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Records |
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Author |
Berdiyorov, G.; Harrabi, K.; Maneval, J.P.; Peeters, F.M. |
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Title |
Effect of pinning on the response of superconducting strips to an external pulsed current |
Type |
A1 Journal article |
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Year |
2015 |
Publication |
Superconductor science and technology |
Abbreviated Journal |
Supercond Sci Tech |
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Volume |
28 |
Issue |
28 |
Pages |
025004 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Using the anisotropic time-dependent Ginzburg-Landau theory we study the effect of ordered and disordered pinning on the time response of superconducting strips to an external current that switched on abruptly. The pinning centers result in a considerable delay of the response time of the system to such abrupt switching on of the current, whereas the output voltage is always larger when pinning is present. The resistive state in both cases are characterized either by dynamically stable phase-slip centers/lines or expanding in-time hot-spots, which are the main mechanisms for dissipation in current-carrying superconductors. We find that hot-spots are always initiated by the phase-slip state. However, the range of the applied current for the phase-slip state increases significantly when pinning is introduced. Qualitative changes are observed in the dynamics of the superconducting condensate in the presence of pinning. |
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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 |
Bristol |
Editor |
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Language |
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Wos |
000351046300010 |
Publication Date |
2014-12-31 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0953-2048;1361-6668; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.878 |
Times cited |
19 |
Open Access |
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|
Notes |
; This work was supported by EU Marie Curie (Project No: 253057), the Flemish Science Foundation (FWO-Vl) and King Fahd University of Petroleum and Minerals, Saudi Arabia, under the IN131034 DSR project. ; |
Approved |
Most recent IF: 2.878; 2015 IF: 2.325 |
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Call Number |
c:irua:125491 |
Serial |
829 |
Permanent link to this record |
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Author |
Felten, A.; Ghijsen, J.; Pireaux, J.-J.; Johnson, R.L.; Whelan, C.M.; Liang, D.; Van Tendeloo, G. |
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Title |
Effect of oxygen rf-plasma on electronic properties of CNTs |
Type |
A1 Journal article |
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Year |
2007 |
Publication |
Journal of physics: D: applied physics |
Abbreviated Journal |
J Phys D Appl Phys |
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Volume |
40 |
Issue |
23 |
Pages |
7379-7382 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
London |
Editor |
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Language |
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Wos |
000251797900029 |
Publication Date |
2007-11-17 |
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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 |
0022-3727;1361-6463; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.588 |
Times cited |
25 |
Open Access |
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|
Notes |
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Approved |
Most recent IF: 2.588; 2007 IF: 2.200 |
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Call Number |
UA @ lucian @ c:irua:67284 |
Serial |
828 |
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 |
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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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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 |
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 |
Permanent link to this record |
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Author |
Berdiyorov, G.R.; Savel'ev, S.; Kusmartsev, F.V.; Peeters, F.M. |
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Title |
Effect of ordered array of magnetic dots on the dynamics of Josephson vortices in stacked SNS Josephson junctions under DC and AC current |
Type |
A1 Journal article |
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Year |
2015 |
Publication |
European physical journal : B : condensed matter and complex systems |
Abbreviated Journal |
Eur Phys J B |
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Volume |
88 |
Issue |
88 |
Pages |
286 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
We use the anisotropic time-dependent Ginzburg-Landau theory to investigate the effect of a square array of out-of-plane magnetic dots on the dynamics of Josephson vortices (fluxons) in artificial stacks of superconducting-normal-superconducting (SNS) Josephson junctions in the presence of external DC and AC currents. Periodic pinning due to the magnetic dots distorts the triangular lattice of fluxons and results in the appearance of commensurability features in the current-voltage characteristics of the system. For the larger values of the magnetization, additional peaks appear in the voltage-time characteristics of the system due to the creation and annihilation of vortex-antivortex pairs. Peculiar changes in the response of the system to the applied current is found resulting in a “superradiant” vortex-flow state at large current values, where a rectangular lattice of moving vortices is formed. Synchronizing the motion of fluxons by adding a small ac component to the biasing dc current is realized. However, we found that synchronization becomes difficult for large magnetization of the dots due to the formation of vortex-antivortex pairs. |
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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 |
000363960900002 |
Publication Date |
2015-10-30 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1434-6028 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
1.461 |
Times cited |
1 |
Open Access |
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|
Notes |
; This work was supported by EU Marie Curie (Project No. 253057). ; |
Approved |
Most recent IF: 1.461; 2015 IF: 1.345 |
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Call Number |
UA @ lucian @ c:irua:129509 |
Serial |
4166 |
Permanent link to this record |
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Author |
Smits, M.; Vanpachtenbeke, F.; Horemans, B.; De Wael, K.; Hauchecorne, B.; Van Langenhove, H.; Demeestere, K.; Lenaerts, S. |
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Title |
Effect of operating and sampling conditions on the exhaust gas composition of small-scale power generators |
Type |
A1 Journal article |
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Year |
2012 |
Publication |
PLoS ONE |
Abbreviated Journal |
Plos One |
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Volume |
7 |
Issue |
3 |
Pages |
e32825-e32825,10 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Sustainable Energy, Air and Water Technology (DuEL) |
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Abstract |
Small stationary diesel engines, like in generator sets, have limited emission control measures and are therefore responsible for 44% of the particulate matter (PM) emissions in the United States. The diesel exhaust composition depends on operating conditions of the combustion engine. Furthermore, the measurements are influenced by the used sampling method. This study examines the effect of engine loading and exhaust gas dilution on the composition of small-scale power generators. These generators are used in different operating conditions than road-transport vehicles, resulting in different emission characteristics. Experimental data were obtained for gaseous volatile organic compounds (VOC) and PM mass concentration, elemental composition and nitrate content. The exhaust composition depends on load condition because of its effect on fuel consumption, engine wear and combustion temperature. Higher load conditions result in lower PM concentration and sharper edged particles with larger aerodynamic diameters. A positive correlation with load condition was found for K, Ca, Sr, Mn, Cu, Zn and Pb adsorbed on PM, elements that originate from lubricating oil or engine corrosion. The nitrate concentration decreases at higher load conditions, due to enhanced nitrate dissociation to gaseous NO at higher engine temperatures. Dilution on the other hand decreases PM and nitrate concentration and increases gaseous VOC and adsorbed metal content. In conclusion, these data show that operating and sampling conditions have a major effect on the exhaust gas composition of small-scale diesel generators. Therefore, care must be taken when designing new experiments or comparing literature results. |
