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Records |
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Author |
Riva, C.; Peeters, F.M.; Varga, K. |
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Title |
Magnetic field dependence of the energy of negatively charged excitons in semiconductor quantum wells |
Type |
A1 Journal article |
| |
Year |
2001 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
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Volume |
63 |
Issue |
|
Pages  |
115302-115310 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
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Address |
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Place of Publication |
Lancaster, Pa |
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Wos |
000167623800065 |
Publication Date |
2002-07-27 |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0163-1829;1095-3795; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.836 |
Times cited |
100 |
Open Access |
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Notes |
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Approved |
Most recent IF: 3.836; 2001 IF: NA |
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Call Number |
UA @ lucian @ c:irua:37295 |
Serial |
1868 |
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| Permanent link to this record |
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Author |
Földi, P.; Szaszkó-Bogár, V.; Peeters, F.M. |
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Title |
Spin-orbit interaction controlled properties of two-dimensional superlattices |
Type |
A1 Journal article |
| |
Year |
2010 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
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| |
Volume |
82 |
Issue |
11 |
Pages |
115302-115302,4 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
The band structure of two-dimensional artificial superlattices in the presence of (Rashba-type) spin-orbit interaction (SOI) is presented. The position and shape of the energy bands in these spintronic crystals depend on the geometry as well as the strength of the SOI, which can be tuned by external gate voltages. For finite mesoscopic arrays, we show that their conductance properties and possible applications can be understood from these spin-dependent band diagrams. |
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Place of Publication |
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Editor |
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Language |
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Wos |
000281516300005 |
Publication Date |
2010-09-03 |
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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 |
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 |
6 |
Open Access |
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Notes |
; We thank M. G. Benedict and F. Bartha for useful discussions. This work was supported by the Flemish Science Foundation (FWO-Vl), the Belgian Science Policy (IAP) and the Hungarian Scientific Research Fund (OTKA) under Contracts No. T81364 and No. M045596. P.F. was supported by a J. Bolyai grant of the Hungarian Academy of Sciences. ; |
Approved |
Most recent IF: 3.836; 2010 IF: 3.774 |
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Call Number |
UA @ lucian @ c:irua:84259 |
Serial |
3092 |
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| Permanent link to this record |
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Author |
Duarte-Neto, P.; Stosic, B.; Stosic, T.; Lessa, R.; Milošević, M.V.; Stanley, H.E. |
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Title |
Multifractal properties of a closed contour : a peek beyond the shape analysis |
Type |
A1 Journal article |
| |
Year |
2014 |
Publication |
PLoS ONE |
Abbreviated Journal |
Plos One |
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| |
Volume |
9 |
Issue |
12 |
Pages |
e115262 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
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Abstract |
In recent decades multifractal analysis has been successfully applied to characterize the complex temporal and spatial organization of such diverse natural phenomena as heartbeat dynamics, the dendritic shape of neurons, retinal vessels, rock fractures, and intricately shaped volcanic ash particles. The characterization of multifractal properties of closed contours has remained elusive because applying traditional methods to their quasi-one-dimensional nature yields ambiguous answers. Here we show that multifractal analysis can reveal meaningful and sometimes unexpected information about natural structures with a perimeter well-defined by a closed contour. To this end, we demonstrate how to apply multifractal detrended fluctuation analysis, originally developed for the analysis of time series, to an arbitrary shape of a given study object. In particular, we show the application of the method to fish otoliths, calcareous concretions located in fish's inner ear. Frequently referred to as the fish's “black box”, they contain a wealth of information about the fish's life history and thus have recently attracted increasing attention. As an illustrative example, we show that a multifractal approach can uncover unexpected relationships between otolith contours and size and age of fish at maturity. |
