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Author |
Dufour, T.; Minnebo, J.; Abou Rich, S.; Neyts, E.C.; Bogaerts, A.; Reniers, F. |
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Title |
Understanding polyethylene surface functionalization by an atmospheric He/O2 plasma through combined experiments and simulations |
Type |
A1 Journal article |
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Year |
2014 |
Publication |
Journal of physics: D: applied physics |
Abbreviated Journal |
J Phys D Appl Phys |
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Volume |
47 |
Issue |
22 |
Pages |
224007 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
High density polyethylene surfaces were exposed to the atmospheric post-discharge of a radiofrequency plasma torch supplied in helium and oxygen. Dynamic water contact angle measurements were performed to evaluate changes in surface hydrophilicity and angle resolved x-ray photoelectron spectroscopy was carried out to identify the functional groups responsible for wettability changes and to study their subsurface depth profiles, up to 9 nm in depth. The reactions leading to the formation of CO, C = O and OC = O groups were simulated by molecular dynamics. These simulations demonstrate that impinging oxygen atoms do not react immediately upon impact but rather remain at or close to the surface before eventually reacting. The simulations also explain the release of gaseous species in the ambient environment as well as the ejection of low molecular weight oxidized materials from the surface. |
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Place of Publication |
London |
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Wos |
000336207900008 |
Publication Date |
2014-05-14 |
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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 |
13 |
Open Access |
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Notes |
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Approved |
Most recent IF: 2.588; 2014 IF: 2.721 |
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Call Number |
UA @ lucian @ c:irua:116919 |
Serial |
3804 |
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Permanent link to this record |
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Author |
Volkova, N.E.; Lebedev, O.I.; Gavrilova, L.Y.; Turner, S.; Gauquelin, N.; Seikh, M.M.; Caignaert, V.; Cherepanov, V.A.; Raveau, B.; Van Tendeloo, G. |
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Title |
Nanoscale ordering in oxygen deficient quintuple perovskite Sm2-\epsilonBa3+\epsilonFe5O15-\delta : implication for magnetism and oxygen stoichiometry |
Type |
A1 Journal article |
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Year |
2014 |
Publication |
Chemistry of materials |
Abbreviated Journal |
Chem Mater |
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Volume |
26 |
Issue |
21 |
Pages |
6303-6310 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
The investigation of the system SmBaFe-O in air has allowed an oxygen deficient perovskite Sm2-epsilon Ba3+epsilon Fe5O15-delta (delta = 0.75, epsilon = 0.125) to be synthesized. In contrast to the XRPD pattern which gives a cubic symmetry (a(p) = 3.934 angstrom), the combined HREM/EELS study shows that this phase is nanoscale ordered with a quintuple tetragonal cell, a(p) X a(p) X 5(ap). The nanodomains exhibit a unique stacking sequence of the A-site cationic layers along the crystallographic c-axis, namely SmBaBa/SmBa/SmBaSm, and are chemically twinned in the three crystallographic directions. The nanoscale ordering of this perovskite explains its peculiar magnetic properties on the basis of antiferromagnetic interactions with spin blockade at the boundary between the nanodomains. The variation of electrical conductivity and oxygen content of this oxide versus temperature suggest potential SOFC applications. They may be related to the particular distribution of oxygen vacancies in the lattice and to the 3d(5)(L) under bar configuration of iron. |
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Wos |
000344905600029 |
Publication Date |
2014-10-07 |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0897-4756;1520-5002; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
9.466 |
Times cited |
16 |
Open Access |
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Notes |
The UrFU authors were financially supported by the Ministry of Education and Science of Russian Federation (project N 4.1039.2014/K) and by UrFU under the Framework Program of development of UrFU through the «Young scientists UrFU» competition. The CRISMAT authors gratefully acknowledge the EC, the CNRS and the French Minister of Education and Research for financial support through their Research, Strategic and Scholarship programs. This work was supported by funding from the European Research Council under the Seventh Framework Program (FP7), ERC grant N°246791 – COUNTATOMS. S.T. gratefully acknowledges the fund for scientific research Flanders for a post-doctoral fellowship and for financial support under contract number G004413N. N.G. acknowledges funding from the European Research Council under the 7th Framework Program (FP7), ERC starting grant number 278510 – VORTEX; ECASJO_; |
Approved |
Most recent IF: 9.466; 2014 IF: 8.354 |
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Call Number |
UA @ lucian @ c:irua:122137 |
Serial |
2269 |
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Permanent link to this record |
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Author |
Shakouri, K.; Vasilopoulos, P.; Vargiamidis, V.; Hai, G.-Q.; Peeters, F.M. |
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Title |
Spin- and valley-dependent commensurability oscillations and electric-field-induced quantum Hall plateaux in periodically modulated silicene |
Type |
A1 Journal article |
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Year |
2014 |
Publication |
Applied physics letters |
Abbreviated Journal |
Appl Phys Lett |
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Volume |
104 |
Issue |
21 |
Pages |
213109 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
We study the commensurability oscillations in silicene subject to a perpendicular electric field E-z, a weak magnetic field B, and a weak periodic potential V = V-0 cos(Cy); C = 2 pi/a(0) with a(0) its period. The field E-z and/or the modulation lift the spin degeneracy of the Landau levels and lead to spin and valley resolved Weiss oscillations. The spin resolution is maximal when the field E-z is replaced by a periodic one E-z = E-0 cos(Dy); D = 2 pi/b(0), while the valley one is maximal for b(0) = a(0). In certain ranges of B values, the current is fully spin or valley polarized. Additional quantum Hall conductivity plateaux arise due to spin and valley intra-Landau-level transitions. (C) 2014 AIP Publishing LLC. |
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American Institute of Physics |
Place of Publication |
New York, N.Y. |
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Wos |
000337143000047 |
Publication Date |
2014-05-30 |
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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;1077-3118; |
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 |
16 |
Open Access |
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Notes |
; The work was supported by the Flemish Science Foundation (FWO-VI), the Methusalem Foundation of the Flemish Government, and by the Canadian NSERC Grant No. OGP0121756. Also, G. Q. H. was supported by FAPESP and CNPq (Brazil). ; |
Approved |
Most recent IF: 3.411; 2014 IF: 3.302 |
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Call Number |
UA @ lucian @ c:irua:118409 |
Serial |
3078 |
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Permanent link to this record |
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Author |
Monico, L.; Janssens, K.; Vanmeert, F.; Cotte, M.; Brunetti, B.G.; van der Snickt, G.; Leeuwestein, M.; Plisson, J.S.; Menu, M.; Miliani, C. |
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Title |
Degradation process of lead chromate in paintings by Vincent van Gogh studied by means of spectromicroscopic methods : part 5 : effects of nonoriginal surface coatings into the nature and distribution of chromium and sulfur species in chrome yellow paints |
Type |
A1 Journal article |
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Year |
2014 |
Publication |
Analytical chemistry |
Abbreviated Journal |
Anal Chem |
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Volume |
86 |
Issue |
21 |
Pages |
10804-10811 |
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Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Abstract |
