| Records |
| Author |
Hellar-Kihampa, H.; Potgieter-Vermaak, S.; De Wael, K.; Lugwisha, E.; van Espen, P.; Van Grieken, R. |
Title  |
Concentration profiles of metal contaminants in fluvial sediments of a rural-urban drainage basin in Tanzania |
Type |
A1 Journal article |
| Year |
2014 |
Publication |
International journal of environmental analytical chemistry |
Abbreviated Journal |
Int J Environ An Ch |
| Volume |
94 |
Issue |
1 |
Pages |
77-98 |
| Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
| Abstract |
This study investigated concentration profiles of trace, rare earth and platinum group metals in fluvial sediments from the Pangani river basin (43,650 km2), one of the largest river basins in Tanzania, to assess its environmental quality. Sediment samples were collected in two distinct seasons from 12 representative sites of diverse land-use practices and characterised by ICP-MS after optimised microwave digestion. Ecological risks were assessed by evaluation of pollution index and comparison with legislated sediment quality guidelines (SQG). The results revealed contamination by some trace metals (e.g. Pb, V, Cu, Cr, Ni, Cd, As, Co, Mn and Zn) in concentrations ranging from 0.7 to 2940 mg kg−1, and four rare earth elements (Y, Ce, Nd, Yb) in concentrations ranging from 0.9 (Yb) to 500 mg kg−1 dry weight (Ce), which significantly exceeded the estimated background values at some stations. Palladium was the only platinum group element that was detected in quantifiable concentrations (0.33.5 mg kg−1). Concentrations of some trace metals exceeded the SQGs at some localised areas. Principal component analysis and multivariate correlations indicated geochemical characteristics of the area as the major control of metal concentrations and spatial variability. Organic matter and clay contents also played a significant role in metal distributions. Assessment of land-use practices upstream of the sampling locations was used to trace potential anthropogenic sources of metal enrichments, where highest levels were found in areas close to urban centres and agricultural activities. The study provides baseline data for future monitoring programs, and highlights the need for more comprehensive analysis involving a wider spatio-temporal scale and ecotoxicological risk assessment. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
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Editor |
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| Language |
|
Wos |
000329774500007 |
Publication Date |
2013-05-24 |
| Series Editor |
|
Series Title |
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Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0306-7319 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
1.208 |
Times cited |
5 |
Open Access |
|
| Notes |
; The participants of this research gratefully acknowledge the financial support of the Belgian Development Agency (BTC). The contribution of the Pangani Basin Water Board (PBWB), especially Ms Arafa Maggidi in provision of valuable information and assistance with the sampling campaigns is greatly appreciated. We sincerely acknowledge the assistance of Mr. Elisa Dunstan Kiwelu of Ardhi University, Dar es Salaam, Tanzania in mapping the study area; Mr Peter Machibya of the Department of Geology, University of Dar es Salaam, Tanzania in sediment characterisation; and Dr Valentine Kayawe Mubiana of the Department of Biology, University of Antwerp in ICP-MS analysis. The contributions of six anonymous reviewers, which greatly improved the manuscript for this paper, are highly appreciated. ; |
Approved |
Most recent IF: 1.208; 2014 IF: 1.295 |
| Call Number |
UA @ admin @ c:irua:109234 |
Serial |
5547 |
| Permanent link to this record |
| |
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| |
| Author |
Sahin, H.; Torun, E.; Bacaksiz, C.; Horzum, S.; Kang, J.; Senger, R.T.; Peeters, F.M. |
| Title |
Computing optical properties of ultra-thin crystals |
Type |
A1 Journal article |
| Year |
2016 |
Publication |
Wiley Interdisciplinary Reviews: Computational Molecular Science |
Abbreviated Journal |
Wires Comput Mol Sci |
| Volume |
6 |
Issue |
6 |
Pages |
351-368 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
An overview is given of recent advances in experimental and theoretical understanding of optical properties of ultra-thin crystal structures (graphene, phosphorene, silicene, MoS2 , MoSe2, WS2, WSe2, h-AlN, h-BN, fluorographene, and graphane). Ultra-thin crystals are atomically thick-layered crystals that have unique properties which differ from their 3D counterpart. Because of the difficulties in the synthesis of few-atom-thick crystal structures, which are thought to be the main building blocks of future nanotechnology, reliable theoretical predictions of their electronic, vibrational, and optical properties are of great importance. Recent studies revealed the reliable predictive power of existing theoretical approaches based on density functional theory. (C) 2016 John Wiley & Sons, Ltd WIREs Comput Mol Sci 2016, 6:351-368. doi: 10.1002/wcms.1252 For further resources related to this article, please visit the . |
| 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 |
000379267300002 |
Publication Date |
2016-02-20 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
1759-0876 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
14.016 |
Times cited |
14 |
Open Access |
|
| Notes |
; This work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem Foundation of the Flemish government. Computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure). H.S. is supported by a FWO Pegasus Long Marie Curie Fellowship. J.K. is supported by a FWO Pegasus short Marie Curie Fellowship. ; |
Approved |
Most recent IF: 14.016 |
| Call Number |
UA @ lucian @ c:irua:134649 |
Serial |
4155 |
| Permanent link to this record |
| |
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| |
| Author |
Tiwari, S.; Vanherck, J.; Van de Put, M.L.; Vandenberghe, W.G.; Sorée, B. |
| Title |
Computing Curie temperature of two-dimensional ferromagnets in the presence of exchange anisotropy |
Type |
A1 Journal article |
| Year |
2021 |
Publication |
Physical review research |
Abbreviated Journal |
|
| Volume |
3 |