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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 |
000303836500012 |
Publication Date |
2012-03-19 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1932-6203 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
|
Impact Factor |
2.806 |
Times cited |
5 |
Open Access |
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|
Notes |
; ; |
Approved |
Most recent IF: 2.806; 2012 IF: 3.730 |
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Call Number |
UA @ admin @ c:irua:96545 |
Serial |
5581 |
Permanent link to this record |
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Author |
Badalyan, S.M.; Peeters, F.M. |
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Title |
Effect of nonhomogenous dielectric background on the plasmon modes in graphene double-layer structures at finite temperatures |
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 |
19 |
Pages |
195444-195444,6 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
We have calculated the plasmon modes in graphene double layer structures at finite temperatures, taking into account the inhomogeneity of the dielectric background of the system. The effective dielectric function is obtained from the solution of the Poisson equation of a three-layer dielectric medium with graphene sheets located at the interfaces, separating the different materials. Due to the momentum dispersion of the effective dielectric function, the intra- and interlayer bare Coulomb interactions in the graphene double layer system acquires an additional momentum dependence-an effect that is of the order of the interlayer interaction itself. We show that the energies of the in-phase and out-of-phase plasmon modes are determined largely by different values of the spatially dependent effective dielectric function. The effect of the dielectric inhomogeneity increases with temperature, and even at high temperatures the energy shift induced by the dielectric inhomogeneity and temperature itself remains larger than the broadening of the plasmon energy dispersions due to the Landau damping. The obtained new features of the plasmon dispersions can be observed in frictional drag measurements and in inelastic light scattering and electron energy-loss spectroscopies. |
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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 |
000304394800011 |
Publication Date |
2012-05-23 |
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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 |
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 |
67 |
Open Access |
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Notes |
; We thank G. Vignale for useful discussions and acknowledge support from the Flemisch Science Foundation (FWO-Fl) and the Belgian Science Policy (BELSPO). ; |
Approved |
Most recent IF: 3.836; 2012 IF: 3.767 |
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Call Number |
UA @ lucian @ c:irua:98941 |
Serial |
826 |
Permanent link to this record |
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Author |
Khaydarov, R.T.; Beisinbaeva, H.B.; Sabitov, N.M.; Terentev, V.B.; Berdiyorov, G.R. |
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Title |
Effect of neutron irradiation on the characteristics of laser-produced plasma |
Type |
A1 Journal article |
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Year |
2010 |
Publication |
Nuclear fusion |
Abbreviated Journal |
Nucl Fusion |
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Volume |
50 |
Issue |
2 |
Pages |
025024,1-025024,5 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Using the mass-spectrometric method we studied the formation of multi-charged plasma ions during the interaction of laser radiation with solid targets irradiated by neutron beams. We found that structural defects, caused by the neutron irradiation, influence not only the efficiency of the process of material evaporation and emission of plasma, but also the ionization and recombination processes taking place at the initial stage of plasma formation and expansion. We also show the effect of the dose of neutron irradiation on the threshold of plasma formation from the surface of the target. |
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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 |
Vienna |
Editor |
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Language |
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Wos |
000275322200029 |
Publication Date |
2010-01-27 |
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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 |
0029-5515;1741-4326; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.307 |
Times cited |
3 |
Open Access |
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Notes |
; This work was supported by MINVIZ Uzbekistan and by IAEA (No 13738). G. R. B acknowledges support from FWO-Vlaanderen. ; |
Approved |
Most recent IF: 3.307; 2010 IF: 3.303 |
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Call Number |
UA @ lucian @ c:irua:81769 |
Serial |
825 |
Permanent link to this record |
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Author |
Kovács, A.; Yusupov, M.; Cornet, I.; Billen, P.; Neyts, E.C. |
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Title |
Effect of natural deep eutectic solvents of non-eutectic compositions on enzyme stability |
Type |
A1 Journal article |
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Year |
2022 |
Publication |
Journal Of Molecular Liquids |
Abbreviated Journal |
J Mol Liq |
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Volume |
366 |
Issue |
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Pages |
120180-17 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT); Biochemical Wastewater Valorization & Engineering (BioWaVE); Intelligence in PRocesses, Advanced Catalysts and Solvents (iPRACS) |
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Abstract |
Natural deep eutectic solvents (NADES) represent a green alternative to common organic solvents in the biochemical industry due to their benign behavior and tailorable properties, in particular as media for enzymatic reactions. However, to fully exploit their potential in enzymatic reactions, there is a need for a more fundamental understanding of how these neoteric solvents influence the course of these reac-tions. Thus, the aim of this study is to investigate the influence of NADES with various molar composi-tions on the stability and structure of enzymes, applying molecular dynamics simulations. This can help to better understand the effect of individual compounds of NADES, in addition to eutectic mixtures. More specifically, we simulate the behavior of Candida antarctica lipase B (CALB) enzyme in NADES com-posed of choline chloride with either urea, ethylene glycol or glycerol. Hereto, we monitor the NADES microstructure, the general stability of the enzyme and changes in the structure of its active sites and sur-face residues. Our simulations show that none of the studied NADES systems significantly disrupt the microstructure of the solvent or the stability of the CALB enzyme within the time scales of the simula-tions. The enzyme preserves its initial structure, size and intra-chain hydrogen bonds in all investigated compositions and, for the first time reported, also in NADES with increased hydrogen bond donating com-pound ratios. As the main novelty, our results indicate that, in addition to the composition, the molar ratio can be an additional variable to fine-tune the physicochemical properties of NADES without altering the enzyme characteristics. These findings could facilitate the development and application of task -tailored NADES media for biocatalytic processes. (c) 2022 Elsevier B.V. All rights reserved. |
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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 |
000865431800010 |
Publication Date |
2022-08-25 |
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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 |
0167-7322 |
ISBN |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
6 |
Times cited |
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Open Access |