The darkening of lead chromate yellow pigments, caused by a reduction of the chromate ions to Cr(III) compounds, is known to affect the appearance of several paintings by Vincent van Gogh. In previous papers of this series, we demonstrated that the darkening is activated by light and depends on the chemical composition and crystalline structure of the pigments. In this work, the results of Part 2 are extended and complemented with a new study aimed at deepening the knowledge of the nature and distribution of Cr and S species at the interface between the chrome yellow paint and the nonoriginal coating layer. For this purpose, three microsamples from two varnished paintings by Van Gogh and a waxed low relief by Gauguin (all originally uncoated) have been examined. Because nonoriginal coatings are often present in artwork by Van Gogh and contemporaries, the understanding of whether or not their application has influenced the morphological and/or physicochemical properties of the chrome yellow paint underneath is relevant in view of the conservation of these masterpieces. In all the samples studied, microscopic X-ray fluorescence (mu-XRF) and X-ray absorption near edge structure (mu-XANES) investigations showed that Cr(III)-based alteration products are present in the form of grains inside the coating (generally enriched of S species) and also homogeneously widespread at the paint surface. The distribution of Cr(III) species may be explained by the mechanical friction caused by the coating application by brush that picked up and redistributed the superficial Cr compounds, likely already present in the reduced state as result of the photodegradation process. The analysis of the XANES profiles allowed us to obtain new insights into the nature of the Cr(III) alteration products, that were identified as sulfate-, oxide-, organo-metal-, and chloride-based compounds. Building upon the knowledge acquired through the examination of original paint samples and from the investigation of aged model paints in the last Part 4 paper, in this study we aim to characterize a possible relation between the chemical composition of the coating and the chrome yellow degradation pathways by studying photochemically aged model samples covered with a dammar varnish contaminated with sulfide and sulfate salts. Cr speciation results did not show any evidence of the active role of the varnish and added S species on the reduction process of chrome yellows. |
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Wos |
000344510200043 |
Publication Date |
2014-10-10 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0003-2700; 5206-882x |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
6.32 |
Times cited |
25 |
Open Access |
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Notes |
; This research was supported by the Italian projects PRIN (SICH) and PON (ITACHA). The text also presents results from Interuniversity Attraction Poles Programme Belgian Science Policy (S2-ART project S4DA), GOA “XANES meets ELNES” (Research Fund University of Antwerp, Belgium) and FWO (Brussels, Belgium) projects no. G.0704.08 and G.01769.09. ESRF is acknowledged for the grants received (experiments EC-799 and EC-1051). L.M. acknowledges the CNR for the financial support received in the framework of the Short Term Mobility Programme 2013. Thanks are expressed to Ella Hendriks (Van Gogh Museum, Amsterdam) and Muriel Geldof (Cultural Heritage Agency of The Netherlands) for selecting and sharing the information on the cross-section taken from Bank of the Seine. All the staff of the Van Gogh Museum, the Kroller-Muller Museum, and the Musee d'Orsay are acknowledged for the agreeable cooperation. ; |
Approved |
Most recent IF: 6.32; 2014 IF: 5.636 |
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Call Number |
UA @ admin @ c:irua:122100 |
Serial |
5570 |
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Permanent link to this record |
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Author |
Damm, H.; Adriaensens, P.; De Dobbelaere, C.; Capon, B.; Elen, K.; Drijkoningen, J.; Conings, B.; Manca, J.V.; D’Haen, J.; Detavernier, C.; Magusin, P.C.M.M.; Hadermann, J.; Hardy, A.; Van Bael, M.K.; |
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Title |
Factors Influencing the Conductivity of Aqueous Sol(ution)-Gel-Processed Al-Doped ZnO Films |
Type |
A1 Journal article |
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Year |
2014 |
Publication |
Chemistry of materials |
Abbreviated Journal |
Chem Mater |
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Volume |
26 |
Issue |
20 |
Pages |
5839-5851 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Wos |
000343950300004 |
Publication Date |
2014-10-06 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0897-4756;1520-5002; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
9.466 |
Times cited |
24 |
Open Access |
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Notes |
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Approved |
Most recent IF: 9.466; 2014 IF: 8.354 |
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Call Number |
UA @ lucian @ c:irua:121211 |
Serial |
1170 |
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Permanent link to this record |
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Author |
Çakir, D.; Peeters, F.M.; Sevik, C. |
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Title |
Mechanical and thermal properties of h-MX2 (M = Cr, Mo, W; X = O, S, Se, Te) monolayers : a comparative study |
Type |
A1 Journal article |
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Year |
2014 |
Publication |
Applied physics letters |
Abbreviated Journal |
Appl Phys Lett |
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Volume |
104 |
Issue |
20 |
Pages |
203110 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Using density functional theory, we obtain the mechanical and thermal properties of MX2 monolayers (where M = Cr, Mo, W and X = O, S, Se, Te). The C-centered phonon frequencies (i.e., A(1), A(2)'', E ', and E ''), relative frequency values of A(1), and E ' modes, and mechanical properties (i.e., elastic constants, Young modulus, and Poisson's ratio) display a strong dependence on the type of metal and chalcogenide atoms. In each chalcogenide (metal) group, transition-metal dichalcogenides (TMDCs) with W (O) atom are found to be much stiffer. Consistent with their stability, the thermal expansion of lattice constants for TMDCs with O (Te) is much slower (faster). Furthermore, in a heterostructure of these materials, the difference of the thermal expansion of lattice constants between the individual components becomes quite tiny over the whole temperature range. The calculated mechanical and thermal properties show that TMDCs are promising materials for heterostructures. (C) 2014 AIP Publishing LLC. |
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Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
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Language |
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Wos |
000337140800063 |
Publication Date |
2014-05-24 |
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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;1077-3118; |
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 |
130 |
Open Access |
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Notes |
; Cem Sevik acknowledges the support from Scientific and Technological Research Council of Turkey (TUBITAK-113F096) and Anadolu University (BAP-1306F261 and -1306F281) to this project. We would also like to thank the ULAKBIM High Performance and Grid Computing Center for a generous time allocation for our projects. D. C. was supported by a FWO Pegasus-short Marie Curie Fellowship. Part of this work was supported by the Methusalem foundation of the Flemish Government. ; |
Approved |
Most recent IF: 3.411; 2014 IF: 3.302 |
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Call Number |
UA @ lucian @ c:irua:118379 |
Serial |
1974 |
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Permanent link to this record |
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Author |
Esfahani, D.N.; Covaci, L.; Peeters, F.M. |
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Title |
Nonlinear response to electric field in extended Hubbard models |
Type |
A1 Journal article |
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Year |
2014 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
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Volume |
90 |
Issue |
20 |
Pages |
205121 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
The electric-field response of a one-dimensional ring of interacting fermions, where the interactions are described by the extended Hubbard model, is investigated. By using an accurate real-time propagation scheme based on the Chebyshev expansion of the evolution operator, we uncover various nonlinear regimes for a range of interaction parameters that allows modeling of metallic and insulating (either charge density wave or spin density wave insulators) rings. The metallic regime appears at the phase boundary between the two insulating phases and provides the opportunity to describe either weakly or strongly correlated metals. We find that the fidelity susceptibility of the ground state as a function of magnetic flux piercing the ring provides a very good measure of the short-time response. Even completely different interacting regimes behave in a similar manner at short time scales as long as the ground-state fidelity susceptibility is the same. Depending on the strength of the electric field we find various types of responses: persistent currents in the insulating phase, a dissipative regime, or damped Bloch-like oscillations with varying frequencies or even irregular in nature. Furthermore, we also consider the dimerization of the ring and describe the response of a correlated band insulator. In this case the distribution of the energy levels is more clustered and the Bloch-like oscillations become even more irregular. |
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Wos |