Issue |
4 |
Pages |
043024 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
We compare three first-principles methods of calculating the Curie temperature in two-dimensional (2D) ferromagnetic materials (FM), modeled using the Heisenberg model, and propose a simple formula for estimating the Curie temperature with high accuracy that works for all common 2D lattice types. First, we study the effect of exchange anisotropy on the Curie temperature calculated using the Monte Carlo (MC), the Green's function, and the renormalized spin-wave (RNSW) methods. We find that the Green's function method overestimates the Curie temperature in high-anisotropy regimes compared to the MC method, whereas the RNSW method underestimates the Curie temperature compared to the MC and the Green's function methods. Next, we propose a closed-form formula for calculating the Curie temperature of 2D FMs, which provides an estimate of the Curie temperature that is greatly improved over the mean-field expression for magnetic material screening. We apply the closed-form formula to predict the Curie temperature 2D magnets screened from the C2DB database and discover several high Curie temperature FMs, with Fe2F2 and MoI2 emerging as the most promising 2D ferromagnets. Finally, by comparing to experimental results for CrI3, CrCl3, and CrBr3, we conclude that for small effective anisotropies, the Green's-function-based equations are preferable, while for larger anisotropies, MC-based results are more predictive. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
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Editor |
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| Language |
|
Wos |
000707506500001 |
Publication Date |
2021-10-11 |
| Series Editor |
|
Series Title |
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Abbreviated Series Title |
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| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
|
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
|
Times cited |
|
Open Access |
OpenAccess |
| Notes |
|
Approved |
Most recent IF: NA |
| Call Number |
UA @ admin @ c:irua:182522 |
Serial |
6975 |
| Permanent link to this record |
| |
|
| |
| Author |
Bleiner, D.; Bogaerts, A. |
| Title |
Computer simulations of sample chambers for laser ablation-inductively coupled plasma spectrometry |
Type |
A1 Journal article |
| Year |
2007 |
Publication |
Spectrochimica acta: part B : atomic spectroscopy |
Abbreviated Journal |
Spectrochim Acta B |
| Volume |
62 |
Issue |
2 |
Pages |
155-168 |
| Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| Abstract |
|
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
|
Place of Publication |
Oxford |
Editor |
|
| Language |
|
Wos |
000246087100009 |
Publication Date |
2007-02-28 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0584-8547; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.241 |
Times cited |
|
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 3.241; 2007 IF: 2.957 |
| Call Number |
UA @ lucian @ c:irua:63350 |
Serial |
473 |
| Permanent link to this record |
| |
|
| |
| Author |
Neyts, E.C.; Yusupov, M.; Verlackt, C.C.; Bogaerts, A. |
| Title |
Computer simulations of plasmabiomolecule and plasmatissue interactions for a better insight in plasma medicine |
Type |
A1 Journal article |
| Year |
2014 |
Publication |
Journal of physics: D: applied physics |
Abbreviated Journal |
J Phys D Appl Phys |
| Volume |
47 |
Issue |
29 |
Pages |
293001 |
| Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| Abstract |
Plasma medicine is a rapidly evolving multidisciplinary field at the intersection of chemistry, biochemistry, physics, biology, medicine and bioengineering. It holds great potential in medical, health care, dentistry, surgical, food treatment and other applications. This multidisciplinary nature and variety of possible applications come along with an inherent and intrinsic complexity. Advancing plasma medicine to the stage that it becomes an everyday tool in its respective fields requires a fundamental understanding of the basic processes, which is lacking so far. However, some major advances have already been made through detailed experiments over the last 15 years. Complementary, computer simulations may provide insight that is difficultif not impossibleto obtain through experiments. In this review, we aim to provide an overview of the various simulations that have been carried out in the context of plasma medicine so far, or that are relevant for plasma medicine. We focus our attention mostly on atomistic simulations dealing with plasmabiomolecule interactions. We also provide a perspective and tentative list of opportunities for future modelling studies that are likely to further advance the field. |
| 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 |
000338860300001 |
Publication Date |
2014-06-26 |
| Series Editor |
|
Series Title |
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Abbreviated Series Title |
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| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0022-3727;1361-6463; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
2.588 |
Times cited |
28 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 2.588; 2014 IF: 2.721 |
| Call Number |
UA @ lucian @ c:irua:117853 |
Serial |
472 |
| Permanent link to this record |
| |
|
| |
| Author |
Bleiner, D.; Bogaerts, A. |
| Title |
Computer simulations of laser ablation sample introduction for plasma-source elemental microanalysis |
Type |
A1 Journal article |
| Year |
2006 |
Publication |
Journal of analytical atomic spectrometry |
Abbreviated Journal |
J Anal Atom Spectrom |
| Volume |
21 |
Issue |
11 |
Pages |
1161-1174 |
| Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| Abstract |
|
| Address |
|
| Corporate Author |
|
Thesis |
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| Publisher |
|
Place of Publication |
London |
Editor |
|
| Language |
|
Wos |
000241568200005 |
Publication Date |
2006-09-14 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0267-9477;1364-5544; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.379 |
Times cited |
22 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 3.379; 2006 IF: 3.630 |