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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 |
000347239900030 |
Publication Date |
2014-12-26 |
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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 |
1932-6203; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
2.806 |
Times cited |
6 |
Open Access |
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Notes |
; Funding: This work was supported by CNPq, Brazil (Projects No. 201506/2011-4, No. 303251/2010-7, and No. 306719/2012-6). MVM acknowledges support from Flemish Science Foundation (FWO-Vlaanderen) and CAPES PVE action No. BEX1392/ 11-5. The funders had no role in study design, data collection and analysis, decision to publish, or preparation of the manuscript. ; |
Approved |
Most recent IF: 2.806; 2014 IF: 3.234 |
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Call Number |
UA @ lucian @ c:irua:123770 |
Serial |
2218 |
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| Permanent link to this record |
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Author |
Berdiyorov, G.R.; Peeters, F.M.; Hamoudi, H. |
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Title |
Effect of edge groups on the electronic transport properties of tetrapodal diazatriptycene molecule |
Type |
A1 Journal article |
| |
Year |
2022 |
Publication |
Physica. E: Low-dimensional systems and nanostructures |
Abbreviated Journal |
Physica E |
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Volume |
141 |
Issue |
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Pages |
115212-115216 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
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Abstract |
We conduct ballistic transport calculations to study the electronic transport properties of diazatriptycene molecule which can be self-assembled on metallic surfaces with uniform coverage and upright orientation of the functional head group. Due to its structural asymmetry, the molecule shows a clear current rectification, where the level of the rectification depends on the nature of the head group. For example, current rectification can be increased by more than a factor of 2 by anchoring the molecules to the electrode by CN functional group or introducing insulating CH2 group between the thiol end group and the adjacent phenyl ring. Our findings show the possibility of creating self-assembled monolayer of DAT molecules with controlled electronic transport properties through functionalization of the head group. |
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Corporate Author |
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Thesis |
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Place of Publication |
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Wos |
000806548600006 |
Publication Date |
2022-03-04 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1386-9477 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
3.3 |
Times cited |
1 |
Open Access |
Not_Open_Access |
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Notes |
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Approved |
Most recent IF: 3.3 |
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Call Number |
UA @ admin @ c:irua:189041 |
Serial |
7147 |
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Author |
Wu, Z.; Peeters, F.M.; Chang, K. |
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Title |
Electron tunneling through double magnetic barriers on the surface of a topological insulator |
Type |
A1 Journal article |
| |
Year |
2010 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
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Volume |
82 |
Issue |
11 |
Pages |
115211-115211,7 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
We study electron tunneling through a planar magnetic and electric barrier on the surface of a three-dimensional topological insulator. For the double barrier structures, we find (i) a directional-dependent tunneling which is sensitive to the magnetic field configuration and the electric gate voltage, (ii) a spin rotation controlled by the magnetic field and the gate voltage, (iii) many Fabry-Pérot resonances in the transmission determined by the distance between the two barriers, and (iv) the electrostatic potential can enhance the difference in the transmission between the two magnetization configurations, and consequently lead to a giant magnetoresistance. Points (i), (iii), and (iv) are alike with that in graphene stemming from the same linear-dispersion relations. |
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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 |
000282125700002 |
Publication Date |
2010-09-27 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
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 |
65 |
Open Access |
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Notes |
; This work was supported by the NSF of China, the Flemish Science Foundation (FWO-Vl), and the Belgian Science Policy. ; |
Approved |
Most recent IF: 3.836; 2010 IF: 3.774 |
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Call Number |
UA @ lucian @ c:irua:85420 |
Serial |
990 |
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Author |