Not_Open_Access |
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Notes |
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Approved |
Most recent IF: 6 |
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Call Number |
UA @ admin @ c:irua:191538 |
Serial |
7265 |
Permanent link to this record |
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Author |
Van Alphen, S.; Slaets, J.; Ceulemans, S.; Aghaei, M.; Snyders, R.; Bogaerts, A. |
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Title |
Effect of N2 on CO2-CH4 conversion in a gliding arc plasmatron: Can this major component in industrial emissions improve the energy efficiency? |
Type |
A1 Journal Article;Plasma-based CO2-CH4 conversion |
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Year |
2021 |
Publication |
Journal Of Co2 Utilization |
Abbreviated Journal |
J Co2 Util |
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Volume |
54 |
Issue |
|
Pages |
101767 |
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Keywords |
A1 Journal Article;Plasma-based CO2-CH4 conversion; Effect of N2; Plasma chemistry; Computational modelling; Gliding arc plasmatron; Plasma, laser ablation and surface modeling Antwerp (PLASMANT) ; |
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Abstract |
Plasma-based CO2 and CH4 conversion is gaining increasing interest, and a great portion of research is dedicated to adapting the process to actual industrial conditions. In an industrial context, the process needs to be able to process N2 admixtures, since most industrial gas emissions contain significant amounts of N2, and gas separations are financially costly. In this paper we therefore investigate the effect of N2 on the CO2 and CH4 conversion in a gliding arc plasmatron reactor. The addition of 20 % N2 reduces the energy cost of the conversion process by 21 % compared to a pure CO2/CH4 mixture, from 2.9 down to 2.2 eV/molec (or from 11.5 to 8.7 kJ/L), yielding a CO2 and CH4 (absolute) conversion of 28.6 and 35.9 % and an energy efficiency of 58 %. These results are among the best reported in literature for plasma-based DRM, demonstrating the benefits of N2 present in the mix. Compared to DRM results in different plasma reactor types, a low energy cost was achieved. To understand the underlying mechanisms of N2 addition, we developed a combination of four different computational models, which reveal that the beneficial effect of N2 addition is attributed to (i) a rise in the electron density (increasing the plasma conductivity, and therefore reducing the plasma power needed to sustain the plasma, which reduces the energy cost), as well as (ii) a rise in the gas temperature, which accelerates the CO2 and CH4 conversion reactions. |
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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 |
000715057300005 |
Publication Date |
2021-10-28 |
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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 |
2212-9820 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
4.292 |
Times cited |
|
Open Access |
OpenAccess |
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Notes |
This research was supported by the European Research Council (ERC) under the European Union’s Horizon 2020 research and innova tion programme (grant agreement No 810182 – SCOPE ERC Synergy project), the Excellence of Science FWO-FNRS project (FWO grant ID GoF9618n, EOS ID 30505023), 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. |
Approved |
Most recent IF: 4.292 |
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Call Number |
PLASMANT @ plasmant @c:irua:184044 |
Serial |
6827 |
Permanent link to this record |
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Author |
Conti, S.; Perali, A.; Peeters, F.M.; Neilson, D. |
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Title |
Effect of mismatched electron-hole effective masses on superfluidity in double layer solid-state systems |
Type |
A1 Journal article |
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Year |
2021 |
Publication |
Condensed Matter |
Abbreviated Journal |
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Volume |
6 |
Issue |
2 |
Pages |
14 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Superfluidity has been predicted and now observed in a number of different electron-hole double-layer semiconductor heterostructures. In some of the heterostructures, such as GaAs and Ge-Si electron-hole double quantum wells, there is a strong mismatch between the electron and hole effective masses. We systematically investigate the sensitivity to unequal masses of the superfluid properties and the self-consistent screening of the electron-hole pairing interaction. We find that the superfluid properties are insensitive to mass imbalance in the low density BEC regime of strongly-coupled boson-like electron-hole pairs. At higher densities, in the BEC-BCS crossover regime of fermionic pairs, we find that mass imbalance between electrons and holes weakens the superfluidity and expands the density range for the BEC-BCS crossover regime. This permits screening to kill the superfluid at a lower density than for equal masses. |
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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 |
000665155800001 |
Publication Date |
2021-04-07 |
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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 |
2410-3896 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
|
Times cited |
1 |
Open Access |
OpenAccess |
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Notes |
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Approved |
Most recent IF: NA |
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Call Number |
UA @ admin @ c:irua:179635 |
Serial |
6982 |
Permanent link to this record |
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Author |
Batuk, D.; Batuk, M.; Abakumov, A.M.; Tsirlin, A.A.; McCammon, C.M.; Dubrovinsky, L.; Hadermann, J. |
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Title |
Effect of lone-electron-pair cations on the orientation of crystallographic shear planes in anion-deficient perovskites |
Type |
A1 Journal article |
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Year |
2013 |
Publication |
Inorganic chemistry |
Abbreviated Journal |
Inorg Chem |
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Volume |
52 |
Issue |
17 |
Pages |
10009-10020 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
Factors affecting the structure and orientation of the crystallographic shear (CS) planes in anion-deficient perovskites are investigated using the (Pb1−zSrz)1−xFe1+xO3−y perovskites as a model system. The orientation of the CS planes in the system varies unevenly with z. A comparison of the structures with different CS planes revels that the orientation of the CS planes is governed mainly by the stereochemical activity of the lone-electron-pair cations inside the perovskite blocks. |
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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 |
Easton, Pa |
Editor |
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Language |
|
Wos |
000326129000037 |
Publication Date |
2013-08-22 |
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Series Editor |
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Series Title |
|
Abbreviated Series Title |
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|
Series Volume |
|
Series Issue |
|
Edition |
|
|
ISSN |
0020-1669;1520-510X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
Impact Factor |
4.857 |
Times cited |
11 |
Open Access |
|
|
Notes |
Fwo |
Approved |
Most recent IF: 4.857; 2013 IF: 4.794 |
|
Call Number |
UA @ lucian @ c:irua:111394 |
Serial |
822 |
Permanent link to this record |
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Author |
Oliveira, M.C.; Cordeiro, R.M.; Bogaerts, A. |
|
Title |
Effect of lipid oxidation on the channel properties of Cx26 hemichannels : a molecular dynamics study |
Type |
A1 Journal article |
|
Year |
2023 |
Publication |
Archives of biochemistry and biophysics |
Abbreviated Journal |
|
|
Volume |
746 |
Issue |
|
Pages |
109741-12 |
|
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
|
Abstract |