000345423300002 |
Publication Date |
2014-11-15 |
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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 |
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 |
3 |
Open Access |
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Notes |
; This work was supported by the Flemish Science Foundation (Fonds Wetenschappelijk Onderzoek – FWO) and the Methusalem program of the Flemish government. One of us (L. C.) receives support as a postdoctoral fellow of the FWO. ; |
Approved |
Most recent IF: 3.836; 2014 IF: 3.736 |
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Call Number |
UA @ lucian @ c:irua:122204 |
Serial |
2355 |
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Permanent link to this record |
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Author |
Bal, K.M.; Neyts, E.C. |
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Title |
On the time scale associated with Monte Carlo simulations |
Type |
A1 Journal article |
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Year |
2014 |
Publication |
The journal of chemical physics |
Abbreviated Journal |
J Chem Phys |
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Volume |
141 |
Issue |
20 |
Pages |
204104 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
Uniform-acceptance force-bias Monte Carlo (fbMC) methods have been shown to be a powerful technique to access longer timescales in atomistic simulations allowing, for example, phase transitions and growth. Recently, a new fbMC method, the time-stamped force-bias Monte Carlo (tfMC) method, was derived with inclusion of an estimated effective timescale; this timescale, however, does not seem able to explain some of the successes the method. In this contribution, we therefore explicitly quantify the effective timescale tfMC is able to access for a variety of systems, namely a simple single-particle, one-dimensional model system, the Lennard-Jones liquid, an adatom on the Cu(100) surface, a silicon crystal with point defects and a highly defected graphene sheet, in order to gain new insights into the mechanisms by which tfMC operates. It is found that considerable boosts, up to three orders of magnitude compared to molecular dynamics, can be achieved for solid state systems by lowering of the apparent activation barrier of occurring processes, while not requiring any system-specific input or modifications of the method. We furthermore address the pitfalls of using the method as a replacement or complement of molecular dynamics simulations, its ability to explicitly describe correct dynamics and reaction mechanisms, and the association of timescales to MC simulations in general. |
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Place of Publication |
New York, N.Y. |
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Language |
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Wos |
000345641400005 |
Publication Date |
2014-11-26 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0021-9606;1089-7690; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.965 |
Times cited |
26 |
Open Access |
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Notes |
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Approved |
Most recent IF: 2.965; 2014 IF: 2.952 |
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Call Number |
UA @ lucian @ c:irua:120667 |
Serial |
2459 |
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Author |
Grujić, M.M.; Tadić, M.Z.; Peeters, F.M. |
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Title |
Orbital magnetic moments in insulating Dirac systems : impact on magnetotransport in graphene van der Waals heterostructures |
Type |
A1 Journal article |
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Year |
2014 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
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Volume |
90 |
Issue |
20 |
Pages |
205408 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
In honeycomb Dirac systems with broken inversion symmetry, orbital magnetic moments coupled to the valley degree of freedom arise due to the topology of the band structure, leading to valley-selective optical dichroism. On the other hand, in Dirac systems with prominent spin-orbit coupling, similar orbital magnetic moments emerge as well. These moments are coupled to spin, but otherwise have the same functional form as the moments stemming from spatial inversion breaking. After reviewing the basic properties of these moments, which are relevant for a whole set of newly discovered materials, such as silicene and germanene, we study the particular impact that these moments have on graphene nanoengineered barriers with artificially enhanced spin-orbit coupling. We examine transmission properties of such barriers in the presence of a magnetic field. The orbital moments are found to manifest in transport characteristics through spin-dependent transmission and conductance, making them directly accessible in experiments. Moreover, the Zeeman-type effects appear without explicitly incorporating the Zeeman term in the models, i.e., by using minimal coupling and Peierls substitution in continuum and the tight-binding methods, respectively. We find that a quasiclassical view is able to explain all the observed phenomena. |
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Wos |
000344915800009 |
Publication Date |
2014-11-10 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
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 |
5 |
Open Access |
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Notes |
; This work was supported by the Ministry of Education, Science and Technological Development (Serbia), and the Fonds Wetenschappelijk Onderzoek (Belgium). ; |
Approved |
Most recent IF: 3.836; 2014 IF: 3.736 |
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Call Number |
UA @ lucian @ c:irua:122141 |
Serial |
2497 |
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Permanent link to this record |
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Author |
Engelmann; Bogaerts, A.; Neyts, E.C. |
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Title |
Thermodynamics at the nanoscale: phase diagrams of nickel-carbon nanoclusters and equilibrium constants for phase transitions |
Type |
A1 Journal article |
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Year |
2014 |
Publication |
Nanoscale |
Abbreviated Journal |
Nanoscale |
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Volume |
6 |
Issue |
20 |
Pages |
11981-11987 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
Using reactive molecular dynamics simulations, the melting behavior of nickel-carbon nanoclusters is examined. The phase diagrams of icosahedral and Wulff polyhedron clusters are determined using both the Lindemann index and the potential energy. Formulae are derived for calculating the equilibrium constants and the solid and liquid fractions during a phase transition, allowing more rational determination of the melting temperature with respect to the arbitrary Lindemann value. These results give more insight into the properties of nickel-carbon nanoclusters in general and can specifically be very useful for a better understanding of the synthesis of carbon nanotubes using the catalytic chemical vapor deposition method. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Cambridge |
Editor |
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Language |
|
Wos |
000343000800049 |
Publication Date |
2014-07-24 |
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Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
2040-3364;2040-3372; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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|
Impact Factor |
7.367 |
Times cited |
20 |
Open Access |
|
|
|
Notes |
|
Approved |
Most recent IF: 7.367; 2014 IF: 7.394 |
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Call Number |
UA @ lucian @ c:irua:121106 |
Serial |
3637 |
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Permanent link to this record |
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Author |
Çakir, D.; Sahin, H.; Peeters, F.M. |
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Title |
Tuning of the electronic and optical properties of single-layer black phosphorus by strain |
Type |
A1 Journal article |
|
Year |
2014 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
|
|
Volume |
90 |
Issue |
20 |
Pages |
205421 |
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|
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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|
Abstract |
Using first principles calculations we showed that the electronic and optical properties of single-layer black phosphorus (BP) depend strongly on the applied strain. Due to the strong anisotropic atomic structure of BP, its electronic conductivity and optical response are sensitive to the magnitude and the orientation of the applied strain. We found that the inclusion of many body effects is essential for the correct description of the electronic properties of monolayer BP; for example, while the electronic gap of strainless BP is found to be 0.90 eV by using semilocal functionals, it becomes 2.31 eV when many-body effects are taken into account within the G(0)W(0) scheme. Applied tensile strain was shown to significantly enhance electron transport along zigzag direction of BP. Furthermore, biaxial strain is able to tune the optical band gap of monolayer BP from 0.38 eV (at -8% strain) to 2.07 eV (at 5.5%). The exciton binding energy is also sensitive to the magnitude of the applied strain. It is found to be 0.40 eV for compressive biaxial strain of -8%, and it becomes 0.83 eV for tensile strain of 4%. Our calculations demonstrate that the optical response of BP can be significantly tuned using strain engineering which appears as a promising way to design novel photovoltaic devices that capture a broad range of solar spectrum. |
