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Records |
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Author |
Bekaert, J.; Vercauteren, S.; Aperis, A.; Komendová, L.; Prozorov, R.; Partoens, B.; Milošević, M.V. |
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Title |
Anisotropic type-I superconductivity and anomalous superfluid density in OsB2 |
Type |
A1 Journal article |
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Year |
2016 |
Publication |
Physical review B |
Abbreviated Journal |
Phys Rev B |
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Volume |
94 |
Issue |
94 |
Pages |
144506 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
We present a microscopic study of superconductivity in OsB2 , and discuss the origin and characteristic length
scales of the superconducting state. From first-principles we show that OsB2 is characterized by three different
Fermi sheets, and we prove that this fermiology complies with recent quantum-oscillation experiments. Using the
found microscopic properties, and experimental data from the literature, we employ Ginzburg-Landau relations
to reveal that OsB2 is a distinctly type-I superconductor with a very low Ginzburg-Landau parameter κ—a rare
property among compound materials. We show that the found coherence length and penetration depth corroborate
the measured thermodynamic critical field. Moreover, our calculation of the superconducting gap structure using
anisotropic Eliashberg theory and ab initio calculated electron-phonon interaction as input reveals a single but
anisotropic gap. The calculated gap spectrum is shown to give an excellent account for the unconventional
behavior of the superfluid density of OsB2 measured in experiments as a function of temperature. This reveals
that gap anisotropy can explain such behavior, observed in several compounds, which was previously attributed
solely to a two-gap nature of superconductivity. |
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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 |
000385622500009 |
Publication Date |
2016-10-12 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
2469-9950 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.836 |
Times cited |
19 |
Open Access |
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Notes |
Fonds Wetenschappelijk Onderzoek; European Cooperation in Science and Technology, MP1201 ; Vetenskapsrådet; |
Approved |
Most recent IF: 3.836 |
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Call Number |
CMT @ cmt @ c:irua:139020 |
Serial |
4338 |
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Permanent link to this record |
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Author |
Heyne, M.H.; de Marneffe, J.-F.; Delabie, A.; Caymax, M.; Neyts, E.C.; Radu, I.; Huyghebaert, C.; De Gendt, S. |
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Title |
Two-dimensional WS2 nanoribbon deposition by conversion of pre-patterned amorphous silicon |
Type |
A1 Journal article |
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Year |
2017 |
Publication |
Nanotechnology |
Abbreviated Journal |
Nanotechnology |
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Volume |
28 |
Issue |
28 |
Pages |
04LT01 |
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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 present a method for area selective deposition of 2D WS2 nanoribbons with tunable thickness on a dielectric substrate. The process is based on a complete conversion of a prepatterned, H-terminated Si layer to metallic W by WF6, followed by in situ sulfidation by H2S. The reaction process, performed at 450 degrees C, yields nanoribbons with lateral dimension down to 20 nm and with random basal plane orientation. The thickness of the nanoribbons is accurately controlled by the thickness of the pre-deposited Si layer. Upon rapid thermal annealing at 900 degrees C under inert gas, the WS2 basal planes align parallel to the substrate. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Bristol |
Editor |
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Language |
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Wos |
000391445100001 |
Publication Date |
2016-12-15 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0957-4484 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.44 |
Times cited |
13 |
Open Access |
OpenAccess |
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Notes |
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Approved |
Most recent IF: 3.44 |
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Call Number |
UA @ lucian @ c:irua:140382 |
Serial |
4471 |
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Permanent link to this record |
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Author |
Galván Moya, J.E.; Peeters, F.M. |
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Title |
Ginzburg-Landau theory of the zigzag transition in quasi-one-dimensional classical Wigner crystals |
Type |
A1 Journal article |
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Year |
2011 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
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Volume |
84 |
Issue |
13 |
Pages |
134106,1-134106,10 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
We present a mean-field description of the zigzag phase transition of a quasi-one-dimensional system of strongly interacting particles, with interaction potential r−ne−r/λ, that are confined by a power-law potential (yα). The parameters of the resulting one-dimensional Ginzburg-Landau theory are determined analytically for different values of α and n. Close to the transition point for the zigzag phase transition, the scaling behavior of the order parameter is determined. For α=2, the zigzag transition from a single to a double chain is of second order, while for α>2, the one-chain configuration is always unstable and, for α<2, the one-chain ordered state becomes unstable at a certain critical density, resulting in jumps of single particles out of the chain. |
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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 |
000296289500004 |
Publication Date |
2011-10-18 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1098-0121;1550-235X; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.836 |
Times cited |
16 |
Open Access |
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Notes |
; This work was supported by the Flemish Science Foundation (FWO-Vl). ; |
Approved |
Most recent IF: 3.836; 2011 IF: 3.691 |
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Call Number |
UA @ lucian @ c:irua:93583 |
Serial |
1345 |
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Permanent link to this record |
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Author |
Sarmadian, N.; Saniz, R.; Partoens, B.; Lamoen, D.; Volety, K.; Huyberechts, G.; Paul, J. |
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Title |
High throughput first-principles calculations of bixbyite oxides for TCO applications |
Type |
A1 Journal article |
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Year |
2014 |
Publication |
Physical chemistry, chemical physics |
Abbreviated Journal |
Phys Chem Chem Phys |
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Volume |
16 |
Issue |
33 |
Pages |
17724-17733 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT) |
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Abstract |
We present a high-throughput computing scheme based on density functional theory (DFT) to generate a class of oxides and screen them with the aim of identifying those that might be electronically appropriate for transparent conducting oxide (TCO) applications. The screening criteria used are a minimum band gap to ensure sufficient transparency, a band edge alignment consistent with easy n- or p-type dopability, and a minimum thermodynamic phase stability to be experimentally synthesizable. Following this scheme we screened 23 binary and 1518 ternary bixbyite oxides in order to identify promising candidates, which can then be a subject of an in-depth study. The results for the known TCOs are in good agreement with the reported data in the literature. We suggest a list of several new potential TCOs, including both n- and p-type compounds. |
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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 |
000341064800041 |
Publication Date |
2014-07-07 |
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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 |
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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 |
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Impact Factor |
4.123 |
Times cited |
23 |
Open Access |
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Notes |
; We gratefully acknowledge financial support from the IWT-Vlaanderen through the ISIMADE project (IWT-n 080023), the FWO-Vlaanderen through project G.0150.13 and a GOA fund from the University of Antwerp. This work was carried out using the HPC infrastructure of the University of Antwerp (CalcUA) a division of the Flemish Supercomputer Center VSC, which is funded by the Hercules foundation and the Flemish Government (EWI Department). ; |
Approved |
Most recent IF: 4.123; 2014 IF: 4.493 |
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Call Number |
UA @ lucian @ c:irua:118263 |
Serial |
1469 |
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Permanent link to this record |
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Author |
Van Eynde, E.; Hu, Z.-Y.; Tytgat, T.; Verbruggen, S.W.; Watte, J.; Van Tendeloo, G.; Van Driessche, I.; Blust, R.; Lenaerts, S. |
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Title |
Diatom silica-titania photocatalysts for air purification by bio-accumulation of different titanium sources |
Type |
A1 Journal article |
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Year |
2016 |
Publication |
Environmental science : nano |
Abbreviated Journal |
Environ Sci-Nano |
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Volume |
3 |
Issue |
5 |
Pages |
1052-1061 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Sustainable Energy, Air and Water Technology (DuEL) |