Heirman, P.; Verloy, R.; Baroen, J.; Privat-Maldonado, A.; Smits, E.; Bogaerts, A. |
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Title |
Liquid treatment with a plasma jet surrounded by a gas shield: effect of the treated substrate and gas shield geometry on the plasma effluent conditions |
Type |
A1 Journal Article |
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Year |
2024 |
Publication |
Journal of Physics D: Applied Physics |
Abbreviated Journal |
J. Phys. D: Appl. Phys. |
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Volume |
57 |
Issue |
11 |
Pages |
115204 |
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Keywords |
A1 Journal Article; atmospheric pressure plasma jet, 2D fluid modeling, gas shield, in vitro treatment, plasma-liquid; Plasma, laser ablation and surface modeling Antwerp (PLASMANT) ; |
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Abstract |
The treatment of a well plate by an atmospheric pressure plasma jet is common for<italic>in vitro</italic>plasma medicine research. Here, reactive species are largely produced through the mixing of the jet effluent with the surrounding atmosphere. This mixing can be influenced not only by the ambient conditions, but also by the geometry of the treated well. To limit this influence and control the atmosphere, a shielding gas is sometimes applied. However, the interplay between the gas shield and the well geometry has not been investigated. In this work, we developed a 2D-axisymmetric computational fluid dynamics model of the kINPen plasma jet, to study the mixing of the jet effluent with the surrounding atmosphere, with and without gas shield. Our computational and experimental results show that the choice of well type can have a significant influence on the effluent conditions, as well as on the effectiveness of the gas shield. Furthermore, the geometry of the shielding gas device can substantially influence the mixing as well. Our results provide a deeper understanding of how the choice of setup geometry can influence the plasma treatment, even when all other operating parameters are unchanged. |
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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 |
001127372200001 |
Publication Date |
2024-03-15 |
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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 |
0022-3727 |
ISBN |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
3.4 |
Times cited |
|
Open Access |
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Notes |
Fund for Scientific Research Flanders, 1100421N ; |
Approved |
Most recent IF: 3.4; 2024 IF: 2.588 |
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Call Number |
PLASMANT @ plasmant @c:irua:201999 |
Serial |
8977 |
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Author |
Leenaerts, O.; Schoeters, B.; Partoens, B. |
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Title |
Stable kagome lattices from group IV elements |
Type |
A1 Journal article |
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Year |
2015 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
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Volume |
91 |
Issue |
91 |
Pages |
115202 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
A thorough investigation of three-dimensional kagome lattices of group IV elements is performed with first-principles calculations. The investigated kagome lattices of silicon and germanium are found to be of similar stability as the recently proposed carbon kagome lattice. Carbon and silicon kagome lattices are both direct-gap semiconductors but they have qualitatively different electronic band structures. While direct optical transitions between the valence and conduction bands are allowed in the carbon case, no such transitions can be observed for silicon. The kagome lattice of germanium exhibits semimetallic behavior but can be transformed into a semiconductor after compression. |
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Corporate Author |
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Publisher |
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Place of Publication |
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Language |
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Wos |
000351900700003 |
Publication Date |
2015-03-10 |
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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 |
12 |
Open Access |
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Notes |
; This work was supported by the Fonds Wetenschappelijk Onderzoek (FWO-Vl). The computational resources and services used in this work were provided by the VSC (Flemish Supercomputer Center), funded by the Hercules Foundation and the Flemish Government – department EWI. ; |
Approved |
Most recent IF: 3.836; 2015 IF: 3.736 |
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Call Number |
c:irua:125516 |
Serial |
3144 |
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Author |
Moiseeva, E.O.; Trashin, S.; Korostei, Y.S.; Khan, S.U.; Kosov, A.D.; De Wael, K.; Dubinina, T.V.; Tomilova, L.G. |
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Title |
Electrochemical and spectroelectrochemical studies of tert-butyl-substituted aluminum phthalocyanine |
Type |