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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 |
000345642000015 |
Publication Date |
2014-11-17 |
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Series Editor |
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Series Title |
|
Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
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|
ISSN |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.836 |
Times cited |
219 |
Open Access |
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|
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), and HPC infrastructure of the University of Antwerp (CalcUA) a division of the Flemish Supercomputer Center (VSC), which is funded by the Hercules foundation. H.S. is supported by a FWO Pegasus Marie Curie-long Fellowship. D.C. is supported by a FWO Pegasus-short Marie Curie Fellowship. ; |
Approved |
Most recent IF: 3.836; 2014 IF: 3.736 |
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Call Number |
UA @ lucian @ c:irua:122203 |
Serial |
3752 |
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Permanent link to this record |
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Author |
Charkin, D.O.; Demchyna, R.; Prots, Y.; Borrmann, H.; Burkhardt, U.; Schwarz, U.; Schnelle, W.; Plokhikh, I.V.; Kazakov, S.M.; Abakumov, A.M.; Batuk, D.; Verchenko, V.Y.; Tsirlin, A.A.; Curfs, C.; Grin, Y.; Shevelkov, A.V.; |
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Title |
Two New Arsenides, Eu7Cu44As23 and Sr7Cu44As23, With a New Filled Variety of the BaHg11 Structure |
Type |
A1 Journal article |
|
Year |
2014 |
Publication |
Inorganic chemistry |
Abbreviated Journal |
Inorg Chem |
|
|
Volume |
53 |
Issue |
20 |
Pages |
11173-11184 |
|
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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|
Abstract |
Two new ternary arsenides, namely, Eu7Cu44As23 and Sr7Cu44As23, were synthesized from elements at 800 degrees C. Their crystal structure represents a new filled version of the BaHg11 motif with cubic voids alternately occupied by Eu(Sr) and As atoms, resulting in a 2 x 2 x 2 superstructure of the aristotype: space group Fm (3) over barm, a = 16.6707(2) angstrom and 16.7467(2) angstrom, respectively. The Eu derivative exhibits ferromagnetic ordering below 17.5 K. In agreement with band structure calculations both compounds are metals, exhibiting relatively low thermopower, but high electrical and low thermal conductivity. |
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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 |
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Wos |
000343527700049 |
Publication Date |
2014-09-29 |
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Series Editor |
|
Series Title |
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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 |
9 |
Open Access |
|
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|
Notes |
|
Approved |
Most recent IF: 4.857; 2014 IF: 4.762 |
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Call Number |
UA @ lucian @ c:irua:121141 |
Serial |
3784 |
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Permanent link to this record |
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Author |
Snoeck, E.; Van Tendeloo, G. |
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Title |
Networking strategies of the microscopy community for improved utilisation of advanced instruments : (3) two European initiatives to support TEM infrastructures and promote electron microscopy over Europe, ESTEEM (20062011) and ESTEEM 2 (20122016) |
Type |
A1 Journal article |
|
Year |
2014 |
Publication |
Comptes rendus : physique |
Abbreviated Journal |
Cr Phys |
|
|
Volume |
15 |
Issue |
2-3 |
Pages |
281-284 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
The ESTEEM consortium of electron microscopy laboratories for materials science and solid-state physics has been created as an EU-supported delocalized infrastructure (I3) to bring together the major electron microscopy centres in Europe. Its main objectives were to develop networking, to offer transnational access to these centres with specialized and complementary techniques and skills and to upgrade in close collaboration different technical and methodological aspects such as tomography, spectroscopy, holography, detectors, and specimen holders. These efforts were aimed to strengthen the position of European microscopy and to generate new technologies potentially of high relevance in many domains identified as strategic. Following the success of the first program, ESTEEM has been reconducted in 2012 for four more years with an enlarged set of partners. |
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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 |
Paris |
Editor |
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Language |
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Wos |
000334013600017 |
Publication Date |
2014-01-24 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
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|
ISSN |
1631-0705; |
ISBN |
|
Additional Links |
UA library record; WoS full record |
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|
Impact Factor |
2.048 |
Times cited |
|
Open Access |
|
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Notes |
|
Approved |
Most recent IF: 2.048; 2014 IF: 2.035 |
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Call Number |
UA @ lucian @ c:irua:115550 |
Serial |
2293 |
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Permanent link to this record |
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Author |
Bals, S.; Goris, B.; Altantzis, T.; Heidari, H.; Van Aert, S.; Van Tendeloo, G. |
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Title |
Seeing and measuring in 3D with electrons |
Type |
A1 Journal article |
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Year |
2014 |
Publication |
Comptes rendus : physique |
Abbreviated Journal |
Cr Phys |
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Volume |
15 |
Issue |
2-3 |
Pages |
140-150 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
Modern TEM enables the investigation of nanostructures at the atomic scale. However, TEM images are only two-dimensional (2D) projections of a three-dimensional (3D) object. Electron tomography can overcome this limitation. The technique is increasingly focused towards quantitative measurements and reaching atomic resolution in 3D has been the ultimate goal for many years. Therefore, one needs to optimize the acquisition of the data, the 3D reconstruction techniques as well as the quantification methods. Here, we will review a broad range of methodologies and examples. Finally, we will provide an outlook and will describe future challenges in the field of electron tomography. |
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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 |
Paris |
Editor |
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Language |
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Wos |
000334013600005 |
Publication Date |
2014-01-20 |
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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 |
|
Series Issue |
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Edition |
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ISSN |
1631-0705; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.048 |
Times cited |
15 |
Open Access |
OpenAccess |
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Notes |
(FWO;Belgium); European Research Council under the 7th Framework Program (FP7); ERC grant No.246791 – COUNTATOMS; ERC grant No.335078 – COLOURATOMS; ECAS_Sara; (ROMEO:green; preprint:; postprint:can ; pdfversion:cannot); |
Approved |
Most recent IF: 2.048; 2014 IF: 2.035 |
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Call Number |
UA @ lucian @ c:irua:113855 |
Serial |
2960 |
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Permanent link to this record |
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Author |
Verbeeck, J.; Guzzinati, G.; Clark, L.; Juchtmans, R.; Van Boxem, R.; Tian, H.; Béché, A.; Lubk, A.; Van Tendeloo, G. |
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Title |
Shaping electron beams for the generation of innovative measurements in the (S)TEM |
Type |
A1 Journal article |
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Year |
2014 |
Publication |
Comptes rendus : physique |
Abbreviated Journal |
Cr Phys |
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Volume |
15 |
Issue |
2-3 |
Pages |
190-199 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