| Call Number |
UA @ lucian @ c:irua:60157 |
Serial |
471 |
| Permanent link to this record |
| |
|
| |
| Author |
Bogaerts, A.; Verscharen, W.; Steers, E. |
| Title |
Computer simulations of crater profiles in glow discharge optical emission spectrometry: comparison with experiments and investigation of the underlying mechanisms |
Type |
A1 Journal article |
| Year |
2004 |
Publication |
Spectrochimica acta: part B : atomic spectroscopy |
Abbreviated Journal |
Spectrochim Acta B |
| Volume |
59 |
Issue |
|
Pages |
1403-1411 |
| Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| Abstract |
|
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
Oxford |
Editor |
|
| Language |
|
Wos |
000224589900008 |
Publication Date |
2004-07-23 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0584-8547; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.241 |
Times cited |
14 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 3.241; 2004 IF: 3.086 |
| Call Number |
UA @ lucian @ c:irua:48103 |
Serial |
469 |
| Permanent link to this record |
| |
|
| |
| Author |
Bogaerts, A. |
| Title |
Computer simulations of argon-hydrogen Grimm-type glow discharges |
Type |
A1 Journal article |
| Year |
2008 |
Publication |
Journal of analytical atomic spectrometry |
Abbreviated Journal |
J Anal Atom Spectrom |
| Volume |
23 |
Issue |
|
Pages |
1476-1486 |
| Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| Abstract |
Computer simulations have been performed to describe the effect of small admixtures of hydrogen to an argon glow discharge in the Grimm-type configuration. The two-dimensional density profiles of the various plasma species (i.e., electrons, Ar+, ArH+, H+, H2+ and H3+ ions, H atoms and H2 molecules, Ar metastable atoms and sputtered Cu atoms) are presented for 1% H2 added to the argon glow discharge, and the effect of different H2 additions (varying between 0.1 and 10%) on the species densities, the hydrogen dissociation degree, and the sputtering process, are investigated. Finally, the relative contributions of various production and loss processes for the different plasma species are calculated. |
| 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 |
|
| Language |
|
Wos |
000260309700002 |
Publication Date |
2008-10-23 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0267-9477;1364-5544; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.379 |
Times cited |
23 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 3.379; 2008 IF: 4.028 |
| Call Number |
UA @ lucian @ c:irua:70950 |
Serial |
468 |
| Permanent link to this record |
| |
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| |
| Author |
Tinck, S.; Bogaerts, A. |
| Title |
Computer simulations of an oxygen inductively coupled plasma used for plasma-assisted atomic layer deposition |
Type |
A1 Journal article |
| Year |
2011 |
Publication |
Plasma sources science and technology |
Abbreviated Journal |
Plasma Sources Sci T |
| Volume |
20 |
Issue |
1 |
Pages |
015008-015008,10 |
| Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| Abstract |
In this paper, an O2 inductively coupled plasma used for plasma enhanced atomic layer deposition of Al2O3 thin films is investigated by means of modeling. This work intends to provide more information about basic plasma properties such as species densities and species fluxes to the substrate as a function of power and pressure, which might be hard to measure experimentally. For this purpose, a hybrid model developed by Kushner et al is applied to calculate the plasma characteristics in the reactor volume for different chamber pressures ranging from 1 to 10 mTorr and different coil powers ranging from 50 to 500 W. Density profiles of the various oxygen containing plasma species are reported as well as fluxes to the substrate under various operating conditions. Furthermore, different orientations of the substrate, which can be placed vertically or horizontally in the reactor, are taken into account. In addition, special attention is paid to the recombination process of atomic oxygen on the different reactor walls under the stated operating conditions. From this work it can be concluded that the plasma properties change significantly in different locations of the reactor. The plasma density near the cylindrical coil is high, while it is almost negligible in the neighborhood of the substrate. Ion and excited species fluxes to the substrate are found to be very low and negligible. Finally, the orientation of the substrate has a minor effect on the flux of O2, while it has a significant effect on the flux of O. In the horizontal configuration, the flux of atomic oxygen can be up to one order of magnitude lower than in the vertical configuration. |
| Address |
|
| Corporate Author |
|
Thesis |
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| Publisher |
Institute of Physics |
Place of Publication |
Bristol |
Editor |
|
| Language |
|
Wos |
000286592200009 |
Publication Date |
2011-01-08 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0963-0252;1361-6595; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.302 |
Times cited |
11 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 3.302; 2011 IF: 2.521 |
| Call Number |
UA @ lucian @ c:irua:85285 |
Serial |
467 |
| Permanent link to this record |
| |
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| |
| Author |
Martens, T.; Bogaerts, A.; Brok, W.; van Dijk, J. |
| Title |
Computer simulations of a dielectric barrier discharge used for analytical spectrometry |
Type |
A1 Journal article |
| Year |
2007 |
Publication |
Analytical and bioanalytical chemistry |
Abbreviated Journal |
Anal Bioanal Chem |
| Volume |
388 |
Issue |
8 |
Pages |
1583-1594 |
| Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| Abstract |
|
| Address |
|
| Corporate Author |
|
Thesis |
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| Publisher |
|
Place of Publication |
Berlin |
Editor |
|
| Language |
|
Wos |
000248373300005 |
Publication Date |
2007-04-18 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
1618-2642;1618-2650; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.431 |
Times cited |
28 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 3.431; 2007 IF: 2.867 |
| Call Number |