Intercellular communication plays a crucial role in cancer, as well as other diseases, such as inflammation, tissue degeneration, and neurological disorders. One of the proteins responsible for this, are connexins (Cxs), which come together to form a hemichannel. When two hemichannels of opposite cells interact with each other, they form a gap junction (GJ) channel, connecting the intracellular space of these cells. They allow the passage of ions, reactive oxygen and nitrogen species (RONS), and signaling molecules from the interior of one cell to another cell, thus playing an essential role in cell growth, differentiation, and homeostasis. The importance of GJs for disease induction and therapy development is becoming more appreciated, especially in the context of oncology. Studies have shown that one of the mechanisms to control the formation and disruption of GJs is mediated by lipid oxidation pathways, but the underlying mechanisms are not well understood. In this study, we performed atomistic molecular dynamics simulations to evaluate how lipid oxidation influences the channel properties of Cx26 hemichannels, such as channel gating and permeability. Our results demonstrate that the Cx26 hemichannel is more compact in the presence of oxidized lipids, decreasing its pore diameter at the extracellular side and increasing it at the amino terminus domains, respectively. The permeability of the Cx26 hemichannel for water and RONS molecules is higher in the presence of oxidized lipids. The latter may facilitate the intracellular accumulation of RONS, possibly increasing oxidative stress in cells. A better understanding of this process will help to enhance the efficacy of oxidative stress-based cancer treatments. |
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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 |
001079100300001 |
Publication Date |
2023-09-07 |
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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 |
0003-9861; 1096-0384 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
|
Impact Factor |
3.9 |
Times cited |
|
Open Access |
|
|
Notes |
|
Approved |
Most recent IF: 3.9; 2023 IF: 3.165 |
|
Call Number |
UA @ admin @ c:irua:200282 |
Serial |
9028 |
Permanent link to this record |
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Author |
Khaydarov, R.T.; Beisinbaeva, H.B.; Sabitov, M.M.; Kalal, M.; Berdiyorov, G.R. |
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Title |
Effect of light gas atom inclusions on the characteristics of laser-produced plasma ions |
Type |
A1 Journal article |
|
Year |
2011 |
Publication |
Nuclear fusion |
Abbreviated Journal |
Nucl Fusion |
|
Volume |
51 |
Issue |
10 |
Pages |
103041,1-103041,3 |
|
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
Abstract |
Using the mass-spectrometric method we studied the effect of light gas inclusions on the formation process of multi-component laser-induced plasma ions. Masscharge characteristics, as well as energy and spatial distribution of the plasma ions are analysed. We found that both the energy and maximal charge of heavy component ions decrease due to the presence of gas atoms in the solid target surface layer. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Vienna |
Editor |
|
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Language |
|
Wos |
000296603800043 |
Publication Date |
2011-09-23 |
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Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
|
ISSN |
0029-5515;1741-4326; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
Impact Factor |
3.307 |
Times cited |
1 |
Open Access |
|
|
Notes |
; ; |
Approved |
Most recent IF: 3.307; 2011 IF: 4.090 |
|
Call Number |
UA @ lucian @ c:irua:93761 |
Serial |
821 |
Permanent link to this record |
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Author |
Tadić, M.; Peeters, F.M.; Janssens, K.L. |
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Title |
Effect of isotropic versus anisotropic elasticity on the electronic structure of cylindrical InP/In0.49Ga0.51P self-assembled quantum dots |
Type |
A1 Journal article |
|
Year |
2002 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
|
Volume |
65 |
Issue |
16 |
Pages |
165333-13 |
|
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
Abstract |
The electronic structure of disk-shaped InP/InGaP self-assembled quantum dots is calculated within the effective-mass theory. The strain-dependent 6x6 multiband Hamiltonian for the valence band is simplified into an axially symmetric form. Both the continuum mechanical model, discretized by finite elements, and the isotropic model are used to calculate the strain distribution and their results are critically compared. The dependence of the electron and the hole energy levels on the dimensions of the quantum dot is investigated. We found that both the electron and hole energies are underestimated if the strain distribution is calculated by the isotropic elasticity theory. The agreement between the electron energies for the two approaches is better for thinner quantum dots. The heavy holes are confined inside the quantum dot, while the light holes are located outside the disk, but confined by the strain field near the edge of the disk periphery. We found that the (h) over bar /2 hole ground state crosses the 3 (h) over bar /2 ground state when the height of the quantum dot increases and becomes the ground state for sufficiently thick quantum disks. The higher hole levels exhibit both crossings between the states of the different parity and anticrossings between the states of the same parity. |
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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 |
000175325000097 |
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 |
|
Series Issue |
|
Edition |
|
|
ISSN |
0163-1829;1095-3795; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
Impact Factor |
3.836 |
Times cited |
72 |
Open Access |
|
|
Notes |
|
Approved |
Most recent IF: 3.836; 2002 IF: NA |
|
Call Number |
UA @ lucian @ c:irua:103361 |
Serial |
819 |
Permanent link to this record |
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Author |
Neyts, E.; Bogaerts, A.; van de Sanden, M.C.M. |
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Title |
Effect of hydrogen on the growth of thin hydrogenated amorphous carbon films from thermal energy radicals |
Type |
A1 Journal article |
|
Year |
2006 |
Publication |
Applied physics letters |
Abbreviated Journal |
Appl Phys Lett |
|
Volume |
88 |
Issue |
|
Pages |
141922 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
|
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Language |
|
Wos |
000236612000037 |
Publication Date |
2006-04-06 |
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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 |
0003-6951; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
Impact Factor |
3.411 |
Times cited |
35 |
Open Access |
|
|
Notes |
|
Approved |
Most recent IF: 3.411; 2006 IF: 3.977 |
|
Call Number |
UA @ lucian @ c:irua:57642 |
Serial |
817 |
Permanent link to this record |
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Author |
Kalitzova, M.; Vlakhov, E.; Marinov, Y.; Gesheva, K.; Ignatova, V.A.; Lebedev, O.; Muntele, C.; Gijbels, R. |
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Title |
Effect of high-frequency electromagnetic field on Te+-implanted (001) Si</tex> |
Type |
A1 Journal article |
|
Year |
2004 |
Publication |
Vacuum: the international journal and abstracting service for vacuum science and technology |
Abbreviated Journal |
Vacuum |
|
Volume |
76 |
Issue |
2-3 |
Pages |
325-328 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
|
Abstract |
The analysis of high-frequency electromagnetic field (HFEMF) effects on the microstructure and electrical properties of Te+ implanted (0 0 1) Si is reported. Cross-sectional high-resolution transmission electron microscopy (XHRTEM) demonstrates the formation of Te nanoclusters (NCs) embedded in the Si layer amorphized by implantation (a-Si) at fluences greater than or equal to 1 x 10(16) cm(-2). Post-implantation treatment with 0.45 MHz HFEMF leads to enlargement of Te NCs, their diffusion and accumulation at the a-Si surface and formation of laterally connected extended tellurium structures above the percolation threshold, appearing at an ion fluence of 1 x 10(17) cm(-2). AC electrical conductivity measurements show nearly four orders of magnitude decrease of impedance resistivity in this case, which is in good agreement with the results of our structural studies. The results obtained are discussed in terms of the two-phase isotropic spinodal structure. (C) 2004 Elsevier Ltd. All rights reserved. |
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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 |
000224890100048 |
Publication Date |
2004-08-21 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
|
ISSN |
0042-207X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
Impact Factor |
1.53 |
Times cited |
2 |
Open Access |
|
|
Notes |
|
Approved |