In TEM, a typical goal consists of making a small electron probe in the sample plane in order to obtain high spatial resolution in scanning transmission electron microscopy. In order to do so, the phase of the electron wave is corrected to resemble a spherical wave compensating for aberrations in the magnetic lenses. In this contribution, we discuss the advantage of changing the phase of an electron wave in a specific way in order to obtain fundamentally different electron probes opening up new applications in the (S)TEM. We focus on electron vortex states as a specific family of waves with an azimuthal phase signature and discuss their properties, production and applications. The concepts presented here are rather general and also different classes of probes can be obtained in a similar fashion, showing that electron probes can be tuned to optimize a specific measurement or interaction. |
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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 |
Paris |
Editor |
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Language |
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Wos |
000334013600009 |
Publication Date |
2014-02-01 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1631-0705; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.048 |
Times cited |
22 |
Open Access |
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Notes |
Vortex ECASJO_; |
Approved |
Most recent IF: 2.048; 2014 IF: 2.035 |
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Call Number |
UA @ lucian @ c:irua:116946UA @ admin @ c:irua:116946 |
Serial |
2992 |
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Permanent link to this record |
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Author |
Borovinskaya, O.; Aghaei, M.; Flamigni, L.; Hattendorf, B.; Tanner, M.; Bogaerts, A.; Günther, D. |
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Title |
Diffusion- and velocity-driven spatial separation of analytes from single droplets entering an ICP off-axis |
Type |
A1 Journal article |
|
Year |
2014 |
Publication |
Journal of analytical atomic spectrometry |
Abbreviated Journal |
J Anal Atom Spectrom |
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Volume |
29 |
Issue |
2 |
Pages |
262-271 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
The reproducible temporal separation of ion signals generated from a single multi-element droplet, observed in previous studies, was investigated in detail in this work using an ICPTOFMS with high temporal resolution. It was shown that the signal peak intensities of individual elements temporally shift relative to each other only for droplets moving through the plasma off-axis. The magnitude of these shifts correlated with the vaporization temperatures of the analytes and depended on the radial position of the droplets as well as on the thermal properties and velocity profiles of the carrier gases of the ICP. The occurrence of the signal shifting was explained by a spatial separation of analytes already present in the vapor phase in the ICP from a yet unvaporized residue of the droplet. This separation is most likely driven by anisotropic diffusion of vaporized analytes towards the plasma axis and a radial velocity gradient. The proposed explanation is supported by modeling of the gas velocities inside the ICP and imaging of the atomic and ionic emissions produced from single droplets, whose patterns were sloping towards the center of the torch. The effects observed in these studies are important not only for the fundamental understanding of analyteplasma interactions but have also a direct impact on the signal intensities and stability. |
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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 |
000329934000006 |
Publication Date |
2013-11-02 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
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ISSN |
0267-9477;1364-5544; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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|
Impact Factor |
3.379 |
Times cited |
18 |
Open Access |
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Notes |
|
Approved |
Most recent IF: 3.379; 2014 IF: 3.466 |
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Call Number |
UA @ lucian @ c:irua:112897 |
Serial |
697 |
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Permanent link to this record |
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Author |
de Backer, W.; Vos, W.; Van Holsbeke, C.; Vinchurkar, S.; Claes, R.; Hufkens, A.; Parizel, P.M.; Bedert, L.; de Backer, J. |
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Title |
The effect of roflumilast in addition to LABA/LAMA/ICS treatment in COPD patients |
Type |
L1 Letter to the editor |
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Year |
2014 |
Publication |
European Respiratory Journal |
Abbreviated Journal |
Eur Respir J |
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Volume |
44 |
Issue |
2 |
Pages |
527-529 |
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Keywords |
L1 Letter to the editor; Biophysics and Biomedical Physics; Condensed Matter Theory (CMT); Antwerp Surgical Training, Anatomy and Research Centre (ASTARC); Laboratory Experimental Medicine and Pediatrics (LEMP) |
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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 |
Copenhagen |
Editor |
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Language |
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Wos |
000340017300029 |
Publication Date |
2014-05-03 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0903-1936;1399-3003; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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|
Impact Factor |
10.569 |
Times cited |
26 |
Open Access |
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Notes |
; ; |
Approved |
Most recent IF: 10.569; 2014 IF: 7.636 |
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Call Number |
UA @ lucian @ c:irua:117335 |
Serial |
832 |
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Permanent link to this record |
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Author |
Aghaei, M.; Flamigni, L.; Lindner, H.; Günther, D.; Bogaerts, A. |
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Title |
Occurrence of gas flow rotational motion inside the ICP torch : a computational and experimental study |
Type |
A1 Journal article |
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Year |
2014 |
Publication |
Journal of analytical atomic spectrometry |
Abbreviated Journal |
J Anal Atom Spectrom |
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Volume |
29 |
Issue |
2 |
Pages |
249-261 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
An inductively coupled plasma, connected to the sampling cone of a mass spectrometer, is computationally investigated. The occurrence of rotational motion of the auxiliary and carrier gas flows is studied. The effects of operating parameters, i.e., applied power and gas flow rates, as well as geometrical parameters, i.e., sampler orifice diameter and injector inlet diameter, are investigated. Our calculations predict that at higher applied power the auxiliary and carrier gas flows inside the torch move more forward to the sampling cone, which is validated experimentally for the auxiliary gas flow, by means of an Elan 6000 ICP-MS. Furthermore, an increase of the gas flow rates can also modify the occurrence of rotational motion. This is especially true for the carrier gas flow rate, which has a more pronounced effect to reduce the backward motion than the flow rates of the auxiliary and cooling gas. Moreover, a larger sampler orifice (e.g., 2 mm instead of 1 mm) reduces the backward flow of the auxiliary gas path lines. Finally, according to our model, an injector inlet of 2 mm diameter causes more rotations in the carrier gas flow than an injector inlet diameter of 1.5 mm, which can be avoided again by changing the operating parameters. |
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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 |
000329934000005 |
Publication Date |
2013-11-14 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
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ISSN |
0267-9477;1364-5544; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
3.379 |
Times cited |
21 |
Open Access |
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|
Notes |
|
Approved |
Most recent IF: 3.379; 2014 IF: 3.466 |
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Call Number |
UA @ lucian @ c:irua:112896 |
Serial |
2427 |
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Permanent link to this record |
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Author |
El-Gogary, R.I.; Rubio, N.; Wang, J.T.W.; Al-Jamal, W.T.; Bourgognon, M.; Kafa, H.; Naeem, M.; Klippstein, R.; Abbate, V.; Leroux, F.; Bals, S.; Van Tendeloo, G.; Kamel, A.O.; Awad, G.A.S.; Mortada, N.D.; Al-Jamal, K.T.; |
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Title |
Polyethylene glycol conjugated polymeric nanocapsules for targeted delivery of quercetin to folate-expressing cancer cells in vitro and in vivo |
Type |
A1 Journal article |
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Year |
2014 |
Publication |
ACS nano |
Abbreviated Journal |
Acs Nano |
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Volume |
8 |
Issue |
2 |
Pages |
1384-1401 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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Abstract |