UA @ lucian @ c:irua:65036 |
Serial |
466 |
| Permanent link to this record |
| |
|
| |
| Author |
Bogaerts, A.; de Bleecker, K.; Georgieva, V.; Kolev, I.; Madani, M.; Neyts, E. |
| Title |
Computer simulations for processing plasmas |
Type |
A1 Journal article |
| Year |
2006 |
Publication |
Plasma processes and polymers |
Abbreviated Journal |
Plasma Process Polym |
| Volume |
3 |
Issue |
2 |
Pages |
110-119 |
| Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| Abstract |
|
| Address |
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| Corporate Author |
|
Thesis |
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| Publisher |
|
Place of Publication |
Weinheim |
Editor |
|
| Language |
|
Wos |
000235628300003 |
Publication Date |
2006-02-02 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
1612-8850;1612-8869; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
2.846 |
Times cited |
8 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 2.846; 2006 IF: 2.298 |
| Call Number |
UA @ lucian @ c:irua:56076 |
Serial |
465 |
| Permanent link to this record |
| |
|
| |
| Author |
Bogaerts, A.; Gijbels, R. |
| Title |
Computer simulation of an analytical direct current glow discharge in argon: influence of the cell dimensions on the plasma quantities |
Type |
A1 Journal article |
| Year |
1997 |
Publication |
Journal of analytical atomic spectrometry |
Abbreviated Journal |
J Anal Atom Spectrom |
| Volume |
12 |
Issue |
|
Pages |
751-759 |
| Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| Abstract |
|
| Address |
|
| Corporate Author |
|
Thesis |
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| Publisher |
|
Place of Publication |
London |
Editor |
|
| Language |
|
Wos |
A1997XM00600009 |
Publication Date |
0000-00-00 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0267-9477 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.379 |
Times cited |
21 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 3.379; 1997 IF: 3.595 |
| Call Number |
UA @ lucian @ c:irua:19605 |
Serial |
464 |
| Permanent link to this record |
| |
|
| |
| Author |
Bogaerts, A.; Eckert, M.; Mao, M.; Neyts, E. |
| Title |
Computer modelling of the plasma chemistry and plasma-based growth mechanisms for nanostructured materials |
Type |
A1 Journal article |
| Year |
2011 |
Publication |
Journal of physics: D: applied physics |
Abbreviated Journal |
J Phys D Appl Phys |
| Volume |
44 |
Issue |
17 |
Pages |
174030-174030,16 |
| Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| Abstract |
In this review paper, an overview is given of different modelling efforts for plasmas used for the formation and growth of nanostructured materials. This includes both the plasma chemistry, providing information on the precursors for nanostructure formation, as well as the growth processes itself. We limit ourselves to carbon (and silicon) nanostructures. Examples of the plasma modelling comprise nanoparticle formation in silane and hydrocarbon plasmas, as well as the plasma chemistry giving rise to carbon nanostructure formation, such as (ultra)nanocrystalline diamond ((U)NCD) and carbon nanotubes (CNTs). The second part of the paper deals with the simulation of the (plasma-based) growth mechanisms of the same carbon nanostructures, i.e. (U)NCD and CNTs, both by mechanistic modelling and detailed atomistic simulations. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
|
Place of Publication |
London |
Editor |
|
| Language |
|
Wos |
000289512700030 |
Publication Date |
2011-04-15 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0022-3727;1361-6463; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
2.588 |
Times cited |
25 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 2.588; 2011 IF: 2.544 |
| Call Number |
UA @ lucian @ c:irua:88364 |
Serial |
463 |
| Permanent link to this record |
| |
|
| |
| Author |
Bogaerts, A.; Bultinck, E.; Kolev, I.; Schwaederlé, L.; van Aeken, K.; Buyle, G.; Depla, D. |
| Title |
Computer modelling of magnetron discharges |
Type |
A1 Journal article |
| Year |
2009 |
Publication |
Journal of physics: D: applied physics |
Abbreviated Journal |
J Phys D Appl Phys |
| Volume |
42 |
Issue |
19 |
Pages |
194018,1-194018,12 |
| Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| Abstract |
In this paper, some modelling approaches to describe direct current (dc) magnetron discharges developed in our research groups will be presented, including an analytical model, Monte Carlo simulations for the electrons and for the sputtered atoms, a hybrid Monte Carlo-fluid model and particle-in-cell-Monte Carlo collision simulations. The strengths and limitations of the various modelling approaches will be explained, and some characteristic simulation results will be illustrated. Furthermore, some other simulation methods related to the magnetron device will be briefly explained, more specifically for calculating the magnetic field distribution inside the discharge, and for describing the (reactive) sputtering. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
London |
Editor |
|
| Language |
|
Wos |
000269993100020 |
Publication Date |
2009-09-19 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0022-3727;1361-6463; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
2.588 |
Times cited |
32 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 2.588; 2009 IF: 2.083 |
| Call Number |
UA @ lucian @ c:irua:78168 |
Serial |
462 |
| Permanent link to this record |
| |
|
| |
| Author |
Bogaerts, A.; Bultinck, E.; Eckert, M.; Georgieva, V.; Mao, M.; Neyts, E.; Schwaederlé, L. |
| Title |
Computer modeling of plasmas and plasma-surface interactions |
Type |
A1 Journal article |
| Year |
2009 |
Publication |
Plasma processes and polymers |
Abbreviated Journal |
Plasma Process Polym |
| Volume |
6 |
Issue |
5 |
Pages |
295-307 |
| Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| Abstract |