Most recent IF: 1.53; 2004 IF: 0.902 |
|
Call Number |
UA @ lucian @ c:irua:95105 |
Serial |
814 |
Permanent link to this record |
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Author |
de Backer, J.; Vos, W.; Van Holsbeke, C.; Vinchurkar, S.; Claes, R.; Parizel, P.M.; de Backer, W. |
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Title |
Effect of high-dose N-acetylcysteine on airway geometry, inflammation, and oxidative stress in COPD patients |
Type |
A1 Journal article |
|
Year |
2013 |
Publication |
International Journal Of Chronic Obstructive Pulmonary Disease |
Abbreviated Journal |
Int J Chronic Obstr |
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Volume |
8 |
Issue |
|
Pages |
569-579 |
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Keywords |
A1 Journal article; Biophysics and Biomedical Physics; Condensed Matter Theory (CMT); Antwerp Surgical Training, Anatomy and Research Centre (ASTARC); Laboratory Experimental Medicine and Pediatrics (LEMP) |
|
Abstract |
Background: Previous studies have demonstrated the potential beneficial effect of N-acetylcysteine (NAC) in chronic obstructive pulmonary disease (COPD). However, the required dose and responder phenotype remain unclear. The current study investigated the effect of high-dose NAC on airway geometry, inflammation, and oxidative stress in COPD patients. Novel functional respiratory imaging methods combining multislice computed tomography images and computer-based flow simulations were used with high sensitivity for detecting changes induced by the therapy. Methods: Twelve patients with Global Initiative for Chronic Obstructive Lung Disease stage II COPD were randomized to receive NAC 1800 mg or placebo daily for 3 months and were then crossed over to the alternative treatment for a further 3 months. Results: Significant correlations were found between image-based resistance values and glutathione levels after treatment with NAC (P = 0.011) and glutathione peroxidase at baseline (P = 0.036). Image-based resistance values appeared to be a good predictor for glutathione peroxidase levels after NAC (P = 0.02), changes in glutathione peroxidase levels (P = 0.035), and reduction in lobar functional residual capacity levels (P = 0.00084). In the limited set of responders to NAC therapy, the changes in airway resistance were in the same order as changes induced by budesonide/formoterol. Conclusion: A combination of glutathione, glutathione peroxidase, and imaging parameters could potentially be used to phenotype COPD patients who would benefit from addition of NAC to their current therapy. The findings of this small pilot study need to be confirmed in a larger pivotal trial. |
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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 |
000327537300001 |
Publication Date |
2013-11-21 |
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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 |
|
Edition |
|
|
ISSN |
1178-2005; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
Impact Factor |
3.157 |
Times cited |
21 |
Open Access |
|
|
Notes |
; JDB is a founder/shareholder of FluidDA NV, Kontich, Belgium. WV, SV, and CVH are employed by FluidDA NV, and WDB is the director of FluidDA NV. PMP and RC have no conflicts of interest to report. The study was supported by Zambon SpA, Bresso, Italy. ; |
Approved |
Most recent IF: 3.157; 2013 IF: NA |
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Call Number |
UA @ lucian @ c:irua:112799 |
Serial |
813 |
Permanent link to this record |
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Author |
Comrie, C.M.; Ahmed, A.; Smeets, D.; Demeulemeester, J.; Turner, S.; Van Tendeloo, G.; Detavernier, C.; Vantomme, A. |
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Title |
Effect of high temperature deposition on CoSi2 phase formation |
Type |
A1 Journal article |
|
Year |
2013 |
Publication |
Journal of applied physics |
Abbreviated Journal |
J Appl Phys |
|
Volume |
113 |
Issue |
23 |
Pages |
234902-234908 |
|
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
|
Abstract |
This paper discusses the nucleation behaviour of the CoSi to CoSi2 transformation from cobalt silicide thin films grown by deposition at elevated substrate temperatures ranging from 375 °C to 600 °C. A combination of channelling, real-time Rutherford backscattering spectrometry, real-time x-ray diffraction, and transmission electron microscopy was used to investigate the effect of the deposition temperature on the subsequent formation temperature of CoSi2, its growth behaviour, and the epitaxial quality of the CoSi2 thus formed. The temperature at which deposition took place was observed to exert a significant and systematic influence on both the formation temperature of CoSi2 and its growth mechanism. CoSi films grown at the lowest temperatures were found to increase the CoSi2 nucleation temperature above that of CoSi2 grown by conventional solid phase reaction, whereas the higher deposition temperatures reduced the nucleation temperature significantly. In addition, a systematic change in growth mechanism of the subsequent CoSi2 growth occurs as a function of deposition temperature. First, the CoSi2 growth rate from films grown at the lower reactive deposition temperatures is substantially lower than that grown at higher reactive deposition temperatures, even though the onset of growth occurs at a higher temperature, Second, for deposition temperatures below 450 °C, the growth appears columnar, indicating nucleation controlled growth. Elevated deposition temperatures, on the other hand, render the CoSi2 formation process layer-by-layer which indicates enhanced nucleation of the CoSi2 and diffusion controlled growth. Our results further indicate that this observed trend is most likely related to stress and changes in microstructure introduced during reactive deposition of the CoSi film. The deposition temperature therefore provides a handle to tune the CoSi2 growth mechanism. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
|
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Language |
|
Wos |
000321011700077 |
Publication Date |
2013-06-17 |
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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 |
0021-8979; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
Impact Factor |
2.068 |
Times cited |
2 |
Open Access |
|
|
Notes |
Fwo; Countatoms |
Approved |
Most recent IF: 2.068; 2013 IF: 2.185 |
|
Call Number |
UA @ lucian @ c:irua:109266 |
Serial |
815 |
Permanent link to this record |
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|
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Author |
Bogaerts, A.; Grozeva, M. |
|
Title |
Effect of helium/argon gas ratio in a He-Ar-Cu+ IR hollow-cathode discharge laser : modeling study and comparison with experiments |
Type |
A1 Journal article |
|
Year |
2003 |
Publication |
Applied physics B : lasers and optics |
Abbreviated Journal |
Appl Phys B-Lasers O |
|
Volume |
76 |
Issue |
3 |
Pages |
299-306 |
|
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
|
Abstract |
The He-Ar-Cu+ IR laser operates in a hollow-cathode discharge, typically in a mixture of helium with a few-% Ar. The population inversion of the Cu+ ion levels, responsible for laser action, is attributed to asymmetric charge transfer between He+ ions and sputtered Cu atoms. The Ar gas is added to promote sputtering of the Cu cathode. In this paper, a hybrid modeling network consisting of several different models for the various plasma species present in a He-Ar-Cu hollow-cathode discharge is applied to investigate the effect of Ar concentration in the gas mixture on the discharge behavior, and to find the optimum He/Ar gas ratio for laser operation. It is found that the densities of electrons, Ar+ ions, Ar-m* metastable atoms, sputtered Cu atoms and Cu+ ions increase upon the addition of more Ar gas, whereas the densities of He+ ions, He-2(+) ions and He-m* metastable atoms drop considerably. The product of the calculated Cu atom and He+ ion densities, which determines the production rate of the upper laser levels, and hence probably also the laser output power, is found to reach a maximum around 1-5% Ar addition. This calculation result is compared to experimental measurements, and reasonable agreement has been reached. |
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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 |
|
Wos |
000182758000017 |
Publication Date |
2004-03-19 |
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
|
ISSN |
0946-2171;1432-0649; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
Impact Factor |
1.696 |
Times cited |