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Abstract |
We present a green, biological production route for silica-titania photocatalysts using diatom microalgae. Diatoms are single-celled, eukaryotic microalgae (2-2000 mu m) that self-assemble soluble silicon (Si(OH)(4)) into intricate silica cell walls, called frustules. These diatom frustules are formed under ambient conditions and consist of hydrated silica with specific 3D morphologies and micro-meso or macroporosity. A remarkable characteristic of diatoms is their ability to bioaccumulate soluble titanium from cell culture medium and incorporate them into their nanostructured silica cell wall. Controlled cultivation of the diatom Pinnularia sp. on soluble titanium in a batch process resulted in the biological immobilisation of titanium dioxide in the porous 3D architecture of the frustules. Six different titanium sources are tested. The silica-titania frustules were isolated by treating the harvested Pinnularia cells with nitric acid (65%) or by high temperature treatment. Thermal annealing converted the amorphous titania into crystalline titania. The produced silica-titania material is evaluated towards photocatalytic activity for acetaldehyde (C2H4O) abatement. Frustules cultivated with TiBaldH showed the highest photocatalytic performance. Comparison of the photocatalytic activity with P25 reveals that P25 has a 4 fold higher photocatalytic activity, but when photocatalytic activity is normalized for titania content, the frustules show double activity. Further material characterization (morphology, crystallinity, surface area and elemental distribution) of the TiBaldH silica-titania frustules provides additional insight into their structure-activity relationship. These natural biosilicatitania materials have excellent properties for photocatalytic purposes, including high surface area (108 m(2) g(-1)) and good porosity, and show reliable immobilization of TiO2 in the ordered structure of the diatom frustule. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
Royal Society of Chemistry |
Place of Publication |
Cambridge |
Editor |
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Language |
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Wos |
000385257900011 |
Publication Date |
2016-07-21 |
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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 |
2051-8153; 2051-8161 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
6.047 |
Times cited |
7 |
Open Access |
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Notes |
; ; |
Approved |
Most recent IF: 6.047 |
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Call Number |
UA @ lucian @ c:irua:144751 |
Serial |
4644 |
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Permanent link to this record |
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Author |
Vagov, A.; Schomerus, H.; Shanenko, A. |
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Title |
Generalized Galitskii approach for the vertex function of a Fermi gas with resonant interaction |
Type |
A1 Journal article |
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Year |
2007 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
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Volume |
76 |
Issue |
21 |
Pages |
214513-214517 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
We present a generalized Galitskii approach for the Bethe-Salpeter equation for the two-particle vertex function of a Fermi system with the resonant interaction by accounting for the resonant state in the scattering potential and utilizing the universal form of the resonant scattering amplitude. The procedure can be carried out both for the normal as well as for the condensate state. In both cases, the vertex function in the vicinity of the resonance is shown to formally coincide with that obtained for a weakly attractive Fermi gas. Thus we justify the popular calculational framework in which results for the weakly attractive Fermi gas are formally extrapolated into the domain of strong coupling, and further to the repulsive side of the resonance, where molecular states are formed. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000251986100097 |
Publication Date |
2007-12-28 |
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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 |
1098-0121;1550-235X; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.836 |
Times cited |
8 |
Open Access |
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Notes |
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Approved |
Most recent IF: 3.836; 2007 IF: 3.172 |
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Call Number |
UA @ lucian @ c:irua:104037 |
Serial |
1324 |
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Permanent link to this record |
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Author |
Verberck, B. |
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Title |
Symmetry-adapted rotator functions for molecules in cylindrical confinement |
Type |
A1 Journal article |
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Year |
2011 |
Publication |
International journal of molecular sciences |
Abbreviated Journal |
Int J Mol Sci |
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Volume |
12 |
Issue |
1 |
Pages |
317-333 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
We present a general description of the formalism of symmetry-adapted rotator functions (SARFs) for molecules in cylindrical confinement. Molecules are considered as clusters of interaction centers (ICs), can have any symmetry, and can display different types of ICs. Cylindrical confinement can be realized by encapsulation in a carbon nanotube (CNT). The potential energy of a molecule surrounded by a CNT can be calculated by evaluating a limited number of terms of an expansion into SARFs, which offers a significant reduction of the computation time. Optimal molecular orientations can be deduced from the resulting potential energy landscape. Examples, including the case of a molecule with cubic symmetry inside a CNT, are discussed. |
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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 |
000286583400017 |
Publication Date |
2011-01-13 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1422-0067; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.226 |
Times cited |
1 |
Open Access |
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Notes |
; ; |
Approved |
Most recent IF: 3.226; 2011 IF: NA |
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Call Number |
UA @ lucian @ c:irua:88048 |
Serial |
3402 |
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Permanent link to this record |
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Author |
Eren, I.; Ozen, S.; Sozen, Y.; Yagmurcukardes, M.; Sahin, H. |
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Title |
Vertical van der Waals heterostructure of single layer InSe and SiGe |
Type |
A1 Journal article |
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Year |
2019 |
Publication |
The journal of physical chemistry: C : nanomaterials and interfaces |
Abbreviated Journal |
J Phys Chem C |
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Volume |
123 |
Issue |
51 |
Pages |
31232-31237 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
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Abstract |
We present a first-principles investigation on the stability, electronic structure, and mechanical response of ultrathin heterostructures composed of single layers of InSe and SiGe. First, by performing total energy optimization and phonon calculations, we show that single layers of InSe and SiGe can form dynamically stable heterostructures in 12 different stacking types. Valence and conduction band edges of the heterobilayers form a type-I heterojunction having a tiny band gap ranging between 0.09 and 0.48 eV. Calculations on elastic-stiffness tensor reveal that two mechanically soft single layers form a heterostructure which is stiffer than the constituent layers because of relatively strong interlayer interaction. Moreover, phonon analysis shows that the bilayer heterostructure has highly Raman active modes at 205.3 and 43.7 cm(-1), stemming from the out-of-plane interlayer mode and layer breathing mode, respectively. Our results show that, as a stable type-I heterojunction, ultrathin heterobilayer of InSe/SiGe holds promise for nanoscale device applications. |
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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 |
000505632900050 |
Publication Date |
2019-12-03 |
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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 |
1932-7447; 1932-7455 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
4.536 |
Times cited |
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Open Access |
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Notes |
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Approved |
Most recent IF: 4.536 |
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Call Number |
UA @ admin @ c:irua:165718 |
Serial |
6332 |
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Permanent link to this record |
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Author |
Saniz, R.; Sarmadian, N.; Partoens, B.; Batuk, M.; Hadermann, J.; Marikutsa, A.; Rumyantseva, M.; Gaskov, A.; Lamoen, D. |
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Title |
First-principles study of CO and OH adsorption on in-doped ZnO surfaces |
Type |
A1 Journal article |
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Year |
2019 |
Publication |
The journal of physics and chemistry of solids |
Abbreviated Journal |
J Phys Chem Solids |
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Volume |
132 |
Issue |
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Pages |
172-181 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT) |
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Abstract |