A1 Journal article |
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Year |
2021 |
Publication |
Polyhedron |
Abbreviated Journal |
Polyhedron |
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Volume |
200 |
Issue |
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Pages |
115136 |
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Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Abstract |
Tetra-tert-butylphthalocyanine aluminum (III) chloride was studied by voltammetric and potential-resolved spectroelectrochemical methods in a non-coordinating solvent o-dichlorobenzene. Five redox transitions were found including two oxidation waves at 0.18 and 0.90 V and three reduction waves at −1.28, −1.65, and −2.63 V vs. Fc+/Fc. Electrochemical reversibility of the first oxidation and reduction processes was assessed by using the diagnostic criteria of cyclic voltammetry. First comprehensive spectroelectrochemical characterization of oxidation of the aluminum phthalocyanine is reported. Moreover, potential-resolved spectroelectrochemical titration revealed strong influence of aggregation on the UV–vis spectra and the half-wave potentials of the first oxidation transition and disclosed the presence of the partially oxidized complex in the initial solution, which noticeably affected the spectrum of the neutral form. |
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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 |
000640386000006 |
Publication Date |
2021-03-02 |
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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 |
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Series Issue |
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Edition |
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ISSN |
0277-5387 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
1.926 |
Times cited |
|
Open Access |
OpenAccess |
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Notes |
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Approved |
Most recent IF: 1.926 |
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Call Number |
UA @ admin @ c:irua:176389 |
Serial |
7860 |
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Author |
De Beule, C.; Partoens, B. |
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Title |
Gapless interface states at the junction between two topological insulators |
Type |
A1 Journal article |
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Year |
2013 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
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Volume |
87 |
Issue |
11 |
Pages |
115113-115116 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
We consider a junction between two topological insulators and calculate the properties of the interface states with an effective low-energy Hamiltonian for topological insulators with a single cone on the surface. This system bears a close resemblance to bilayer graphene, as both result from the hybridization of Dirac cones. We find gapless interface states not only when the helicity directions of the topological surface states are oppositely oriented, but they can also exist if they are equally oriented. Furthermore, we find that the existence of the interface states can be understood from the closing of the bulk gap when the helicity changes orientation. Recently superluminal tachyonic excitations were also claimed to exist at the interface between topological insulators. However, here we show that these interface states do not exist. DOI: 10.1103/PhysRevB.87.115113 |
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Place of Publication |
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Language |
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Wos |
000316101100002 |
Publication Date |
2013-03-08 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1098-0121;1550-235X; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.836 |
Times cited |
8 |
Open Access |
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Notes |
; The authors would like to thank Dr. O. Leenaerts for the helpful discussions. This work was supported by the Research Foundation Flanders (FWO). ; |
Approved |
Most recent IF: 3.836; 2013 IF: 3.664 |
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Call Number |
UA @ lucian @ c:irua:108282 |
Serial |
1316 |
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Author |
Van der Donck, M.; Peeters, F.M. |
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Title |
Interlayer excitons in transition metal dichalcogenide heterostructures |
Type |
A1 Journal article |
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Year |
2018 |
Publication |
Physical review B |
Abbreviated Journal |
Phys Rev B |
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Volume |
98 |
Issue |
11 |
Pages |