6 |
Open Access |
|
|
Notes |
|
Approved |
Most recent IF: 1.696; 2003 IF: 2.012 |
|
Call Number |
UA @ lucian @ c:irua:104125 |
Serial |
812 |
Permanent link to this record |
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Author |
Kuznetsov, A.S.; Cuong, N.T.; Tikhomirov, V.K.; Jivanescu, M.; Stesmans, A.; Chibotaru, L.F.; Velázquez, J.J.; Rodríguez, V.D.; Kirilenko, D.; Van Tendeloo, G.; Moshchalkov, V.V. |
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Title |
Effect of heat-treatment on luminescence and structure of Ag nanoclusters doped oxyfluoride glasses and implication for fiber drawing |
Type |
A1 Journal article |
|
Year |
2012 |
Publication |
Optical materials |
Abbreviated Journal |
Opt Mater |
|
Volume |
34 |
Issue |
4 |
Pages |
616-621 |
|
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
|
Abstract |
The effect of heat treatment on the structure and luminescence of Ag nanoclusters doped oxyfluoride glasses was studied and the implication for drawing the corresponding fibers doped with luminescent Ag nanoclusters has been proposed. The heat treatment results, first, in condensation of the Ag nanoclusters into larger Ag nanoparticles and loss of Ag luminescence, and further heat treatment results in precipitation of a luminescent-loss nano- and microcrystalline Ag phases onto the surface of the glass. Thus, the oxyfluoride fiber doped with luminescent Ag nanoclusters was pulled from the viscous glass melt and its attenuation loss was 0.19 dB/cm in the red part of the spectrum; i.e. near to the maximum of Ag nanoclusters luminescence band. The nucleation centers for the Ag nanoclusters in oxyfluoride glasses have been suggested to be the fluorine vacancies and their nanoclusters. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
|
Place of Publication |
Amsterdam |
Editor |
|
|
Language |
|
Wos |
000300124500006 |
Publication Date |
2011-10-18 |
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
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Series Volume |
|
Series Issue |
|
Edition |
|
|
ISSN |
0925-3467; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
Impact Factor |
2.238 |
Times cited |
25 |
Open Access |
|
|
Notes |
Methusalem |
Approved |
Most recent IF: 2.238; 2012 IF: 1.918 |
|
Call Number |
UA @ lucian @ c:irua:93632 |
Serial |
811 |
Permanent link to this record |
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|
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Author |
Yusupov, M.; Wende, K.; Kupsch, S.; Neyts, E.C.; Reuter, S.; Bogaerts, A. |
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Title |
Effect of head group and lipid tail oxidation in the cell membrane revealed through integrated simulations and experiments |
Type |
A1 Journal article |
|
Year |
2017 |
Publication |
Scientific reports |
Abbreviated Journal |
Sci Rep-Uk |
|
Volume |
7 |
Issue |
7 |
Pages |
5761 |
|
Keywords |
A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
|
Abstract |
We report on multi-level atomistic simulations for the interaction of reactive oxygen species (ROS) with the head groups of the phospholipid bilayer, and the subsequent effect of head group and lipid tail oxidation on the structural and dynamic properties of the cell membrane. Our simulations are validated by experiments using a cold atmospheric plasma as external ROS source. We found that plasma treatment leads to a slight initial rise in membrane rigidity, followed by a strong and persistent increase in fluidity, indicating a drop in lipid order. The latter is also revealed by our simulations. This study is important for cancer treatment by therapies producing (extracellular) ROS, such as plasma treatment. These ROS will interact with the cell membrane, first oxidizing the head groups, followed by the lipid tails. A drop in lipid order might allow them to penetrate into the cell interior (e.g., through pores created due to oxidation of the lipid tails) and cause intracellular oxidative damage, eventually leading to cell death. This work in general elucidates the underlying mechanisms of ROS interaction with the cell membrane at the atomic level. |
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Address |
|
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Corporate Author |
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Thesis |
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Publisher |
|
Place of Publication |
|
Editor |
|
|
Language |
|
Wos |
000405746500072 |
Publication Date |
2017-07-12 |
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
ISSN |
2045-2322 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
Impact Factor |
4.259 |
Times cited |
27 |
Open Access |
OpenAccess |
|
Notes |
M.Y. gratefully acknowledges financial support from the Research Foundation – Flanders (FWO), grant number 1200216 N. The computational work was carried out using the Turing HPC infrastructure at the CalcUA core facility of the Universiteit Antwerpen (UA), a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government (department EWI) and the UA. S.R. and S.K. acknowledge funding by the BMBF (FKZ: 03Z2DN12). S.R. acknowledges funding by the Ministry of Education, Science and Culture of the State of Mecklenburg-Vorpommern (AU 15001). The authors thank M. Hammer for the support and discussion in the biophysical studies and J. Van der Paal for the interesting discussions. |
Approved |
Most recent IF: 4.259 |
|
Call Number |
PLASMANT @ plasmant @ c:irua:144627 |
Serial |
4630 |
Permanent link to this record |
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|
|
|
Author |
Berdiyorov, G.R.; Peeters, F.M.; Hamoudi, H. |
|
Title |
Effect of halogenation on the electronic transport properties of aromatic and alkanethiolate molecules |
Type |
A1 Journal article |
|
Year |
2022 |
Publication |
Physica. E: Low-dimensional systems and nanostructures |
Abbreviated Journal |
Physica E |
|
Volume |
144 |
Issue |
|
Pages |
115428-6 |
|
Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
|
Abstract |
Quantum transport calculations are conducted using nonequilibrium Green's functional formalism to study the effect of halogenation on the electronic transport properties of aromatic S-(C6H5)(2)X and alkanethiolate S-(CH2)(11)X molecules (with X = H, F, Cl, Br, or I) sandwiched between gold electrodes. In terms of conductance, both molecules show the same dependence on the halogen terminal groups despite their different electronic nature. For example, fluorination results in a reduction of the current by almost an order of magnitude, whereas iodine substitution leads to larger current as compared to the reference system (i.e. hydrogen termination). Regarding the asymmetry in the current-voltage characteristics, halogenation reduces the rectification level for the aromatic molecule with the smallest asymmetry for iodine termination. However, in the case of alkanethiolate molecule, halogen substitution increases the current rectification except for fluorination. A physical explanation of these results is obtained from the analysis of the behavior of the density of states, transmission spectra and transmission eigenstates. These findings are of practical importance in exploring the potential of halogenation for creating functional molecular self-assemblies on metallic substrates. |
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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 |
000857051700007 |
Publication Date |
2022-07-20 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1386-9477 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.3 |
Times cited |
1 |
Open Access |
Not_Open_Access |
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Notes |
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Approved |
Most recent IF: 3.3 |
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Call Number |
UA @ admin @ c:irua:191500 |
Serial |
7148 |
Permanent link to this record |
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Author |
Berdiyorov, G.R.; El-Mellouhi, F.; Madjet, M.E.; Alharbi, F.H.; Peeters, F.M.; Kais, S. |
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Title |
Effect of halide-mixing on the electronic transport properties of organometallic perovskites |
Type |
A1 Journal article |
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Year |
2016 |
Publication |
Solar energy materials and solar cells
T2 – 2nd International Renewable and Sustainable Energy Conference (IRSEC), OCT 17-19, 2014, Ouarzazate, MOROCCO |
Abbreviated Journal |
Sol Energ Mat Sol C |
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Volume |
148 |
Issue |
148 |
Pages |
2-10 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