We present a first-principles computational study of CO and OH adsorption on non-polar ZnO (10¯10) surfaces doped with indium. The calculations were performed using a model ZnO slab. The position of the In dopants was varied from deep bulk-like layers to
the surface layers. It was established that the preferential location of the In atoms is at the surface by examining the dependence of
the defect formation energy as well as the surface energy on In location. The adsorption sites on the surface of ZnO and the energy
of adsorption of CO molecules and OH-species were determined in connection to In doping. It was found that OH has higher
bonding energy to the surface than CO. The presence of In atoms at the surface of ZnO is favorable for CO adsorption, resulting
in an elongation of the C-O bond and in charge transfer to the surface. The effect of CO and OH adsorption on the electronic
and conduction properties of surfaces was assessed. We conclude that In-doped ZnO surfaces should present a higher electronic
response upon adsorption of CO. |
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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 |
000472124700023 |
Publication Date |
2019-04-25 |
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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 |
0022-3697 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.059 |
Times cited |
7 |
Open Access |
Not_Open_Access: Available from 26.04.2021
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Notes |
FWO-Vlaanderen, G0D6515N ; ERA.Net RUS Plus, 096 ; VSC; HPC infrastructure of the University of Antwerp; FWO-Vlaanderen; Flemish Government-department EWI; |
Approved |
Most recent IF: 2.059 |
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Call Number |
EMAT @ emat @UA @ admin @ c:irua:159656 |
Serial |
5170 |
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Permanent link to this record |
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Author |
Saniz, R.; Bekaert, J.; Partoens, B.; Lamoen, D. |
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Title |
First-principles study of defects at Σ3 grain boundaries in CuGaSe2 |
Type |
A1 Journal article |
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Year |
2021 |
Publication |
Solid State Communications |
Abbreviated Journal |
Solid State Commun |
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Volume |
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Issue |
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Pages |
114263 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT); Electron microscopy for materials research (EMAT) |
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Abstract |
We present a first-principles computational study of cation–Se 3 (112) grain boundaries in CuGaSe. We discuss the structure of these grain boundaries, as well as the effect of native defects and Na impurities on their electronic properties. The formation energies show that the defects will tend to form preferentially at the grain boundaries, rather than in the grain interiors. We find that in Ga-rich growth conditions Cu vacancies as well as Ga at Cu and Cu at Ga antisites are mainly responsible for having the equilibrium Fermi level pinned toward the middle of the gap, resulting in carrier depletion. The Na at Cu impurity in its +1 charge state contributes to this. In Ga-poor growth conditions, on the other hand, the formation energies of Cu vacancies and Ga at Cu antisites are comparatively too high for any significant influence on carrier density or on the equilibrium Fermi level position. Thus, under these conditions, the Cu at Ga antisites give rise to a -type grain boundary. Also, their formation energy is lower than the formation energy of Na at Cu impurities. Thus, the latter will fail to act as a hole barrier preventing recombination at the grain boundary, in contrast to what occurs in CuInSe grain boundaries. We also discuss the effect of the defects on the electronic properties of bulk CuGaSe, which we assume reflect the properties of the grain interiors. |
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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 |
000652668500013 |
Publication Date |
2021-03-12 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0038-1098 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
1.554 |
Times cited |
1 |
Open Access |
OpenAccess |
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Notes |
Fwo; We acknowledge the financial support of FWO-Vlaanderen, Belgium through project G.0150.13. The computational resources and services used in this work were provided by the VSC (Flemish Supercomputer Center) and the HPC infrastructure of the University of Antwerp (CalcUA), both funded by FWO-Vlaanderen and the Flemish Government-department EWI. |
Approved |
Most recent IF: 1.554 |
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Call Number |
EMAT @ emat @c:irua:176544 |
Serial |
6703 |
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Permanent link to this record |
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Author |
Li, L.L.; Xu, W.; Peeters, F.M. |
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Title |
Optical conductivity of topological insulator thin films |
Type |
A1 Journal article |
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Year |
2015 |
Publication |
Journal of applied physics |
Abbreviated Journal |
J Appl Phys |
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Volume |
117 |
Issue |
117 |
Pages |
175305 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
We present a detailed theoretical study on the optoelectronic properties of topological insulator thin film (TITFs). The k . p approach is employed to calculate the energy spectra and wave functions for both the bulk and surface states in the TITF. With these obtained results, the optical conductivities induced by different electronic transitions among the bulk and surface states are evaluated using the energy-balance equation derived from the Boltzmann equation. We find that for Bi2Se3-based TITFs, three characteristic regimes for the optical absorption can be observed. (i) In the low radiation frequency regime (photon energy (h) over bar omega < 200 meV), the free-carrier absorption takes place due to intraband electronic transitions. An optical absorption window can be observed. (ii) In the intermediate radiation frequency regime (200 < (h) over bar omega < 300 meV), the optical absorption is induced mainly by interband electronic transitions from surface states in the valance band to surface states in the conduction band and an universal value sigma(0) = e(2) / (8<(h)over bar>) for the optical conductivity can be obtained. (iii) In the high radiation frequency regime ((h) over bar omega > 300 meV), the optical absorption can be achieved via interband electronic transitions from bulk and surface states in the valance band to bulk and surface states in the conduction band. A strong absorption peak can be observed. These interesting findings indicate that optical measurements can be applied to identify the energy regimes of bulk and surface states in the TITF. (C) 2015 AIP Publishing LLC. |
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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 |
000354984100615 |
Publication Date |
2015-05-06 |
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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 |
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Series Issue |
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Edition |
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ISSN |
0021-8979;1089-7550; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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|
Impact Factor |
2.068 |
Times cited |
9 |
Open Access |
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|
Notes |
; This work was supported by the National Natural Science Foundation of China (Grant No. 11304316), Ministry of Science and Technology of China (Grant No. 2011YQ130018), Department of Science and Technology of Yunnan Province, and by the Chinese Academy of Sciences. ; |
Approved |
Most recent IF: 2.068; 2015 IF: 2.183 |
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Call Number |
c:irua:126412 |
Serial |
2473 |
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Permanent link to this record |
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Author |
Li, Q.N.; Xu, W.; Xiao, Y.M.; Ding, L.; Van Duppen, B.; Peeters, F.M. |
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Title |
Optical absorption window in Na₃Bi based three-dimensional Dirac electronic system |
Type |
A1 Journal article |
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Year |
2020 |
Publication |
Journal Of Applied Physics |
Abbreviated Journal |
J Appl Phys |
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Volume |
128 |
Issue |
15 |
Pages |
155707 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
We present a detailed theoretical study of the optoelectronic properties of a Na3Bi based three-dimensional Dirac electronic system (3DDES). The optical conductivity is evaluated using the energy-balance equation derived from a Boltzmann equation, where the electron Hamiltonian is taken from a simplified k . p approach. We find that for short-wavelength irradiation, the optical absorption in Na3Bi is mainly due to inter-band electronic transitions. In contrast to the universal optical conductance observed for graphene, the optical conductivity for Na3Bi based 3DDES depends on the radiation frequency but not on temperature, carrier density, and electronic relaxation time. In the radiation wavelength regime of about 5 mu m, < lambda < 200 mu m, an optical absorption window is found. This is similar to what is observed in graphene. The position and width of the absorption window depend on the direction of the light polarization and sensitively on temperature, carrier density, and electronic relaxation time. Particularly, we demonstrate that the inter-band optical absorption channel can be switched on and off by applying the gate voltage. This implies that similar to graphene, Na3Bi based 3DDES can also be applied in infrared electro-optical modulators. Our theoretical findings are helpful in gaining an in-depth understanding of the basic optoelectronic properties of recently discovered 3DDESs. |