In this work we describe the formulation and characterization of chemically modified polymeric nanocapsules incorporating the anticancer drug, quercetin, for the passive and active targeting to tumors. Folic acid was conjugated to poly(lactide-co-glycolide) (PLGA) polymer to facilitate active targeting to cancer cells. Two different methods for the conjugation of PLGA to folic acid were employed utilizing polyethylene glycol (PEG) as a spacer. Characterization of the conjugates was performed using FTIR and H-1 NMR studies. The PEG and folk acid content was independent of the conjugation methodology employed. PEGylation has shown to reduce the size of the nanocapsule; moreover, zeta-potential was shown to be polymer-type dependent. Comparative studies on the cytotoxicity and cellular uptake of the different formulations by He La cells, in the presence and absence of excess folic acid, were carried out using MTT assay and Confocal Laser Scanning Microscopy, respectively. Both results confirmed the selective uptake and cytotoxicity of the folic acid targeted nanocapsules to the folate enriched cancer cells in a folate-dependent manner. Finally, the passive tumor accumulation and the active targeting of the nanocapsules to folate-expressing cells were confirmed upon intravenous administration in He La or IGROV-1 tumor-bearing mice. The developed nanocapsules provide a system for targeted delivery of a range of hydrophobic anticancer drugs in vivo. |
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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 |
000332059200032 |
Publication Date |
2014-01-07 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
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Edition |
|
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ISSN |
1936-0851;1936-086X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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|
Impact Factor |
13.942 |
Times cited |
144 |
Open Access |
Not_Open_Access |
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|
Notes |
290023 Raddel; 262348 Esmi; Iap-Pai |
Approved |
Most recent IF: 13.942; 2014 IF: 12.881 |
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Call Number |
UA @ lucian @ c:irua:115862 |
Serial |
2670 |
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Permanent link to this record |
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Author |
Yusupov, M.; Neyts, E.C.; Simon, P.; Berdiyorov, G.; Snoeckx, R.; van Duin, A.C.T.; Bogaerts, A. |
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Title |
Reactive molecular dynamics simulations of oxygen species in a liquid water layer of interest for plasma medicine |
Type |
A1 Journal article |
|
Year |
2014 |
Publication |
Journal of physics: D: applied physics |
Abbreviated Journal |
J Phys D Appl Phys |
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Volume |
47 |
Issue |
2 |
Pages |
025205-25209 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
The application of atmospheric pressure plasmas in medicine is increasingly gaining attention in recent years, although very little is currently known about the plasma-induced processes occurring on the surface of living organisms. It is known that most bio-organisms, including bacteria, are coated by a liquid film surrounding them, and there might be many interactions between plasma species and the liquid layer before the plasma species reach the surface of the bio-organisms. Therefore, it is essential to study the behaviour of the reactive species in a liquid film, in order to determine whether these species can travel through this layer and reach the biomolecules, or whether new species are formed along the way. In this work, we investigate the interaction of reactive oxygen species (i.e. O, OH, HO2 and H2O2) with water, which is assumed as a simple model system for the liquid layer surrounding biomolecules. Our computational investigations show that OH, HO2 and H2O2 can travel deep into the liquid layer and are hence in principle able to reach the bio-organism. Furthermore, O, OH and HO2 radicals react with water molecules through hydrogen-abstraction reactions, whereas no H-abstraction reaction takes place in the case of H2O2. This study is important to gain insight into the fundamental operating mechanisms in plasma medicine, in general, and the interaction mechanisms of plasma species with a liquid film, in particular. |
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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 |
000329108000013 |
Publication Date |
2013-12-13 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
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 |
51 |
Open Access |
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|
|
Notes |
|
Approved |
Most recent IF: 2.588; 2014 IF: 2.721 |
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Call Number |
UA @ lucian @ c:irua:112286 |
Serial |
2823 |
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Permanent link to this record |
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Author |
Abakumov, A.M.; Erni, R.; Tsirlin, A.A. |
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Title |
Reply to Comment on “Frustrated octahedral tilting distortion in the incommensurately modulated Li3xNd2/3-xTiO3 perovskites” |
Type |
Editorial |
|
Year |
2014 |
Publication |
Chemistry of materials |
Abbreviated Journal |
Chem Mater |
|
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Volume |
26 |
Issue |
2 |
Pages |
1288 |
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Keywords |
Editorial; 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 |
Washington, D.C. |
Editor |
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Language |
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Wos |
000330543600051 |
Publication Date |
2014-01-03 |
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Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
0897-4756;1520-5002; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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|
Impact Factor |
9.466 |
Times cited |
1 |
Open Access |
|
|
|
Notes |
|
Approved |
Most recent IF: 9.466; 2014 IF: 8.354 |
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Call Number |
UA @ lucian @ c:irua:115730 |
Serial |
2874 |
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Permanent link to this record |
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Author |
Sobrino Fernandez, M.; Misko, V.R.; Peeters, F.M. |
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Title |
Self-assembly of Janus particles confined in a channel |
Type |
A1 Journal article |
|
Year |
2014 |
Publication |
Physical review : E : statistical, nonlinear, and soft matter physics |
Abbreviated Journal |
Phys Rev E |
|
|
Volume |
89 |
Issue |
2 |
Pages |
022306-6 |
|
|
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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|
Abstract |
Janus particles present an important class of building blocks for directional assembly. These are compartmentalized colloids with two different hemispheres. Here, we consider a two-dimensional model of Janus disks consisting of a hydrophobic semicircle and an electro-negatively charged one. Placed in a solution, the hydrophobic sides will attract each other while the charged sides will give rise to a repulsive force. Using molecular dynamics simulations, we study the morphology of these particles when confined in a channel-like environment using a one dimensional harmonic confinement potential. The interest to this system is first of all due to the fact that it could serve as a simple model for membrane formation. Indeed, the recently synthesized new class of artificial amphiphiles, known as Janus dendrimers, were shown to self-assemble in bilayer structures mimicking biological membranes. In turn, Janus particles that combine the amphiphilicity and colloidal rigidity serve as a good model for Janus dendrimers. A variety of ordered membrane-like morphologies are found consisting of single and multiple chain configurations with different orientations of the particles with respect to each other that we summarize in a phase diagram. |
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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 |
Woodbury (NY) |
Editor |
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Language |
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Wos |
000332179900009 |
Publication Date |
2014-02-21 |
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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 |
|
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|
ISSN |
1539-3755;1550-2376; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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|
Impact Factor |
2.366 |
Times cited |
11 |
Open Access |
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|
Notes |
; This work was supported by the Flemish Science Foundation (FWO-Vl) and by the “Odysseus” program of the Flemish government and FWO-Vl. ; |
Approved |
Most recent IF: 2.366; 2014 IF: 2.288 |
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Call Number |
UA @ lucian @ c:irua:115858 |
Serial |
2971 |
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Permanent link to this record |
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Author |
Berdiyorov, G.R.; Neek-Amal, M.; Peeters, F.M.; van Duin, A.C.T. |
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Title |