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Abstract |
Using density-functional theory in combination with the nonequilibrium Green's function formalism, we study the effect of iodide/chloride and iodide/bromide mixing on the electronic transport in lead based organometallic perovskite CH3NH3PbI3, which is known to be an effective tool to tune the electronic and optical properties of such materials. We found that depending on the level and position of the halide mixing, the electronic transport can be increased by more than a factor of 4 for a given voltage biasing. The largest current is observed for small concentration of bromide substitutions located at the equatorial sites. However, full halide substitution has a negative effect on the transport properties of this material: the current drops by an order of magnitude for both CH3NH3PbCl3 and CH3NH3PbBr3 samples. (C) 2015 Elsevier B.V. All rights reserved. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
Elsevier science bv |
Place of Publication |
Amsterdam |
Editor |
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Language |
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Wos |
000371944500002 |
Publication Date |
2015-12-18 |
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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 |
0927-0248 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
4.784 |
Times cited |
23 |
Open Access |
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Notes |
; ; |
Approved |
Most recent IF: 4.784 |
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Call Number |
UA @ lucian @ c:irua:133150 |
Serial |
4165 |
Permanent link to this record |
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Author |
Jacobs, K.; van Daele, B.; Leys, M.; Moerman, I.; Van Tendeloo, G. |
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Title |
Effect of growth interrupt and growth rate on MOVPE-grown InGaN/GaN MQW structures |
Type |
A1 Journal article |
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Year |
2003 |
Publication |
Journal of crystal growth |
Abbreviated Journal |
J Cryst Growth |
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Volume |
248 |
Issue |
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Pages |
498-502 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Amsterdam |
Editor |
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Language |
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Wos |
000180446900091 |
Publication Date |
2002-12-28 |
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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 |
0022-0248; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
1.751 |
Times cited |
14 |
Open Access |
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|
Notes |
was dubbel; dubbel eruit gehaald |
Approved |
Most recent IF: 1.751; 2003 IF: 1.414 |
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Call Number |
UA @ lucian @ c:irua:54785 |
Serial |
810 |
Permanent link to this record |
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Author |
Neek-Amal, M.; Peeters, F.M. |
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Title |
Effect of grain boundary on the buckling of graphene nanoribbons |
Type |
A1 Journal article |
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Year |
2012 |
Publication |
Applied physics letters |
Abbreviated Journal |
Appl Phys Lett |
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Volume |
100 |
Issue |
10 |
Pages |
101905-101905,4 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
The buckling of graphene nano-ribbons containing a grain boundary is studied using atomistic simulations where free and supported boundary conditions are invoked. We consider the buckling transition of two kinds of grain boundaries with special symmetry. When graphene contains a large angle grain boundary with theta = 21.8 degrees, the buckling strains are larger than those of perfect graphene when the ribbons with free (supported) boundary condition are subjected to compressive tension parallel (perpendicular) to the grain boundary. This is opposite for the results of theta = 32.2 degrees. The shape of the deformations of the buckled graphene nanoribbons depends on the boundary conditions, the presence of the particular used grain boundaries, and the direction of applied in-plane compressive tension. (C) 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.3692573] |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
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Language |
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Wos |
000301655500021 |
Publication Date |
2012-03-06 |
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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 |
0003-6951; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.411 |
Times cited |
18 |
Open Access |
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Notes |
; This work was supported by the Flemish Science Foundation (FWO-Vl) and the Belgian Science Policy (IAP). ; |
Approved |
Most recent IF: 3.411; 2012 IF: 3.794 |
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Call Number |
UA @ lucian @ c:irua:97794 |
Serial |
809 |
Permanent link to this record |
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Author |
Matnazarova, S.; Khalilov, U.; Yusupov, M. |
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Title |
Effect of endohedral nickel atoms on the hydrophilicity of carbon nanotubes |
Type |
A1 Journal article |
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Year |
2023 |
Publication |
Molecular simulation |
Abbreviated Journal |
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Volume |
49 |
Issue |
17 |
Pages |
1575-1581 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
Carbon nanotubes (CNTs) have been successfully used in biomedicine, including cancer therapy, due to their unique physico-chemical properties. Because pristine CNTs exhibit hydrophobic behaviour, they can have a cytotoxic effect on cells, which limits their practical use in biomedicine. The toxicity of CNTs can be reduced by adding water-soluble functional radicals to their surface, i.e. by increasing their hydrophilicity. Another possibility for increasing the hydrophilicity of CNTs is probably filling them with endohedral metal atoms, which has not yet been studied. Thus, in this study, we use computer simulations to investigate the combined effect of endohedral nickel atoms and functional groups on the hydrophilicity of CNTs. Our simulation results show that the introduction of endohedral nickel atoms into CNTs increases their binding energy with functional groups. We also find that the addition of functional groups to the surface of CNT, along with filling it with endohedral nickel atoms, leads to an increase in the dipole moment of the CNT as well as its interaction energy with water, thereby increasing the hydrophilicity of the CNT and, consequently, its solubility in water. This, in turn, can lead to a decrease in CNT toxicity. |
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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 |
001059544800001 |
Publication Date |
2023-09-06 |
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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 |
0892-7022 |
ISBN |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
2.1 |
Times cited |
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Open Access |
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Notes |
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Approved |
Most recent IF: 2.1; 2023 IF: 1.254 |
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Call Number |
UA @ admin @ c:irua:199261 |
Serial |
9027 |
Permanent link to this record |
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Author |
Neyts, E.C.; Bal, K.M. |
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Title |
Effect of electric fields on plasma catalytic hydrocarbon oxidation from atomistic simulations |
Type |
A1 Journal article |
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Year |
2017 |
Publication |
Plasma processes and polymers |
Abbreviated Journal |
Plasma Process Polym |
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Volume |
14 |
Issue |
6 |
Pages |
e1600158 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