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Corporate Author |
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Thesis |
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Place of Publication |
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Editor |
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Language |
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Wos |
000585807400004 |
Publication Date |
2020-10-21 |
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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 |
0021-8979; 1089-7550 |
ISBN |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
3.2 |
Times cited |
1 |
Open Access |
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|
Notes |
; This work was supported by the National Natural Science Foundation of China (NNSFC Nos. U1930116, U1832153, 11764045, 11574319, and 11847054) and the Center of Science and Technology of Hefei Academy of Science (No. 2016FXZY002). Applied Basic Research Foundation of Department of Science and Technology of Yunnan Province (No. 2019FD134), the Department of Education of Yunnan Province (No. 2018JS010), the Young Backbone Teachers Training Program of Yunnan University, and the Department of Science and Technology of Yunnan Province are acknowledged. ; |
Approved |
Most recent IF: 3.2; 2020 IF: 2.068 |
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Call Number |
UA @ admin @ c:irua:173591 |
Serial |
6571 |
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Permanent link to this record |
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Author |
Han, F.W.; Xu, W.; Li, L.L.; Zhang, C.; Dong, H.M.; Peeters, F.M. |
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Title |
Electronic and transport properties of n-type monolayer black phosphorus at low temperatures |
Type |
A1 Journal article |
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Year |
2017 |
Publication |
Physical review B |
Abbreviated Journal |
Phys Rev B |
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Volume |
95 |
Issue |
95 |
Pages |
115436 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
We present a detailed theoretical study of the electronic and transport properties of monolayer black phosphorus (BP). This study is motivated by recent experimental activities in investigating n-type few-layer BP systems. The electron density of states, the screening length, and the low-temperature electron mobility are calculated for monolayer BP (MLBP). In particular, the electron transport mobilities along the armchair and zigzag directions are examined on the basis of the momentum-balance equation derived from a semiclassical Boltzmann equation. The anisotropic electron mobilities in MLBP along different directions are demonstrated where the electron-impurity scattering is considered. Furthermore, we compare the results obtained from two electronic band structures of MLBP and find that the simplified model can describe quite rightly the electronic and transport properties of MLBP. This study is relevant to the application of few-layer BP based electronic systems as advanced electronic devices. |
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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 |
000399140700012 |
Publication Date |
2017-03-27 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
|
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ISSN |
2469-9950 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.836 |
Times cited |
12 |
Open Access |
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Notes |
National Natural Science Foundation of China, 11574319 11304316 11304317 11604380 ; Ministry of Science and Technology of the People's Republic of China, 2011YQ130018 ; Chinese Academy of Sciences; |
Approved |
Most recent IF: 3.836 |
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Call Number |
CMT @ cmt @ c:irua:142431 |
Serial |
4564 |
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Permanent link to this record |
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Author |
Liu, J.; Xu, W.; Xiao, Y.M.; Ding, L.; Li, H.W.; Van Duppen, B.; Milošević, M.V.; Peeters, F.M. |
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Title |
Longitudinal and transverse mobilities of n-type monolayer transition metal dichalcogenides in the presence of proximity-induced interactions at low temperature |
Type |
A1 Journal article |
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Year |
2024 |
Publication |
Physical review B |
Abbreviated Journal |
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Volume |
109 |
Issue |
19 |
Pages |
195418-14 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
We present a detailed theoretical investigation on the electronic transport properties of n-type monolayer (ML) transition metal dichalcogenides (TMDs) at low temperature in the presence of proximity-induced interactions such as Rashba spin-orbit coupling (RSOC) and the exchange interaction. The electronic band structure is calculated by solving the Schr & ouml;dinger equation with a k <middle dot> p Hamiltonian, and the electric screening induced by electron-electron interaction is evaluated under a standard random phase approximation approach. In particular, the longitudinal and transverse or Hall mobilities are calculated by using a momentum-balance equation derived from a semiclassical Boltzmann equation, where the electron-impurity interaction is considered as the principal scattering center at low temperature. The obtained results show that the RSOC can induce the in-plane spin components for spin-split subbands in different valleys, while the exchange interaction can lift the energy degeneracy for electrons in different valleys. The opposite signs of Berry curvatures in the two valleys would introduce opposite directions of Lorentz force on valley electrons. As a result, the transverse currents from nondegenerate valleys can no longer be canceled out so that the transverse current or Hall mobility can be observed. Interestingly, we find that at a fixed effective Zeeman field, the lowest spin-split conduction subband in ML-TMDs can be tuned from one in the K'-valley to one in the K-valley by varying the Rashba parameter. The occupation of electrons in different valleys also varies with changing carrier density. Therefore, we can change the magnitude and direction of the Hall current by varying the Rashba parameter, effective Zeeman field, and carrier density by, e.g., the presence of a ferromagnetic substrate and/or applying a gate voltage. By taking the ML-MoS2 as an example, these effects are demonstrated and examined. The important and interesting theoretical findings can be beneficial to experimental observation of the valleytronic effect and to gaining an in-depth understanding of the ML-TMD systems in the presence of proximity-induced interactions. |
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Corporate Author |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
001237245700001 |
Publication Date |
2024-05-08 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
2469-9969; 2469-9950 |
ISBN |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
3.7 |
Times cited |
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Open Access |
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Notes |
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Approved |
Most recent IF: 3.7; 2024 IF: 3.836 |
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Call Number |
UA @ admin @ c:irua:206596 |
Serial |
9302 |
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Permanent link to this record |
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Author |
Fedina, L.; Lebedev, O.I.; Van Tendeloo, G.; van Landuyt, J.; Mironov, O.A.; Parker, E.H.C. |
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Title |
In situ HREM irradiation study of point-defect clustering in MBE-grown strained Si1-xGex/(001)Si structures |
Type |
A1 Journal article |
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Year |
2000 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
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Volume |
61 |
Issue |
15 |
Pages |
10336-10345 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
We present a detailed analysis of the point-defect clustering in strained Si/Si(1-x)Ge(x)/(001)Si structures, including the interaction of the point defects with the strained interfaces and the sample surface during 400 kV electron irradiation at room temperature. Point-defect cluster formation is very sensitive to the type and magnitude of the strain in the Si and Si(1-x)Ge(x) layers. A small compressive strain (-0.3%) in the SiGe alloy causes an aggregation of vacancies in the form of metastable [110]-oriented chains. They are located on {113} planes and further recombine with interstitials. Tensile strain in the Si layer causes an aggregation of interstitial atoms in the forms of additional [110] rows which are inserted on {113} planes with [001]-split configurations. The chainlike configurations are characterized by a large outward lattice relaxation for interstitial rows (0.13 +/-0.01 nm) and a very small inward relaxation for vacancy chains (0.02+/-0.01 nm). A compressive strain higher than -0.5% strongly decreases point-defect generation inside the strained SiGe alloy due to the large positive value of the formation volume of a Frenkel pair. This leads to the suppression of point-defect clustering in a strained SiGe alloy so that SiGe relaxes via a diffusion of vacancies from the Si layer, giving rise to an intermixing at the Si/SiGe interface. In material with a 0.9% misfit a strongly increased flow of vacancies from the Si layer to the SiGe layer and an increased biaxial strain in SiGe bath promote the preferential aggregation of vacancies in the (001) plane, which relaxes to form intrinsic 60 degrees dislocation loops. |
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Place of Publication |
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Wos |
000086606200082 |
Publication Date |
2002-07-27 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0163-1829;1095-3795; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.836 |