In this paper, an overview is given of different modeling approaches used for describing gas discharge plasmas, as well as plasma-surface interactions. A fluid model is illustrated for describing the detailed plasma chemistry in capacitively coupled rf discharges. The strengths and limitations of Monte Carlo simulations and of a particle-in-cell-Monte Carlo collisions model are explained for a magnetron discharge, whereas the capabilities of a hybrid Monte Carlo-fluid approach are illustrated for a direct current glow discharge used for spectrochemical analysis of materials. Finally, some examples of molecular dynamics simulations, for the purpose of plasma-deposition, are given. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
Weinheim |
Editor |
|
| Language |
|
Wos |
000266471800003 |
Publication Date |
2009-04-20 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
1612-8850;1612-8869; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
2.846 |
Times cited |
18 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 2.846; 2009 IF: 4.037 |
| Call Number |
UA @ lucian @ c:irua:76833 |
Serial |
461 |
| Permanent link to this record |
| |
|
| |
| Author |
Wouters, L.; Michaud, D.; Van Grieken, R. |
| Title |
Computer aided processing of laser microprobe mass spectra |
Type |
A1 Journal article |
| Year |
1993 |
Publication |
Microchimica acta |
Abbreviated Journal |
|
| Volume |
110 |
Issue |
|
Pages |
31-40 |
| Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
| Abstract |
|
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
A1993KU57100004 |
Publication Date |
2005-02-26 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0026-3672; 1436-5073 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
|
Times cited |
|
Open Access |
|
| Notes |
|
Approved |
no |
| Call Number |
UA @ admin @ c:irua:6240 |
Serial |
7720 |
| Permanent link to this record |
| |
|
| |
| Author |
Miglio, A.; Saniz, R.; Waroquiers, D.; Stankovski, M.; Giantomassi, M.; Hautier, G.; Rignanese, G.-M.; Gonze, X. |
| Title |
Computed electronic and optical properties of SnO2 under compressive stress |
Type |
A1 Journal article |
| Year |
2014 |
Publication |
Optical materials |
Abbreviated Journal |
Opt Mater |
| Volume |
38 |
Issue |
|
Pages |
161-166 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
We consider the effects of three different types of applied compressive stress on the structural, electronic and optical properties of rutile SnO2. We use standard density functional theory (OFT) to determine the structural parameters. The effective masses and the electronic band gap, as well as their stress derivatives, are computed within both DFT and many-body perturbation theory (MBPT). The stress derivatives for the SnO2 direct band gap are determined to be 62, 38 and 25 meV/GPa within MBPT for applied hydrostatic, biaxial and uniaxial stress, respectively. Compared to DFT, this is a clear improvement with respect to available experimental data. We also estimate the exciton binding energies and their stress coefficients and compute the absorption spectrum by solving the Bethe-Salpeter equation. (C) 2014 Elsevier B.V. All rights reserved. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
Amsterdam |
Editor |
|
| Language |
|
Wos |
000346228800028 |
Publication Date |
2014-11-08 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| 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 |
6 |
Open Access |
|
| Notes |
; This work was supported by the FRS-FNRS through a FRIA grant (D.W.) and a FNRS grant (G.H.). This work was also supported by the IWT Project Number 080023 (ISIMADE), the Region Wallonne through WALL-ETSF project Number 816849, the EU-FP7 HT4TCOS Grant No. PCIG11-GA-2912-321988, the FRS-FNRS through contracts FRFC Number 2.4.589.09.F and AIXPHO (PDR Grant T-0238.13). The authors would like to thank Yann Pouillon and Jean-Michel Beuken for their valuable technical support and help with the test and build system of ABINIT. Computational resources have been provided by the supercomputing facilities of the Universite catholique de Louvain (CISM/UCL) and the Consortium des Equipements de Calcul Intensif en Federation Wallonie Bruxelles (CECI) funded by the Fonds de la Recherche Scientifique de Belgique (FRS-FNRS) under Grant No. 2.5020.11. ; |
Approved |
Most recent IF: 2.238; 2014 IF: 1.981 |
| Call Number |
UA @ lucian @ c:irua:122747 |
Serial |
460 |
| Permanent link to this record |
| |
|
| |
| Author |
Gvozdetskyi, V.; Bhaskar, G.; Batuk, M.; Zhao, X.; Wang, R.; Carnahan, S.L.; Hanrahan, M.P.; Ribeiro, R.A.; Canfield, P.C.; Rossini, A.J.; Wang, C.-Z.; Ho, K.-M.; Hadermann, J.; Zaikina, J.V. |
| Title |
Computationally Driven Discovery of a Family of Layered LiNiB Polymorphs |
Type |
A1 Journal article |
| Year |
2019 |
Publication |
Angewandte Chemie: international edition in English |
Abbreviated Journal |
Angew Chem Int Edit |
| Volume |
58 |
Issue |
44 |
Pages |
15855-15862 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
Two novel lithium nickel boride polymorphs RT-LiNiB and HT-LiNiB with layered crystal structures are reported. This family of compounds was theoretically predicted by using the adaptive genetic algorithm (AGA) and subsequently synthesized via a hydride route with LiH precursor as a lithium source. Being unique among the known ternary transition metal borides, the LiNiB structures feature Li layers alternating with nearly planar [NiB] layers, composed of Ni hexagonal rings centered by B-B pairs. A comprehensive study using a combination of single crystal/synchrotron powder X-ray diffraction data, solid-state 7Li and 11B NMR, scanning transmission electron microscopy, quantum chemistry calculations, and magnetism has shed light on the intrinsic features of these polymorphic compounds. The unique layered structures of LiNiB compounds make them ultimate precursors to further study their exfoliation, paving a way toward two-dimensional transition metal borides, MBenes. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
000491219600038 |
Publication Date |
2019-10-28 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
1433-7851 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
11.994 |
Times cited |
|
Open Access |
|
| Notes |
the Gordon and Betty Moore Foundation’s EPiQS Initiative through Grant GBMF4411. The Ames Laboratory is operated for the U.S. Department of Energy by Iowa State University under contract #DE-AC02-07CH11358. Use of the Advanced Photon Source at Argonne National Laboratory was supported by the U. S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under Contract No. DE-AC02-06CH11357. |
