURY 904467. I.C.M. acknowledges support from CONACyT and RobertoRocca Education Fellowship. We gratefully acknowledge funding from EPSRC for the pixelated STEM detector and the software used in its operation for the fluctuation microscopy (EP/M009963/ 1, EP/K503903/1 & EP/R511705/1). AD was supported by the EPSRC CDT in Integrative Sensing and Measurement, Grant Number EP/L016753/1. Funding sources did not influence the planning or execution of this work except to enable it. ; |
Approved |
Most recent IF: 2.589 |
Call Number |
UA @ admin @ c:irua:163700 |
Serial |
5383 |
Permanent link to this record |
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Author |
Shanenko, A.A.; Croitoru, M.D.; Mints, R.G.; Peeters, F.M. |
Title |
Andreev-type states induced by quantum confinement |
Type |
A1 Journal article |
Year |
2008 |
Publication |
Journal of Surface Investigation. X-ray, Synchrotron and Neutron Techniques |
Abbreviated Journal |
J Surf Investig-X-Ra |
Volume |
2 |
Issue ![sorted by Issue field, ascending order (up)](img/sort_asc.gif) |
4 |
Pages |
611-615 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT); Electron microscopy for materials research (EMAT) |
Abstract |
The properties of a clean superconductor with nanoscale dimensions are governed by quantum confinement of the electrons. This results in a spatially inhomogeneous superconducting condensate and in the formation of new Andreev-type quasiparticle states. These states are mainly located beyond regions where the superconducting condensate is enhanced. A numerical self-consistent solution of the Bogoliubov-de Gennes equations for a cylindrical metallic nanowire shows that these new Andreev-type states decrease the ratio of the energy gap to the critical temperature. |
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Wos |
000262864600021 |
Publication Date |
2008-08-09 |
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Series Issue |
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Edition |
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ISSN |
1027-4510;1819-7094; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
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Times cited |
1 |
Open Access |
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Notes |
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Approved |
Most recent IF: NA |
Call Number |
UA @ lucian @ c:irua:75991 |
Serial |
113 |
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Author |
Zelaya, E.; Schryvers, D.; Tolley, A.; Fitchner, P.F.P. |
Title |
Cavity nucleation and growth in Cu-Zn-Al irradiated with Cu+ ions at different temperatures |
Type |
A1 Journal article |
Year |
2010 |
Publication |
Intermetallics |
Abbreviated Journal |
Intermetallics |
Volume |
18 |
Issue ![sorted by Issue field, ascending order (up)](img/sort_asc.gif) |
4 |
Pages |
493-498 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
The effects of high dose ion irradiation in β CuZnAl were investigated between room temperature and 150 °C. Single crystal samples with surface normal close to [001]β were irradiated with 300 keV Cu+ ions. Microstructural changes were characterized using transmission electron microscopy. Irradiation induced cavities located on the surface exposed to the irradiation were observed. The morphology, size and density distribution of these cavities were analyzed as a function of different irradiation conditions. The shape and location of the cavities with respect to the irradiation surface were not affected by irradiation temperature or irradiation dose. Instead, the cavity size distribution showed a bi-modal shape for a dose of 15 dpa, regardless of irradiation temperature. For a dose of 30 dpa the bi-modal distribution was only observed after room temperature irradiation. The diffusion effects of vacancies produced by irradiation are analyzed in shape memory CuZnAl alloys, which main characteristic is the diffusionless martensitic transformation. Particularly, the cavity size distributions were analyzed in terms of nucleation, growth and coalescence. |
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Place of Publication |
Chicago, Ill. |
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Wos |
000276058200014 |
Publication Date |
2009-10-17 |
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Series Issue |
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Edition |
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ISSN |
0966-9795; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.14 |
Times cited |
1 |
Open Access |
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Notes |
Iaea |
Approved |
Most recent IF: 3.14; 2010 IF: 2.335 |
Call Number |
UA @ lucian @ c:irua:80924 |
Serial |
302 |
Permanent link to this record |
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Author |
Khalil-Allafi, J.; Amin-Ahmadi, B. |
Title |
Effect of mold hardness on microstructure and contraction porosity in ductile cast iron |
Type |
A1 Journal article |
Year |
2011 |
Publication |
Journal of iron and steel research international |
Abbreviated Journal |
J Iron Steel Res Int |
Volume |
18 |
Issue ![sorted by Issue field, ascending order (up)](img/sort_asc.gif) |
4 |
Pages |
44-47 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
The effect of mold hardness on the microstructure of ductile iron and the contraction porosity was investigated. Molds with different hardnesses (0.41, 0.48, 0.55, 0.62 MPa) and a sand mold prepared by Co2 method were used. The influence of silicon content on the induced expansion pressure owing to the formation of graphite was also investigated. The contraction during solidification can be compensated by an induced expansion owing to the graphite relief when the hardness of mold increases; therefore, the possibility of achieving a sound product without using any riser increases. |
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Place of Publication |
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Wos |
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Publication Date |
2011-05-01 |
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Edition |
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ISSN |
1006-706X; |
ISBN |
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Additional Links |
UA library record |
Impact Factor |
0.836 |
Times cited |
1 |
Open Access |
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Notes |
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Approved |
Most recent IF: 0.836; 2011 IF: 0.213 |
Call Number |
UA @ lucian @ c:irua:122044 |
Serial |
823 |
Permanent link to this record |