Times cited |
27 |
Open Access |
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Notes |
Conference Name: Microsc. Semicond. Mater. Conf. |
Approved |
Most recent IF: 3.836; 2000 IF: NA |
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Call Number |
UA @ lucian @ c:irua:103456 |
Serial |
1577 |
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Permanent link to this record |
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Author |
Schalm, O.; Cabal, A.; Anaf, W.; Leyva Pernia, D.; Callier, J.; Ortega, N. |
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Title |
A decision support system for preventive conservation : from measurements towards decision making |
Type |
A1 Journal article |
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Year |
2019 |
Publication |
The European Physical Journal Plus |
Abbreviated Journal |
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Volume |
134 |
Issue |
2 |
Pages |
74-11 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Antwerp Systems and software Modelling (AnSyMo); AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Antwerp Cultural Heritage Sciences (ARCHES) |
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Abstract |
We present a decision-support system that guides heritage guardians in selecting mitigation actions to improve the indoor air quality and thus the preservation conditions of indoor collections in heritage buildings. This contribution shows that it is feasible to build a decision support system dedicated to preventive conservation when the following barriers are overcome: 1) simultaneous measurement of a wide range of environmental parameters in order to detect a larger number of undesired situations; 2) development of an algorithm to perform reproducible indoor air quality assessments; and 3) transformation of the air quality assessment into a graph that can be read intuitively without causing a wide variation of interpretations among stakeholders. An important aspect of the decision support system is that it reduces several sources of uncertainty that hamper reliable indoor air quality assessments. The possibilities of such a system are illustrated with a measurement campaign in a church where a heating system has been installed and used for the first time. |
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Wos |
000459506300002 |
Publication Date |
2019-02-20 |
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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 |
2190-5444 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
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Times cited |
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Open Access |
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Notes |
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Approved |
no |
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Call Number |
UA @ admin @ c:irua:157817 |
Serial |
7756 |
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Permanent link to this record |
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Author |
Wanten, B.; Maerivoet, S.; Vantomme, C.; Slaets, J.; Trenchev, G.; Bogaerts, A. |
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Title |
Dry reforming of methane in an atmospheric pressure glow discharge: Confining the plasma to expand the performance |
Type |
A1 Journal article |
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Year |
2022 |
Publication |
Journal Of Co2 Utilization |
Abbreviated Journal |
J Co2 Util |
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Volume |
56 |
Issue |
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Pages |
101869 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
We present a confined atmospheric pressure glow discharge plasma reactor, with very good performance towards dry reforming of methane, i.e., CO2 and CH4 conversion of 64 % and 94 %, respectively, at an energy cost of 3.5–4 eV/molecule (or 14–16 kJ/L). This excellent performance is among the best reported up to now for all types of plasma reactors in literature, and is due to the confinement of the plasma, which maximizes the fraction of gas passing through the active plasma region. The main product formed is syngas, with H2O and C2H2 as byproducts. We developed a quasi-1D chemical kinetics model, showing good agreement with the experimental results, which provides a thorough insight in the reaction pathways underlying the conversion of CO2 and CH4 and the formation of the different products. |
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Place of Publication |
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Wos |
000740230000002 |
Publication Date |
2021-12-23 |
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Series Editor |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
2212-9820 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
7.7 |
Times cited |
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Open Access |
OpenAccess |
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Notes |
Vlaamse regering; European Research Council, 810182 ; Herculesstichting; European Research Council; Horizon 2020 Framework Programme; Universiteit Antwerpen; This project has received funding from the European Research Council (ERC) under the European Union’s Horizon 2020 research and innovation programme (grant agreement No 810182 – SCOPE ERC Synergy project), and through long-term structural funding (Methusalem). 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. Finally, we thank T. Kenis, J. Van den Hoek, and T. Breugelmans from the University of Antwerp, for per forming the liquid analysis. |
Approved |
Most recent IF: 7.7 |
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Call Number |
PLASMANT @ plasmant @c:irua:185163 |
Serial |
6899 |
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Permanent link to this record |
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Author |
Snoeckx, R.; Aerts, R.; Tu, X.; Bogaerts, A. |
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Title |
Plasma-based dry reforming : a computational study ranging from the nanoseconds to seconds time scale |
Type |
A1 Journal article |
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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 |
10 |
Pages |
4957-4970 |
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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 present a computational study for the conversion of CH4 and CO2 into value-added chemicals, i.e., the so-called dry reforming of methane, in a dielectric barrier discharge reactor. A zero-dimensional chemical kinetics model is applied to study the plasma chemistry in a 1:1 CH4/CO2 mixture. The calculations are first performed for one microdischarge pulse and its afterglow, to study in detail the chemical pathways of the conversion. Subsequently, long time-scale simulations are carried out, corresponding to real residence times in the plasma, assuming a large number of consecutive microdischarge pulses, to mimic the conditions of the filamentary discharge regime in a dielectric barrier discharge (DBD) reactor. The conversion of CH4 and CO2 as well as the selectivity of the formed products and the energy cost and energy efficiency of the process are calculated and compared to experiments for a range of different powers and gas flows, and reasonable agreement is reached. |
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Place of Publication |
Washington, D.C. |
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Wos |
000316308400010 |
Publication Date |
2013-02-18 |
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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 |
118 |
Open Access |
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Notes |
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Approved |
Most recent IF: 4.536; 2013 IF: 4.835 |
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Call Number |
UA @ lucian @ c:irua:106516 |
Serial |
2628 |
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Permanent link to this record |
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Author |
Vos, P.E.J.; Nikolova, I.; Janssen, S. |
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Title |
A high-order model for accurately simulating the size distribution of ultrafine particles in a traffic tunnel |
Type |
A1 Journal article |
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Year |
2012 |
Publication |
Atmospheric environment : an international journal |
Abbreviated Journal |
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Volume |
59 |
Issue |
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Pages |
415-425 |
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Keywords |
A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL) |
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Abstract |
We present a computational model for simulating the dispersion of traffic emitted particulate matter inside a road tunnel, with an emphasis on the number concentration of ultrafine particles (UFP). The model primarily calculates the size distribution of the particle number concentration at each location inside the tunnel. The proposed model differs from existing models in the sense that it uses a continuous representation of the size distribution based upon the high-order finite element method and that it solves the governing equations using the state-of-the-art discontinuous Galerkin method. Next to the traditional transport processes, the model also implements the most important aerosol transformation processes such as coagulation, condensation and dry deposition. It is shown that based upon parametrisations found in literature, the process of condensation in a traffic tunnel cannot properly be modelled. Therefore, we present a correction factor that allows for a better parametrisation. The adequate performance of the model is demonstrated by both a verification study and a validation study. For the verification we show that the discretisation error converges consistently while for the validation we compare the modelled results with a suitable set of data from a UFP measurement campaign in a Taiwanese traffic tunnel. The model is shown to correctly simulate the observed behaviour and by applying a statistical model evaluation we demonstrate that the proposed model meets widely accepted air quality model acceptance criteria. (C) 2012 Elsevier Ltd. All rights reserved. |