Approved |
Most recent IF: 11.994 |
| Call Number |
EMAT @ emat @c:irua:164752 |
Serial |
5433 |
| Permanent link to this record |
| |
|
| |
| Author |
Tinck, S.; Bogaerts, A. |
| Title |
Computational study of the CF4 /CHF3 / H2 /Cl2 /O2 /HBr gas phase plasma chemistry |
Type |
A1 Journal article |
| Year |
2016 |
Publication |
Journal of physics: D: applied physics |
Abbreviated Journal |
J Phys D Appl Phys |
| Volume |
49 |
Issue |
49 |
Pages |
195203 |
| Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| Abstract |
A modelling study is performed of high-density low-pressure inductively coupled CF4/CHF3/H2/Cl2/O2/HBr plasmas under different gas mixing ratios. A reaction set describing the complete plasma chemistry is presented and discussed. The gas fraction of each component in this mixture is varied to investigate the sensitivity of the plasma properties, like electron density, plasma potential and species densities, towards the gas mixing ratios. This research is of great interest for microelectronics applications because these gases are often combined in two (or more)-component mixtures, and mixing gases or changing the fraction of a gas can sometimes yield unwanted reaction products or unexpected changes in the overall plasma properties due to the increased chemical complexity of the system. Increasing the CF4 fraction produces more F atoms for chemical etching as expected, but also more prominently lowers the density of Cl atoms, resulting in an actual drop in the etch rate under certain conditions. Furthermore, CF4 decreases the free electron density when mixed with Cl2. However, depending on the other gas components, CF4 gas can also sometimes enhance free electron density. This is the case when HBr is added to the mixture. The addition of H2 to the gas mixture will lower the sputtering process, not only due to the lower overall positive ion density at higher H2 fractions, but also because more H+, H2 + and H3 + are present and they have very low sputter yields. In contrast, a larger Cl2 fraction results in more chemical etching but also in less physical sputtering due to a smaller abundance of positive ions. Increasing the O2 fraction in the plasma will always lower the etch rate due to more oxidation of the wafer surface and due to a lower plasma density. However, it is also observed that the density of F atoms can actually increase with rising O2 gas fraction. This is relevant to note because the exact balance between fluorination and oxidation is important for fine-tuning the overall etch rate and for control of the sidewall profile. Finally, HBr is often used as a chemical etcher, but when mixed with F- or Cl-containing gases, HBr creates the same diluting effects as Ar or He, because a
higher fraction results in less chemical etching but more (physical) sputtering. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
000375255500017 |
Publication Date |
2016-04-13 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0022-3727 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
2.588 |
Times cited |
5 |
Open Access |
|
| Notes |
We acknowledge the Fund for Scientific Research Flanders (FWO) for financial support of this work. This work was carried out in part using the Turing HPC infrastructure at the CalcUA core facility of the Universiteit Antwerpen, a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government (department EWI) and the University of Antwerp. |
Approved |
Most recent IF: 2.588 |
| Call Number |
c:irua:132890 |
Serial |
4062 |
| Permanent link to this record |
| |
|
| |
| Author |
Zhang, Y.; Jiang, W.; Zhang, Q.Z.; Bogaerts, A. |
| Title |
Computational study of plasma sustainability in radio frequency micro-discharges |
Type |
A1 Journal article |
| Year |
2014 |
Publication |
Journal of applied physics |
Abbreviated Journal |
J Appl Phys |
| Volume |
115 |
Issue |
19 |
Pages |
193301-193311 |
| Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| Abstract |
We apply an implicit particle-in-cell Monte-Carlo (PIC-MC) method to study a radio-frequency argon microdischarge at steady state in the glow discharge limit, in which the microdischarge is sustained by secondary electron emission from the electrodes. The plasma density, electron energy distribution function (EEDF), and electron temperature are calculated in a wide range of operating conditions, including driving voltage, microdischarge gap, and pressure. Also, the effect of gap size scaling (in the range of 50-1000 μm) on the plasma sustaining voltage and peak electron density at atmospheric pressure is examined, which has not been explored before. In our simulations, three different EEDFs, i.e., a so-called three temperature hybrid mode, a two temperature α mode, and a two temperature γ mode distribution, are identified at different gaps and voltages. The maximum sustaining voltage to avoid a transition from the glow mode to an arc is predicted, as well as the minimum sustaining voltage for a steady glow discharge. Our calculations elucidate that secondary electrons play an essential role in sustaining the discharge, and as a result the relationship between breakdown voltage and gap spacing is far away from the Paschen law at atmospheric pressure. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
|
| Language |
|
Wos |
000336920200010 |
Publication Date |
2014-05-16 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0021-8979;1089-7550; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
2.068 |
Times cited |
11 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 2.068; 2014 IF: 2.183 |
| Call Number |
UA @ lucian @ c:irua:116948 |
Serial |
458 |
| Permanent link to this record |
| |
|
| |
| Author |
de Backer, J.W.; Vos, W.G.; Devolder, A.; Verhulst, S.L.; Germonpré, P.; Wuyts, F.L.; Parizel, P.M.; de Backer, W. |
| Title |
Computational fluid dynamics can detect changes in airway resistance in asthmatics after acute bronchodilation |
Type |
A1 Journal article |
| Year |
2008 |
Publication |
Journal of biomechanics |
Abbreviated Journal |
J Biomech |
| Volume |
41 |
Issue |
1 |
Pages |
106-113 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT); Antwerp Surgical Training, Anatomy and Research Centre (ASTARC); Laboratory Experimental Medicine and Pediatrics (LEMP) |