115104 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Starting from the single-particle Dirac Hamiltonian for charge carriers in monolayer transition metal dichalcogenides (TMDs), we construct a four-band Hamiltonian describing interlayer excitons consisting of an electron in one TMD layer and a hole in the other TMD layer. An expression for the electron-hole interaction potential is derived, taking into account the effect of the dielectric environment above, below, and between the two TMD layers as well as polarization effects in the transition metal layer and in the chalcogen layers of the TMD layers. We calculate the interlayer exciton binding energy and average in-plane interparticle distance for different TMD heterostructures. The effect of different dielectric environments on the exciton binding energy is investigated and a remarkable dependence on the dielectric constant of the barrier between the two layers is found, resulting from competing effects as a function of the in-plane and out-of-plane dielectric constants of the barrier. The polarization effects in the chalcogen layers, which in general reduce the exciton binding energy, can lead to an increase in binding energy in the presence of strong substrate effects by screening the substrate. The excitonic absorbance spectrum is calculated and we show that the interlayer exciton peak depends linearly on a perpendicular electric field, which agrees with recent experimental results. |
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Corporate Author |
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Thesis |
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Publisher |
American Physical Society |
Place of Publication |
New York, N.Y |
Editor |
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Language |
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Wos |
000443671900004 |
Publication Date |
2018-09-04 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
2469-9969; 2469-9950 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.836 |
Times cited |
41 |
Open Access |
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Notes |
; This work was supported by the Research Foundation of Flanders (FWO-Vl) through an aspirant research grant for MVDD and by the FLAG-ERA project TRANS-2D-TMD. ; |
Approved |
Most recent IF: 3.836 |
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Call Number |
UA @ lucian @ c:irua:153653UA @ admin @ c:irua:153653 |
Serial |
5110 |
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Author |
Yang, T.; Kong, Y.; Du, Y.; Li, K.; Schryvers, D. |
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Title |
Discovery of core-shell quasicrystalline particles |
Type |
A1 Journal article |
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Year |
2023 |
Publication |
Scripta materialia |
Abbreviated Journal |
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Volume |
222 |
Issue |
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Pages |
115040-115046 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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Abstract |
Submicron-sized quasicrystalline particles were obtained in an Al-Zn-Mg-Cu alloy produced by traditional melting. These particles consist of an Al-Fe-Ni core and a Mg-Cu-Zn shell and were found to be stable and embedded randomly in the Al matrix. The diffraction patterns of these core-shell particles reveal a decagonal core and an icosahedral shell with, respectively, ten- and five-fold axes aligned. High resolution scanning transmission electron microscopy of the Mg-Cu-Zn shell confirms the five-fold symmetry atomic arrangement and the icosahedral structure. It can therefore be concluded that Fe and Ni impurities play an important role in mediating the formation of such an unusual ternary core-shell quasicrystalline particle. These findings provide some novel insights in the formation of quasicrystals in traditional industrial Al alloys. |
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Place of Publication |
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Editor |
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Language |
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Wos |
000864491400005 |
Publication Date |
2022-09-11 |
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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 |
1359-6462 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
6 |
Times cited |
|
Open Access |
OpenAccess |
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| |
Notes |
|
Approved |
Most recent IF: 6; 2023 IF: 3.747 |
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| |
Call Number |
UA @ admin @ c:irua:191489 |
Serial |
7144 |
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| Permanent link to this record |
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| |
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Author |
Tan, H.; Lebedev, O.I.; McLaughlin, A.C.; Van Tendeloo, G. |
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| |
Title |
The superstructure and superconductivity of Ru1222 based RuSr2Gd2-x-yYyCexCu2O10-\delta compounds |
Type |
A1 Journal article |
| |
Year |
2010 |
Publication |
Superconductor science and technology |
Abbreviated Journal |
Supercond Sci Tech |
|
| |
Volume |
23 |
Issue |
11 |
Pages |
115013-115013,8 |
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| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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| |
Abstract |