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Wos |
000309081100047 |
Publication Date |
2012-05-25 |
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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 |
1352-2310 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
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Times cited |
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Open Access |
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Notes |
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Approved |
no |
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Call Number |
UA @ admin @ c:irua:101793 |
Serial |
8033 |
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Permanent link to this record |
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Author |
Tsirlin, A.A.; Abakumov, A.M.; Ritter, C.; Henry, P.F.; Janson, O.; Rosner, H. |
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Title |
Short-range order of Br and three-dimensional magnetism in (CuBr)LaNb2O7 |
Type |
A1 Journal article |
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Year |
2012 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
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Volume |
85 |
Issue |
21 |
Pages |
214427 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
We present a comprehensive study of the crystal structure, magnetic structure, and microscopic magnetic model of (CuBr)LaNb2O7, the Br analog of the spin-gap quantum magnet (CuCl) LaNb2O7. Despite similar crystal structures and spin lattices, the magnetic behavior and even peculiarities of the atomic arrangement in the Cl and Br compounds are very different. The high- resolution x-ray and neutron data reveal a split position of Br atoms in (CuBr) LaNb2O7. This splitting originates from two possible configurations developed by [CuBr] zigzag ribbons. While the Br atoms are locally ordered in the ab plane, their arrangement along the c direction remains partially disordered. The predominant and energetically more favorable configuration features an additional doubling of the c lattice parameter that was not observed in (CuCl) LaNb2O7. (CuBr) LaNb2O7 undergoes long-range antiferromagnetic ordering at T-N = 32 K, which is nearly 70% of the leading exchange coupling J4 similar or equal to 48 K. The Br compound does not show any experimental signatures of low-dimensional magnetism because the underlying spin lattice is three-dimensional. The coupling along the c direction is comparable to the couplings in the ab plane, even though the shortest Cu-Cu distance along c (11.69 angstrom) is three times larger than nearest-neighbor distances in the ab plane (3.55 angstrom). The stripe antiferromagnetic long-range order featuring columns of parallel spins in the ab plane and antiparallel spins along c is verified experimentally and confirmed by the microscopic analysis. |
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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 |
000305557600002 |
Publication Date |
2012-06-22 |
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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 |
|
Edition |
|
|
|
ISSN |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
3.836 |
Times cited |
5 |
Open Access |
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Notes |
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Approved |
Most recent IF: 3.836; 2012 IF: 3.767 |
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Call Number |
UA @ lucian @ c:irua:100289 |
Serial |
2998 |
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Permanent link to this record |
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Author |
Snoeckx, R.; Setareh, M.; Aerts, R.; Simon, P.; Maghari, A.; Bogaerts, A. |
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Title |
Influence of N2 concentration in a CH4/N2 dielectric barrier discharge used for CH4 conversion into H2 |
Type |
A1 Journal article |
|
Year |
2013 |
Publication |
International journal of hydrogen energy |
Abbreviated Journal |
Int J Hydrogen Energ |
|
|
Volume |
38 |
Issue |
36 |
Pages |
16098-16120 |
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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 present a combined study of experimental and computational work for a dielectric barrier discharge (DBD) used for CH4 conversion into H2. More specifically, we investigated the influence of N2 as an impurity (150,000 ppm) and as additive gas (199%) on the CH4 conversion and H2 yield. For this purpose, a zero-dimensional chemical kinetics model is applied to study the plasma chemistry. The calculated conversions and yields for various gas mixing ratios are compared to the obtained experimental values, and good agreement is achieved. The study reveals the significance of the View the MathML source and View the MathML source metastable states for the CH4 conversion into H2, based on a kinetic analysis of the reaction chemistry. |
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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 |
Oxford |
Editor |
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Language |
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Wos |
000327904500027 |
Publication Date |
2013-10-23 |
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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 |
0360-3199; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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|
Impact Factor |
3.582 |
Times cited |
40 |
Open Access |
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|
Notes |
|
Approved |
Most recent IF: 3.582; 2013 IF: 2.930 |
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Call Number |
UA @ lucian @ c:irua:111372 |
Serial |
1642 |
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Permanent link to this record |
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Author |
Yu, CP.; Vega Ibañez, F.; Béché, A.; Verbeeck, J. |
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Title |
Quantum wavefront shaping with a 48-element programmable phase plate for electrons |
Type |
A1 Journal Article |
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Year |
2023 |
Publication |
SciPost Physics |
Abbreviated Journal |
SciPost Phys. |
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Volume |
15 |
Issue |
|
Pages |
223 |
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Keywords |
A1 Journal Article; Electron Microscopy for Materials Science (EMAT) |
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Abstract |
We present a 48-element programmable phase plate for coherent electron waves produced by a combination of photolithography and focused ion beam. This brings the highly successful concept of wavefront shaping from light optics into the realm of electron optics and provides an important new degree of freedom to prepare electron quantum states. The phase plate chip is mounted on an aperture rod placed in the C2 plane of a transmission electron microscope operating in the 100-300 kV range. The phase plate's behavior is characterized by a Gerchberg-Saxton algorithm, showing a phase sensitivity of 0.075 rad/mV at 300 kV, with a phase resolution of approximately 3x10e−3π. In addition, we provide a brief overview of possible use cases and support it with both simulated and experimental results. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
SciPost |
Place of Publication |
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Editor |
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Language |
English |
Wos |
001116838500002 |
Publication Date |
2023-12-04 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
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Edition |
|
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|
ISSN |
2542-4653 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
5.5 |
Times cited |
1 |
Open Access |
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|
Notes |
This project is the result of a long-term effort involving many differ- ent sources of funding: JV acknowledges funding from an ERC proof of concept project DLV- 789598 ADAPTEM, as well as a University IOF proof of concept project towards launching the AdaptEM spin-off and the eBEAM project, supported by the European Union’s Horizon 2020 research and innovation program FETPROACT-EIC-07-2020: emerging paradigms and com- munities. This project has received funding from the European Union’s Horizon 2020 research and innovation program under grant agreement No 823717 – ESTEEM3 and via The IMPRESS project from the HORIZON EUROPE framework program for research and innovation under grant agreement n. 101094299. FV, JV, and AB acknowledge funding from G042820N ‘Explor- ing adaptive optics in transmission electron microscopy.’ CPY acknowledges funding from a TOP-BOF project from the University of Antwerp. |
Approved |
Most recent IF: 5.5; 2023 IF: NA |
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Call Number |
EMAT @ emat @c:irua:202037 |
Serial |
8984 |
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Permanent link to this record |
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Author |
Sun, S.R.; Kolev, S.; Wang, H.X.; Bogaerts, A. |
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Title |
Coupled gas flow-plasma model for a gliding arc: investigations of the back-breakdown phenomenon and its effect on the gliding arc characteristics |
Type |
A1 Journal article |
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Year |
2017 |
Publication |
Plasma sources science and technology |
Abbreviated Journal |
Plasma Sources Sci T |
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Volume |
26 |
Issue |
26 |
Pages |
015003 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
We present a 3D and 2D Cartesian quasi-neutral plasma model for a low current argon gliding arc discharge, including strong interactions between the gas flow and arc plasma column.