| Abstract |
|
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
New York, N.Y. |
Editor |
|
| Language |
|
Wos |
000253062100014 |
Publication Date |
2007-08-15 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0021-9290; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
2.664 |
Times cited |
53 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 2.664; 2008 IF: 2.784 |
| Call Number |
UA @ lucian @ c:irua:64859 |
Serial |
456 |
| Permanent link to this record |
| |
|
| |
| Author |
Chen, J.H.; van Dyck, D.; op de Beeck, M.; van Landuyt, J. |
| Title |
Computational comparisons between the conventional multislice method and the third-order multislice method for calculating high-energy electron diffraction and imaging |
Type |
A1 Journal article |
| Year |
1997 |
Publication |
Ultramicroscopy |
Abbreviated Journal |
Ultramicroscopy |
| Volume |
69 |
Issue |
|
Pages |
219-240 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Vision lab |
| Abstract |
|
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
Amsterdam |
Editor |
|
| Language |
|
Wos |
A1997YG59500001 |
Publication Date |
0000-00-00 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0304-3991 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
2.843 |
Times cited |
11 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 2.843; 1997 IF: 1.600 |
| Call Number |
UA @ lucian @ c:irua:21416 |
Serial |
455 |
| Permanent link to this record |
| |
|
| |
| Author |
Verbeeck, J.; Van Aert, S.; Zhang, L.; Haiyan, T.; Schattschneider, P.; Rosenauer, A. |
| Title |
Computational aspects in quantitative EELS |
Type |
A1 Journal article |
| Year |
2010 |
Publication |
Microscopy and microanalysis |
Abbreviated Journal |
Microsc Microanal |
| Volume |
16 |
Issue |
S:2 |
Pages |
240-241 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
|
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
Cambridge, Mass. |
Editor |
|
| Language |
|
Wos |
|
Publication Date |
2010-08-26 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
1431-9276;1435-8115; |
ISBN |
|
Additional Links |
UA library record |
| Impact Factor |
1.891 |
Times cited |
|
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 1.891; 2010 IF: 3.259 |
| Call Number |
UA @ lucian @ c:irua:96556UA @ admin @ c:irua:96556 |
Serial |
454 |
| Permanent link to this record |
| |
|
| |
| Author |
Demiroglu, I.; Karaaslan, Y.; Kocabas, T.; Keceli, M.; Vazquez-Mayagoitia, A.; Sevik, C. |
| Title |
Computation of the thermal expansion coefficient of graphene with Gaussian approximation potentials |
Type |
A1 Journal article |
| Year |
2021 |
Publication |
Journal Of Physical Chemistry C |
Abbreviated Journal |
J Phys Chem C |
| Volume |
125 |
Issue |
26 |
Pages |
14409-14415 |
| Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
| Abstract |
Direct experimental measurement of thermal expansion coefficient without substrate effects is a challenging task for two-dimensional (2D) materials, and its accurate estimation with large-scale ab initio molecular dynamics is computationally very expensive. Machine learning-based interatomic potentials trained with ab initio data have been successfully used in molecular dynamics simulations to decrease the computational cost without compromising the accuracy. In this study, we investigated using Gaussian approximation potentials to reproduce the density functional theory-level accuracy for graphene within both lattice dynamical and molecular dynamical methods, and to extend their applicability to larger length and time scales. Two such potentials are considered, GAP17 and GAP20. GAP17, which was trained with pristine graphene structures, is found to give closer results to density functional theory calculations at different scales. Further vibrational and structural analyses verify that the same conclusions can be deduced with density functional theory level in terms of the reasoning of the thermal expansion behavior, and the negative thermal expansion behavior is associated with long-range out-of-plane phonon vibrations. Thus, it is argued that the enabled larger system sizes by machine learning potentials may even enhance the accuracy compared to small-size-limited ab initio molecular dynamics. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
000672734100027 |
Publication Date |
2021-06-24 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
1932-7447; 1932-7455 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
4.536 |
Times cited |
|
Open Access |
OpenAccess |
| Notes |
|
Approved |
Most recent IF: 4.536 |
| Call Number |
UA @ admin @ c:irua:179850 |
Serial |
7719 |
| Permanent link to this record |
| |
|
| |
| Author |
Schowalter, M.; Rosenauer, A.; Titantah, J.T.; Lamoen, D. |
| Title |
Computation and parametrization of the temperature dependence of Debye-Waller factors for group IV, III-V and II-VI semiconductors |
Type |
A1 Journal article |
| Year |
2009 |
Publication |
Acta crystallographica: section A: foundations of crystallography |
Abbreviated Journal |
Acta Crystallogr A |
| Volume |
65 |
Issue |
1 |
Pages |
5-17 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
We calculated the temperature dependence of the Debye-Waller factors for a variety of group IV, III-V and II-VI semiconductors from 0.1 to 1000 K. The approach used to fit the temperature dependence is described and resulting fit parameters are tabulated for each material. The Debye-Waller factors are deduced from generalized phonon densities of states which were derived from first principles using the WIEN2k and the ABINIT codes. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
Copenhagen |
Editor |
|
| Language |
|
Wos |
000261799500002 |
Publication Date |
2008-11-05 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0108-7673; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
5.725 |
Times cited |
51 |
Open Access |
|
| Notes |
Fwo G.0425.05; Esteem 026019 |
Approved |
Most recent IF: 5.725; 2009 IF: 49.926 |
| Call Number |
UA @ lucian @ c:irua:72918 |
Serial |
453 |
| Permanent link to this record |
| |
|
| |
| Author |
Bogaerts, A.; Gijbels, R. |
| Title |
Comprehensive three-dimensional modeling network for a dc glow discharge plasma |
Type |