The catalytic oxidative dehydrogenation of hydrocarbons is an industrially important process, in which selectivity is a key issue. We here investigate the conversion of methanol to formaldehyde on a vanadia surface employing long timescale simulations, reaching a time scale of seconds. In particular, we compare the thermal process to the case where an additional external electric field is applied, as would be the case in a direct plasma-catalysis setup. We find that the electric field influences the retention time of the molecules at the catalyst surface. These simulations provide an atomic scale insight in the thermal catalytic oxidative dehydrogenation process, and in how an external electric field may affect this process. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Weinheim |
Editor |
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Language |
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Wos |
000403699900013 |
Publication Date |
2016-11-08 |
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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 |
1612-8850 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.846 |
Times cited |
2 |
Open Access |
Not_Open_Access |
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Notes |
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Approved |
Most recent IF: 2.846 |
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Call Number |
UA @ lucian @ c:irua:144210 |
Serial |
4647 |
Permanent link to this record |
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Author |
Bafekry, A.; Stampfl, C.; Naseri, M.; Fadlallah, M.M.; Faraji, M.; Ghergherehchi, M.; Gogova, D.; Feghhi, S.A.H. |
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Title |
Effect of electric field and vertical strain on the electro-optical properties of the MoSi2N4 bilayer : a first-principles calculation |
Type |
A1 Journal article |
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Year |
2021 |
Publication |
Journal Of Applied Physics |
Abbreviated Journal |
J Appl Phys |
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Volume |
129 |
Issue |
15 |
Pages |
155103 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Recently, a two-dimensional (2D) MoSi 2N 4 (MSN) structure has been successfully synthesized [Hong et al., Science 369(6504), 670-674 (2020)]. Motivated by this result, we investigate the structural, electronic, and optical properties of MSN monolayer (MSN-1L) and bilayer (MSN-2L) under the applied electric field (E-field) and strain using density functional theory calculations. We find that the MSN-2L is a semiconductor with an indirect bandgap of 1.60 (1.80)eV using Perdew-Burke-Ernzerhof (HSE06). The bandgap of MSN-2L decreases as the E-field increases from 0.1 to 0.6V/angstrom and for larger E-field up to 1.0V/angstrom the bilayer becomes metallic. As the vertical strain increases, the bandgap decreases; more interestingly, a semiconductor to a metal phase transition is observed at a strain of 12 %. Furthermore, the optical response of the MSN-2L is in the ultraviolet (UV) region of the electromagnetic spectrum. The absorption edge exhibits a blue shift by applying an E-field or a vertical compressive strain. The obtained interesting properties suggest MSN-2L as a promising material in electro-mechanical and UV opto-mechanical devices. |
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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 |
000640620400003 |
Publication Date |
2021-04-15 |
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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 |
0021-8979; 1089-7550 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.068 |
Times cited |
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Open Access |
OpenAccess |
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Notes |
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Approved |
Most recent IF: 2.068 |
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Call Number |
UA @ admin @ c:irua:178233 |
Serial |
6981 |
Permanent link to this record |
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Author |
Berdiyorov, G.R.; Peeters, F.M.; Hamoudi, H. |
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Title |
Effect of edge groups on the electronic transport properties of tetrapodal diazatriptycene molecule |
Type |
A1 Journal article |
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Year |
2022 |
Publication |
Physica. E: Low-dimensional systems and nanostructures |
Abbreviated Journal |
Physica E |
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Volume |
141 |
Issue |
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Pages |
115212-115216 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
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Abstract |
We conduct ballistic transport calculations to study the electronic transport properties of diazatriptycene molecule which can be self-assembled on metallic surfaces with uniform coverage and upright orientation of the functional head group. Due to its structural asymmetry, the molecule shows a clear current rectification, where the level of the rectification depends on the nature of the head group. For example, current rectification can be increased by more than a factor of 2 by anchoring the molecules to the electrode by CN functional group or introducing insulating CH2 group between the thiol end group and the adjacent phenyl ring. Our findings show the possibility of creating self-assembled monolayer of DAT molecules with controlled electronic transport properties through functionalization of the head group. |
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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 |
000806548600006 |
Publication Date |
2022-03-04 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1386-9477 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.3 |
Times cited |
2 |
Open Access |
Not_Open_Access |
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Notes |
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Approved |
Most recent IF: 3.3 |
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Call Number |
UA @ admin @ c:irua:189041 |
Serial |
7147 |
Permanent link to this record |
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Author |
Amin-Ahmadi, B.; Idrissi, H.; Galceran, M.; Colla, M.S.; Raskin, J.P.; Pardoen, T.; Godet, S.; Schryvers, D. |
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Title |
Effect of deposition rate on the microstructure of electron beam evaporated nanocrystalline palladium thin films |
Type |
A1 Journal article |
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Year |
2013 |
Publication |
Thin solid films : an international journal on the science and technology of thin and thick films |
Abbreviated Journal |
Thin Solid Films |
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Volume |
539 |
Issue |
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Pages |
145-150 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
The influence of the deposition rate on the formation of growth twins in nanocrystalline Pd films deposited by electron beam evaporation is investigated using transmission electron microscopy. Statistical measurements prove that twin boundary (TB) density and volume fraction of grains containing twins increase with increasing deposition rate. A clear increase of the dislocation density was observed for the highest deposition rate of 5 Å/s, caused by the increase of the internal stress building up during deposition. Based on crystallographic orientation indexation using transmission electron microscopy, it can be concluded that a {111} crystallographic texture increases with increasing deposition rate even though the {101} crystallographic texture remains dominant. Most of the TBs are fully coherent without any residual dislocations. However, for the highest deposition rate (5 Å/s), the coherency of the TBs decreases significantly as a result of the interaction of lattice dislocations emitted during deposition with the growth TBs. The analysis of the grain boundary character of different Pd films shows that an increasing fraction of high angle grain boundaries with misorientation angles around 5565° leads to a higher potential for twin formation. |
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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 |
Lausanne |
Editor |
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Language |
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Wos |
000321111100025 |
Publication Date |
2013-05-25 |
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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 |
0040-6090; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
1.879 |
Times cited |
13 |
Open Access |
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Notes |
Fwo |
Approved |
Most recent IF: 1.879; 2013 IF: 1.867 |
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Call Number |
UA @ lucian @ c:irua:109268 |
Serial |
807 |
Permanent link to this record |