The 3D model is applied only for a short time of 0.2 ms due to its huge computational cost. It mainly serves to verify the reliability of the 2D model. As the results in 2D compare well with those in 3D, they can be used for a better understanding of the gliding arc basic characteristics. More specifically, we investigate the back-breakdown phenomenon induced by an artificially controlled plasma channel, and we discuss its effect on the gliding arc characteristics. The
back-breakdown phenomenon, or backward-jump motion of the arc, as observed in the experiments, results in a drop of the gas temperature, as well as in a delay of the arc velocity with respect to the gas flow velocity, allowing more gas to pass through the arc, and thus increasing the efficiency of the gliding arc for gas treatment 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 |
000419253000001 |
Publication Date |
2016-11-22 |
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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 |
1361-6595 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.302 |
Times cited |
9 |
Open Access |
OpenAccess |
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Notes |
This work is financially supported by the Methusalem financing, by the Fund for Scientific Research Flanders (FWO) and by the IAP/7 (Inter-university Attraction Pole) program ‘Physical Chemistry of Plasma-Surface Interactions’ from the Belgian Federal Office for Science Policy (BELSPO). The work was carried out in part using the Turing HPC infrastructure of the CalcUA core facility of the Universiteit Antwerpen, a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government (department EWI) and the Universiteit Antwerpen. This work was also supported by the National Natural Science Foundation of China (Grant Nos. 11275021, 11575019). S R Sun thanks the financial support from the China Scholarship Council. |
Approved |
Most recent IF: 3.302 |
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Call Number |
PLASMANT @ plasmant @ c:irua:138993 |
Serial |
4337 |
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Permanent link to this record |
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Author |
Vodolazov, D.Y.; Peeters, F.M. |
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Title |
Heating of quasiparticles driven by oscillations of the order parameter in short superconducting microbridges |
Type |
A1 Journal article |
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Year |
2011 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
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Volume |
83 |
Issue |
22 |
Pages |
224523-224523,6 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
We predict heating of quasiparticles driven by order parameter oscillations in the resistive state of short superconducting microbridges. The finite relaxation time of the magnitude of the order parameter |Δ| and the dependence of the spectral functions both on |Δ| and the supervelocity Q are the origin of this effect. Our results are opposite to those of Aslamazov and Larkin [ Zh. Eks. Teor. Fiz. 70 1340 (1976)] and Schmid et al. [ Phys. Rev. B 21 5076 (1980)] where cooling of quasiparticles was found. |
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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 |
000292218200010 |
Publication Date |
2011-06-29 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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|
Impact Factor |
3.836 |
Times cited |
4 |
Open Access |
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Notes |
; This work was supported by the Russian Foundation for Basic Research, Russian Agency of Education under the Federal Target Programme “Scientific and educational personnel of innovative Russia in 2009-2013,” Flemish Science Foundation (FWO-Vl), and the Belgian Science Policy (IAP). ; |
Approved |
Most recent IF: 3.836; 2011 IF: 3.691 |
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Call Number |
UA @ lucian @ c:irua:90924 |
Serial |
1415 |
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Permanent link to this record |
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Author |
Zarenia, M.; Perali, A.; Peeters, F.M.; Neilson, D. |
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Title |
Large gap electron-hole superfluidity and shape resonances in coupled graphene nanoribbons |
Type |
A1 Journal article |
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Year |
2016 |
Publication |
Scientific reports |
Abbreviated Journal |
Sci Rep-Uk |
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Volume |
6 |
Issue |
6 |
Pages |
24860 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
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Abstract |
We predict enhanced electron-hole superfluidity in two coupled electron-hole armchair-edge terminated graphene nanoribbons separated by a thin insulating barrier. In contrast to graphene monolayers, the multiple subbands of the nanoribbons are parabolic at low energy with a gap between the conduction and valence bands, and with lifted valley degeneracy. These properties make screening of the electron-hole interaction much weaker than for coupled electron-hole monolayers, thus boosting the pairing strength and enhancing the superfluid properties. The pairing strength is further boosted by the quasi one-dimensional quantum confinement of the carriers, as well as by the large density of states near the bottom of each subband. The latter magnifies superfluid shape resonances caused by the quantum confinement. Several superfluid partial condensates are present for finite-width nanoribbons with multiple subbands. We find that superfluidity is predominately in the strongly-coupled BEC and BCS-BEC crossover regimes, with large superfluid gaps up to 100 meV and beyond. When the gaps exceed the subband spacing, there is significant mixing of the subbands, a rounding of the shape resonances, and a resulting reduction in the one-dimensional nature of the system. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
Nature Publishing Group |
Place of Publication |
London |
Editor |
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Language |
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Wos |
000374654500002 |
Publication Date |
2016-04-25 |
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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 |
2045-2322 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
4.259 |
Times cited |
7 |
Open Access |
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Notes |
; M.Z. acknowledges support by the Flemish Science Foundation (FWO-Vl), the University Research Fund (BOF), and the European Science Foundation (POLATOM). A.P. and D.N. acknowledge support by the University of Camerino FAR project CESEMN. The authors thank the colleagues involved in the MultiSuper International Network (http://www.multisuper.org) for exchange of ideas and suggestions for this work. ; |
Approved |
Most recent IF: 4.259 |
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Call Number |
UA @ lucian @ c:irua:133619 |
Serial |
4201 |
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Permanent link to this record |
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Author |
Papp, G.; Peeters, F.M. |
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Title |
Comment on “Tunable spin-injection and magnetoconductance in a novel 2DEG-ferromagnet structure” [phys. stat. sol. (b) 235, No. 1, 157-161 (2003)] |
Type |
A1 Journal article |
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Year |
2004 |
Publication |
Physica status solidi: B: basic research |
Abbreviated Journal |
Phys Status Solidi B |
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Volume |
241 |
Issue |
1 |
Pages |
222-223 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
We point out that the predicted strong spin-injection effect by Jiang and Jalil [phys. stat. sol. (b) 235, 157 (2003)] for a double magnetic barrier structure is based on a wrong calculation of the transmission probability. We corrected the result and found no significant spin-injection. |
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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 |
Berlin |
Editor |
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Language |
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Wos |
000188585200028 |
Publication Date |
2003-12-29 |
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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 |
0370-1972;1521-3951; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
1.674 |
Times cited |
11 |
Open Access |
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Notes |
|
Approved |
Most recent IF: 1.674; 2004 IF: 0.982 |
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Call Number |
UA @ lucian @ c:irua:103257 |
Serial |
413 |
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Permanent link to this record |
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Author |
Albrecht, W.; Deng, T.-S.; Goris, B.; van Huis, M.A.; Bals, S.; van Blaaderen, A. |
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Title |
Single Particle Deformation and Analysis of Silica-Coated Gold Nanorods before and after Femtosecond Laser Pulse Excitation |
Type |
A1 Journal article |
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Year |
2016 |
Publication |
Nano letters |
Abbreviated Journal |
Nano Lett |
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Volume |
16 |
Issue |
16 |
Pages |
1818-1825 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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Abstract |
We performed single particle deformation experiments on silica-coated gold nanorods under femtosecond (fs) illumination. Changes in the particle shape were analyzed by electron microscopy and associated changes in the plasmon resonance by electron energy loss spectroscopy. Silica-coated rods were found to be more stable compared to uncoated rods but could still be deformed via an intermediate bullet-like shape for silica shell thicknesses of 14 nm. Changes in the size ratio of the rods after fs-illumination resulted in blue-shifting of the longitudinal plasmon resonances. Two-dimensional spatial mapping of the plasmon resonances revealed that the flat side of the bullet-like particles showed a less pronounced longitudinal plasmonic electric field enhancement. These findings were confirmed by finite-difference time-domain (FDTD) simulations. Furthermore, at higher laser fluences size reduction of the particles was found as well as for particles that were not completely deformed yet. |