A1 Journal article |
| Year |
1998 |
Publication |
Plasma physics reports |
Abbreviated Journal |
Plasma Phys Rep+ |
| Volume |
24 |
Issue |
|
Pages |
573-583 |
| Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| Abstract |
|
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
New York |
Editor |
|
| Language |
|
Wos |
000075129800005 |
Publication Date |
0000-00-00 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
1063-780x |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
0.984 |
Times cited |
8 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 0.984; 1998 IF: 0.444 |
| Call Number |
UA @ lucian @ c:irua:24123 |
Serial |
452 |
| Permanent link to this record |
| |
|
| |
| Author |
Bogaerts, A. |
| Title |
Comprehensive modelling network for dc glow discharges in argon |
Type |
A1 Journal article |
| Year |
1999 |
Publication |
Plasma sources science and technology |
Abbreviated Journal |
Plasma Sources Sci T |
| Volume |
8 |
Issue |
|
Pages |
210-229 |
| Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| Abstract |
|
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
Institute of Physics |
Place of Publication |
Bristol |
Editor |
|
| Language |
|
Wos |
000080660600004 |
Publication Date |
2002-08-25 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0963-0252;1361-6595; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.302 |
Times cited |
27 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 3.302; 1999 IF: 2.038 |
| Call Number |
UA @ lucian @ c:irua:24129 |
Serial |
451 |
| Permanent link to this record |
| |
|
| |
| Author |
Worobiec, A.; Stefaniak, E.A.; Kiro, S.; Oprya, M.; Bekshaev, A.; Spolnik, Z.; Potgieter-Vermaak, S.S.; Ennan, A.; Van Grieken, R. |
| Title |
Comprehensive microanalytical study of welding aerosols with x-ray and Raman based methods |
Type |
A1 Journal article |
| Year |
2007 |
Publication |
X-ray spectrometry |
Abbreviated Journal |
|
| Volume |
36 |
Issue |
5 |
Pages |
328-335 |
| Keywords |
A1 Journal article; Laboratory Experimental Medicine and Pediatrics (LEMP); AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
| Abstract |
|
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
000249961800008 |
Publication Date |
2007-07-16 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0049-8246 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
|
Times cited |
|
Open Access |
|
| Notes |
|
Approved |
no |
| Call Number |
UA @ admin @ c:irua:65370 |
Serial |
7718 |
| Permanent link to this record |
| |
|
| |
| Author |
Gurel, T.; Altunay, Y.A.; Bulut, P.; Yildirim, S.; Sevik, C. |
| Title |
Comprehensive investigation of the extremely low lattice thermal conductivity and thermoelectric properties of BaIn₂Te₄ |
Type |
A1 Journal article |
| Year |
2022 |
Publication |
Physical review B |
Abbreviated Journal |
Phys Rev B |
| Volume |
106 |
Issue |
19 |
Pages |
195204-195210 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
Recently, an extremely low lattice thermal conductivity value has been reported for the alkali-based telluride material BaIn2Te4. The value is comparable with low-thermal conductivity metal chalcogenides, and the glass limit is highly intriguing. Therefore, to shed light on this issue, we performed first-principles phonon thermal transport calculations. We predicted highly anisotropic lattice thermal conductivity along different directions via the solution of the linearized phonon Boltzmann transport equation. More importantly, we determined several different factors as the main sources of the predicted ultralow lattice thermal conductivity of this crystal, such as the strong interactions between low-frequency optical phonons and acoustic phonons, small phonon group velocities, and lattice anharmonicity indicated by large negative mode Gruneisen parameters. Along with thermal transport calculations, we also investigated the electronic transport properties by accurately calculating the scattering mechanisms, namely the acoustic deformation potential, ionized impurity, and polar optical scatterings. The inclusion of spin-orbit coupling (SOC) for electronic structure is found to strongly affect the p-type Seebeck coefficients. Finally, we calculated the thermoelectric properties accurately, and the optimal ZT value of p-type doping, which originated from high Seebeck coefficients, was predicted to exceed unity after 700 K and have a direction averaged value of 1.63 (1.76 in the y-direction) at 1000 K around 2 x 1020 cm-3 hole concentration. For n-type doping, a ZT around 3.2 x 1019 cm-3 concentration was predicted to be a direction-averaged value of 1.40 (1.76 in the z-direction) at 1000 K, mostly originating from its high electron mobility. With the experimental evidence of high thermal stability, we showed that the BaIn2Te4 compound has the potential to be a promising mid- to high-temperature thermoelectric material for both p-type and n-type systems with appropriate doping. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
000918954800001 |
Publication Date |
2022-11-21 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
2469-9969; 2469-9950 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.7 |
Times cited |
|
Open Access |
OpenAccess |
| Notes |
|
Approved |
Most recent IF: 3.7 |
| Call Number |
UA @ admin @ c:irua:194384 |
Serial |
7290 |
| Permanent link to this record |
| |
|
| |
| Author |
Bogaerts, A.; Gijbels, R. |
| Title |
Comprehensive description of a Grimm-type glow discharge source used for optical emission spectrometry: a mathematical simulation |
Type |
A1 Journal article |
| Year |
1998 |
Publication |
Spectrochimica acta: part B : atomic spectroscopy |
Abbreviated Journal |
Spectrochim Acta B |
| Volume |
53 |
Issue |
|
Pages |
437-462 |
| Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| Abstract |
|
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
Oxford |
Editor |
|
| Language |
|
Wos |
000074408300006 |
Publication Date |
2002-07-26 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0584-8547; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.241 |
Times cited |
46 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 3.241; 1998 IF: 2.758 |
| Call Number |
UA @ lucian @ c:irua:19613 |
Serial |
449 |
| Permanent link to this record |