Stabilized silicene within bilayer graphene : a proposal based on molecular dynamics and density-functional tight-binding calculations |
Type |
A1 Journal article |
|
Year |
2014 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
|
|
Volume |
89 |
Issue |
2 |
Pages |
024107-6 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Freestanding silicene is predicted to display comparable electronic properties as graphene. However, the yet synthesized silicenelike structures have been only realized on different substrates which turned out to exhibit versatile crystallographic structures that are very different from the theoretically predicted buckled phase of freestanding silicene. This calls for a different approach where silicene is stabilized using very weakly interacting surfaces. We propose here a route by using graphene bilayer as a scaffold. The confinement between the flat graphene layers results in a planar clustering of Si atoms with small buckling, which is energetically unfavorable in vacuum. Buckled hexagonal arrangement of Si atoms similar to freestanding silicene is observed for large clusters, which, in contrast to Si atoms on metallic surfaces, is only very weakly van der Waals coupled to the graphene layers. These clusters are found to be stable well above room temperature. Our findings, which are supported by density-functional tight-binding calculations, show that intercalating bilayer graphene with Si is a favorable route to realize silicene. |
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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 |
000332226200002 |
Publication Date |
2014-01-24 |
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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 |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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|
Impact Factor |
3.836 |
Times cited |
43 |
Open Access |
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|
Notes |
; This work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem Foundation of the Flemish Government. M.N.-A. was supported by the EU-Marie Curie IIF postdoc Fellowship/299855. One of us (F. M. P.) acknowledges discussions with Professor Hongjun Gao. G. R. B acknowledges the support of the King Fahd University of Petroleum and Minerals, Saudi Arabia, under the TPRG131-CS-15 DSR project. A.C.T.vD acknowledges funding from AFOSR Grants No. FA9550-10-1-0563 and No. FA9550-11-1-0158. ; |
Approved |
Most recent IF: 3.836; 2014 IF: 3.736 |
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Call Number |
UA @ lucian @ c:irua:115829 |
Serial |
3140 |
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Permanent link to this record |
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Author |
Masenelli-Varlot, K.; Malchere, A.; Ferreira, J.; Heidari Mezerji, H.; Bals, S.; Messaoudi, C.; Garrido, S.M. |
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Title |
Wet-STEM tomography : principles, potentialities and limitations |
Type |
A1 Journal article |
|
Year |
2014 |
Publication |
Microscopy and microanalysis |
Abbreviated Journal |
Microsc Microanal |
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Volume |
20 |
Issue |
2 |
Pages |
366-375 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
The characterization of biological and inorganic materials by determining their three-dimensional structure in conditions closer to their native state is a major challenge of technological research. Environmental scanning electron microscopy (ESEM) provides access to the observation of hydrated samples in water environments. Here, we present a specific device for ESEM in the scanning transmission electron microscopy mode, allowing the acquisition of tilt-series suitable for tomographic reconstructions. The resolution which can be obtained with this device is first determined. Then, we demonstrate the feasibility of tomography on wet materials. The example studied here is hydrophilic mesoporous silica (MCM-41). Finally, the minimum thickness of water which can be detected is calculated from Monte Carlo simulations and compared with the resolution expected in the tomograms. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Cambridge, Mass. |
Editor |
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Language |
|
Wos |
000337304700005 |
Publication Date |
2014-02-26 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
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ISSN |
1431-9276;1435-8115; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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|
Impact Factor |
1.891 |
Times cited |
9 |
Open Access |
OpenAccess |
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Notes |
IAP-PAI; European Research Council under the 7th Framework Program (FP7); ERC grant no. 335078-COLOURATOMS.; ECAS_Sara; (ROMEO:green; preprint:; postprint:can ; pdfversion:cannot); |
Approved |
Most recent IF: 1.891; 2014 IF: 1.877 |
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Call Number |
UA @ lucian @ c:irua:118411 |
Serial |
3915 |
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Permanent link to this record |
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Author |
Gillis, S.; Jaykka, J.; Milošević, M.V. |
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Title |
Vortex states in mesoscopic three-band superconductors |
Type |
A1 Journal article |
|
Year |
2014 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
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Volume |
89 |
Issue |
2 |
Pages |
024512 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Using multicomponent Ginzburg-Landau simulations, we show a plethora of vortex states possible in mesoscopic three-band superconductors. We find that mesoscopic confinement stabilizes chiral states, with nontrivial phase differences between the band condensates, as the ground state of the system. As a consequence, we report the broken-symmetry vortex states, the chiral states where vortex cores in different band condensates do not coincide (split-core vortices), as well as fractional-flux vortex states with broken time-reversal symmetry. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Lancaster, Pa |
Editor |
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Language |
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Wos |
000333653800001 |
Publication Date |
2014-01-24 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1098-0121; 1550-235x |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.836 |
Times cited |
26 |
Open Access |
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|
Notes |
; This work was supported by the Flemish Science Foundation (FWO). Critical remarks of Lucia Komendova are gratefully acknowledged. ; |
Approved |
Most recent IF: 3.836; 2014 IF: 3.736 |
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Call Number |
UA @ lucian @ c:irua:128885 |
Serial |
4611 |
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Permanent link to this record |
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Author |
Odin, G.P.; Vanmeert, F.; Janssens, K.; Lelièvre, H.; Mertz, J.-D.; Rouchon, V. |
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Title |
Accelerated ageing of shales of palaeontological interest : impact of temperature conditions |
Type |
A1 Journal article |
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Year |
2014 |
Publication |
Annales de paléontologie |
Abbreviated Journal |
Ann Paleontol |
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Volume |
100 |
Issue |
2 |
Pages |
137-149 |
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Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Abstract |
The palaeontological collections of the Muséum national dHistoire naturelle (MNHN, Paris, France) and the Muséum dHistoire naturelle dAutun (MHNA, Autun, France) include many fossil specimens originating from the argillaceous shales of the Autun basin (Saône-et-Loire, France). These fossils are preserved within sedimentary rocks containing unstable sulphide compounds, such as pyrite, which may deteriorate in contact with water and oxygen. This alteration provokes crystalline efflorescence and cracks, thus compromising the preservations of the fossils. This work constitutes the first step of a project that aims to understand the mechanisms of alteration of these materials in order to define conservation guidelines for palaeontological collections. For this purpose, eight damaged specimens originating from the Permian Autun basin (Saône-et-Loire, France) were selected and analyzed by X-ray diffraction (XRD), Raman spectroscopy, scanning electron microscopy coupled to energy dispersive X-ray spectrometry (SEM/EDS) and X-ray absorption spectroscopy at the threshold of the sulphur Kα-edge (XANES). This methodology enabled the characterization of the matrices composition and the chemical nature of the alterations. Subsequently, we have sought to reproduce by artificial ageing the alteration phenomena encountered in the collections. New shale samples were collected on seven outcrops of the same Autun basin. They were analyzed and subjected to artificial ageing at 50% relative humidity (RH) and at temperatures ranging between 40 °C and 90 °C. Our work shows that damaged specimens and newly collected shale have a similar mineralogical composition. Yet the crystalline efflorescence material formed on the surface of damaged specimens belongs to the iron sulphate group whereas gypsum predominates on artificially aged shale samples. Reproducing the alterations observed on specimens by artificial ageing remains therefore problematic. Additionally, it appears that the temperature of ageing controls the nature of the damage: at 40 °C, many samples are mechanically damaged whereas no or minor crystalline efflorescence occurs. At 90 °C, it is the opposite tendency that is observed. Finally, mechanical damages do not seem to be correlated with the development of the efflorescence: samples with efflorescent crystals generally do not show clearly visible cracks; those that seem most fragmented do not show any visible efflorescence. |