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Address |
Soft Condensed Matter, Debye Institute for Nanomaterials Science, Utrecht University , Princetonplein 5, 3584 CC Utrecht, The Netherlands |
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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 |
English |
Wos |
000371946300045 |
Publication Date |
2016-02-12 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1530-6984 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
12.712 |
Times cited |
55 |
Open Access |
OpenAccess |
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Notes |
We thank Dr. Nicolas Gauquelin for his assistance during the EELS measurements and Thomas Atlantzis for the high-resolution images of the gold clusters. We furthermore thank Ernest van der Wee for the simulation of the confocal point spread functions. The authors acknowledge financial support from the European Research Council under the European Unions Seventh Framework Programme (FP-2007-2013)/ERC Advanced Grant Agreement #291667 HierarSACol and the Foundation of Fundamental Research on Matter (FOM), which is part of the Netherlands Organisation for Scientific Research (NWO). The authors furthermore acknowledge financial support from European Research Council (ERC Starting Grant #335078-COLOURATOMS). The authors also appreciate financial support from the European Union under the Seventh Framework Program (Integrated Infrastructure Initiative N. 262348 European Soft Matter Infrastructure, ESMI). This work was supported by the Flemish Fund for Scientific Research (FWO Vlaanderen) through a postdoctoral research grant to B.G.; ECAS_Sara; (ROMEO:white; preprint:; postprint:restricted 12 months embargo; pdfversion:cannot); |
Approved |
Most recent IF: 12.712 |
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Call Number |
c:irua:131924 c:irua:131924 |
Serial |
4016 |
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Permanent link to this record |
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Author |
Van der Paal, J.; Neyts, E.C.; Verlackt, C.C.W.; Bogaerts, A. |
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Title |
Effect of lipid peroxidation on membrane permeability of cancer and normal cells subjected to oxidative stress |
Type |
A1 Journal article |
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Year |
2016 |
Publication |
Chemical science |
Abbreviated Journal |
Chem Sci |
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Volume |
7 |
Issue |
7 |
Pages |
489-498 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
We performed molecular dynamics simulations to investigate the effect of lipid peroxidation products on the structural and dynamic properties of the cell membrane. Our simulations predict that the lipid order in a phospholipid bilayer, as a model system for the cell membrane, decreases upon addition of lipid peroxidation products. Eventually, when all phospholipids are oxidized, pore formation can occur. This will allow reactive species, such as reactive oxygen and nitrogen species (RONS), to enter the cell and cause oxidative damage to intracellular macromolecules, such as DNA or proteins. On the other hand, upon increasing the cholesterol fraction of lipid bilayers, the cell membrane order increases, eventually reaching a certain threshold, from which cholesterol is able to protect the membrane against pore formation. This finding is crucial for cancer treatment by plasma technology, producing a large number of RONS, as well as for other cancer treatment methods that cause an increase in the concentration of extracellular RONS. Indeed, cancer cells contain less cholesterol than their healthy counterparts. Thus, they will be more vulnerable to the consequences of lipid peroxidation, eventually enabling the penetration of RONS into the interior of the cell, giving rise to oxidative stress, inducing pro-apoptotic factors. This provides, for the first time, molecular level insight why plasma can selectively treat cancer cells, while leaving their healthy counterparts undamaged, as is indeed experimentally demonstrated. |
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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 |
000366826900058 |
Publication Date |
2015-10-16 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
|
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ISSN |
2041-6520 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
8.668 |
Times cited |
106 |
Open Access |
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|
Notes |
The authors acknowledge nancial support from the Fund for Scientic Research (FWO) Flanders, grant number G012413N. The calculations were performed in part using the Turing HPC infrastructure of the CalcUA core facility of the Universiteit Antwerpen, a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government (department EWI) and the Universiteit Antwerpen. |
Approved |
Most recent IF: 8.668 |
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Call Number |
c:irua:131058 |
Serial |
3986 |
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Permanent link to this record |
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Author |
Ghasemitarei, M.; Yusupov, M.; Razzokov, J.; Shokri, B.; Bogaerts, A. |
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Title |
Effect of oxidative stress on cystine transportation by xC‾ antiporter |
Type |
A1 Journal article |
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Year |
2019 |
Publication |
Archives of biochemistry and biophysics |
Abbreviated Journal |
Arch Biochem Biophys |
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Volume |
674 |
Issue |
|
Pages |
108114 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
We performed computer simulations to investigate the effect of oxidation on the extracellular cystine (CYC) uptake by the xC− antiporter. The latter is important for killing of cancer cells. Specifically, applying molecular dynamics (MD) simulations we studied the transport of CYC across xCT, i.e., the light subunit of the xC− antiporter, in charge of bidirectional transport of CYC and glutamate. We considered the outward facing (OF) configuration of xCT, and to study the effect of oxidation, we modified the Cys327 residue, located in the vicinity of the extracellular milieu, to cysteic acid (CYO327). Our computational results showed that oxidation of Cys327 results in a free energy barrier for CYC translocation, thereby blocking the access of CYC to the substrate binding site of the OF system. The formation of the energy barrier was found to be due to the conformational changes in the channel. Analysis of the MD trajectories revealed that the reorganization of the side chains of the Tyr244 and CYO327 residues play a critical role in the OF channel blocking. Indeed, the calculated distance between Tyr244 and either Cys327 or CYO327 showed a narrowing of the channel after oxidation. The obtained free energy barrier for CYC translocation was found to be 33.9kJmol−1, indicating that oxidation of Cys327, by e.g., cold atmospheric plasma, is more effective in inhibiting the xC− antiporter than in the mutation of this amino acid to Ala (yielding a barrier of 32.4kJmol−1). The inhibition of the xC− antiporter may lead to Cys starvation in some cancer cells, eventually resulting in cancer cell death. |
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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 |
000525439700011 |
Publication Date |
2019-09-23 |
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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 |
0003-9861 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.165 |
Times cited |
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Open Access |
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Notes |
Ministry of Science, Research and Technology of Iran; University of Antwerp; Research Foundation − Flanders, 1200219N ; Universiteit Antwerpen; Hercules Foundation; Flemish Government; UA; M. G. acknowledges funding from the Ministry of Science, Research and Technology of Iran and from the University of Antwerp in Belgium. M. Y. gratefully acknowledges financial support from the Research Foundation − Flanders (FWO), grant number 1200219N. 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. Finally, we thank A. S. Mashayekh Esfehan and A. Mohseni for their important comments on the manuscript. |
Approved |
Most recent IF: 3.165 |
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Call Number |
PLASMANT @ plasmant @c:irua:163474 |
Serial |
5372 |
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Permanent link to this record |
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Author |
Leenaerts, O.; Partoens, B.; Peeters, F.M. |
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Title |
Hydrogenation of bilayer graphene and the formation of bilayer graphane from first principles |
Type |
A1 Journal article |
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Year |
2009 |
Publication |
Physical review : B : solid state |
Abbreviated Journal |
Phys Rev B |
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Volume |
80 |
Issue |
24 |
Pages |
245422,1-245422,6 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
We performed ab initio density-functional theory calculations to investigate the process of hydrogenation of a bilayer of graphene. 50% hydrogen coverage is possible in case that the hydrogen atoms are allowed to adsorb on both sides of the bilayer. In this case interlayer chemical bonding occurs which stabilizes the structure. At maximum coverage, a bilayer of graphane is formed which has properties that are similar to those of a single layer of graphane. |
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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 |
Lancaster, Pa |
Editor |
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Language |
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Wos |
000273229200126 |
Publication Date |
2009-12-21 |
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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 |
1098-0121;1550-235X; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.836 |
Times cited |
113 |
Open Access |
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Notes |
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Approved |
Most recent IF: 3.836; 2009 IF: 3.475 |
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Call Number |
UA @ lucian @ c:irua:80578 |
Serial |
1535 |
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Permanent link to this record |