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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 |
000338607500006 |
Publication Date |
2014-01-24 |
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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 |
0753-3969 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
1.113 |
Times cited |
5 |
Open Access |
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Notes |
; This work is part of a PhD that is funded by the Museum national d'Histoire naturelle, Paris, France and was additionally supported via the S2-ART project (SDD programme of BELSPO, Brussels). The research was realized in partnership with the Palaeontological Collection Management Unit, Collection Department and with the Centre de Recherche sur la Paleodiversite et les Paleoenvironnements (CR2P, CNRS, UMR7207) of the Museum national d'Histoire naturelle, Paris, France. We are grateful to our colleagues MM. Jean Dejax and Dominique Chabard who provided palaeontological specimens and gave us access to shale deposits and Mrs Marie-Madeleine Blanc-Valleron who was of great help for the interpretation of the XRD data. ; |
Approved |
Most recent IF: 1.113; 2014 IF: 0.970 |
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Call Number |
UA @ admin @ c:irua:116594 |
Serial |
5456 |
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Permanent link to this record |
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Author |
Cagno, S.; Hellemans, K.; Lind, O.C.; Skipperud, L.; Janssens, K.; Salbu, B. |
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Title |
LA-ICP-MS for Pu source identification at Mayak PA, the Urals, Russia |
Type |
A1 Journal article |
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Year |
2014 |
Publication |
Environmental science : processes & impacts |
Abbreviated Journal |
Environ Sci-Proc Imp |
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Volume |
16 |
Issue |
2 |
Pages |
306-312 |
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Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Abstract |
Information on Pu in environmental samples is traditionally based on the determination of the 240+239PU activity via Alpha Spectrometry (AS). A large number of alpha spectrometry sources (planchettes) containing radiochemically separated Pu are therefore stored worldwide and are available for further analyses. These archive samples represent a resource from which valuable information on isotopic composition of alpha emitters including Pu can be obtained. The relative abundances of Pu isotopes can be used to trace specific Pu sources and characterize the relative contributions of different Pu sources in a sample. Thus, in addition to the total 239+240PU activity, determination of the Pu-240/Pu-239 ratio can provide valuable information on the nature of the Pu emitting sources. The Pu isotopic ratios can be determined by mass spectrometry techniques such as Sector Field Inductively Coupled Plasma Mass Spectrometry (SF-ICPMS) or Accelerator Mass Spectrometry (AMS) that require dissolution and complete destruction of the material deposited on the planchettes. In this study Laser Ablation (LA)-quadrupole-ICP-MS has been employed for the analysis of Pu-239/Pu-240 ratios from alpha-planchettes prepared from samples originating from the Mayak PA nuclear facility, Russia. The results are compared with data from AMS and show that the Pu-240/Pu-239 ratios obtained by LA-ICP-MS can be utilized to distinguish weapons-grade Pu from civil reprocessing sources. Moreover, isotope ratio mapping can also be performed across the planchettes, allowing e.g. the visualization of possible inhomogeneities in the Pu-isotope distribution on their surface. Thus, this solid sample technique can be applied to extract additional information from existing archives of samples. |
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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 |
000331504100015 |
Publication Date |
2013-12-09 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
2050-7887; 2050-7895 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.592 |
Times cited |
10 |
Open Access |
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Notes |
; This work was supported by the Research Council of Norway through its Centres of Excellence funding scheme, project number 223268/F50, and the Hercules fund, Brussels (grant A11/0387). ; |
Approved |
Most recent IF: 2.592; 2014 IF: 2.171 |
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Call Number |
UA @ admin @ c:irua:115791 |
Serial |
5684 |
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Permanent link to this record |
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Author |
Van Grieken, R. |
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Title |
Awards for best referees of X-ray Spectrometry |
Type |
Editorial |
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Year |
2014 |
Publication |
X-ray spectrometry |
Abbreviated Journal |
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Volume |
43 |
Issue |
2 |
Pages |
68-69 |
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Keywords |
Editorial; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Abstract |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
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Publication Date |
2014-02-07 |
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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 |
0049-8246 |
ISBN |
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Additional Links |
UA library record |
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Impact Factor |
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Times cited |
|
Open Access |
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Notes |
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Approved |
no |
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Call Number |
UA @ admin @ c:irua:114471 |
Serial |
7542 |
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Permanent link to this record |
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Author |
Van Grieken, R. |
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Title |
Introducing John Campbell, the new regional editor for North America of X-Ray Spectrometry |
Type |
Editorial |
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Year |
2014 |
Publication |
X-ray spectrometry |
Abbreviated Journal |
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Volume |
43 |
Issue |
2 |
Pages |
67 |
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Keywords |
Editorial; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Abstract |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000331386000001 |
Publication Date |
2014-02-07 |
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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 |
0049-8246 |
ISBN |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
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Times cited |
|
Open Access |
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Notes |
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Approved |
no |
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Call Number |
UA @ admin @ c:irua:114470 |
Serial |
8120 |
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Permanent link to this record |
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Author |
Zhang, Y.; Jiang, W.; Zhang, Q.Z.; Bogaerts, A. |
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Title |
Computational study of plasma sustainability in radio frequency micro-discharges |
Type |
A1 Journal article |
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Year |
2014 |
Publication |
Journal of applied physics |
Abbreviated Journal |
J Appl Phys |
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Volume |
115 |
Issue |
19 |
Pages |
193301-193311 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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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. |
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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 |
000336920200010 |
Publication Date |
2014-05-16 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0021-8979;1089-7550; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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|
Impact Factor |
2.068 |
Times cited |
11 |
Open Access |
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Notes |
|
Approved |
Most recent IF: 2.068; 2014 IF: 2.183 |
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Call Number |
UA @ lucian @ c:irua:116948 |
Serial |
458 |
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Permanent link to this record |