For the first time, the local structure and physical properties of Ru1222 based compounds (RuSr(2)Gd(1.4)Ce(0.6)Cu(2)O(10-delta) and RuSr(2)Gd(1.8-x)Y(0.2)CexCu(2)O(10) (x = 0.90-0.55)) have been investigated and analyzed together on the very same compounds. The Ru1222 superstructure was confirmed by TEM at a local scale and was suggested to have an orthorhombic symmetry with space group Aba2 and lattice parameters a(s) similar or equal to root 2a, b(s) similar or equal to root 2a and c(s) = c. This new Ru1222 superstructure distortion from tetragonal symmetry is proposed to have a positive correlation with the superconductivity variation of these compounds. The more the distortion towards orthorhombic symmetry, the higher the critical superconducting temperature these compounds can achieve. The T(c)(0) of RuSr(2)Gd(1.8-x)Y(0.2)Ce(x)Cu(2)O(10-delta) (x = 0.85-0.55) increases monotonically from 4 to 16 K when x decreases from 0.85 to 0.70, then RuSr(2)Gd(2)Cu(2)O(8) defects emerge and the T(c) decreases with decreasing x. Ru1212 defects are observed to intergrow epitaxially with the Ru1222 structure as lamellas along the c-axis in RuSr(2)Gd(1.4)Ce(0.6)Cu(2)O(10-delta). Although Ru1212 is a superconductor, the intergrowth severely restrains its superconductivity. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Bristol |
Editor |
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| |
Language |
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Wos |
000284308000013 |
Publication Date |
2010-10-09 |
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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 |
|
Edition |
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| |
ISSN |
0953-2048;1361-6668; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
2.878 |
Times cited |
1 |
Open Access |
|
|
| |
Notes |
Fwo; Esteem 026019 |
Approved |
Most recent IF: 2.878; 2010 IF: 2.402 |
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| |
Call Number |
UA @ lucian @ c:irua:95553 |
Serial |
3385 |
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| Permanent link to this record |
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| |
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Author |
Molina-Luna, L.; Duerrschnabel, M.; Turner, S.; Erbe, M.; Martinez, G.T.; Van Aert, S.; Holzapfel, B.; Van Tendeloo, G. |
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| |
Title |
Atomic and electronic structures of BaHfO3-doped TFA-MOD-derived YBa2Cu3O7−δthin films |
Type |
A1 Journal article |
| |
Year |
2015 |
Publication |
Superconductor science and technology |
Abbreviated Journal |
Supercond Sci Tech |
|
| |
Volume |
28 |
Issue |
28 |
Pages |
115009 |
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| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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| |
Abstract |
Tailoring the properties of oxide-based nanocomposites is of great importance for a wide range of materials relevant for energy technology. YBa2Cu3O7−δ (YBCO) superconducting thin films containing nanosized BaHfO3 (BHO) particles yield a significant improvement of the magnetic flux pinning properties and a reduced anisotropy of the critical current density. These films were prepared by chemical solution deposition (CSD) on (100) SrTiO3 (STO) substrates yielding critical current densities up to 3.6 MA cm−2 at 77 K and self-field. Transport in-field J c measurements demonstrated a high pinning force maximum of around 6 GN/m3 for a sample annealed at T = 760 °C that has a doping of 12 mol% of BHO. This sample was investigated by scanning transmission electron microscopy (STEM) in combination with electron energy-loss spectroscopy (EELS) yielding strain and spectral maps. Spherical BHO nanoparticles of 15 nm in size were found in the matrix, whereas the particles at the interface were flat. A 2 nm diffusion layer containing Ti was found at the YBCO (BHO)/STO interface. Local lattice deformation mapping at the atomic scale revealed crystal defects induced by the presence of both sorts of BHO nanoparticles, which can act as pinning centers for magnetic flux lines. Two types of local lattice defects were identified and imaged: (i) misfit edge dislocations and (ii) Ba-Cu-Cu-Ba stacking faults (Y-248 intergrowths). The local electronic structure and charge transfer were probed by high energy resolution monochromated electron energy-loss spectroscopy. This technique made it possible to distinguish superconducting from non-superconducting areas in nanocomposite samples with atomic resolution in real space, allowing the identification of local pinning sites on the order of the coherence length of YBCO (~1.5 nm) and the determination of 0.25 nm dislocation cores. |
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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 |
000366193000018 |
Publication Date |
2015-09-25 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0953-2048;1361-6668; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
2.878 |
Times cited |
4 |
Open Access |
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| |
Notes |
The authors thank financial support from the European Union under the Framework 6 program as a contract for an Integrated Infrastructure Initiative (References No. 026019 ESTEEM) and by the EUFP6 Research Project “NanoEngineered Superconductors for Power Applications” NESPA no. MRTN-CT-2006-035619. This work was supported by funding from the European Research Council under the Seventh Framework Programme (FP7). L.M.L, S.T. and G.V.T acknowledge ERC grant N°246791 – COUNTATOMS and funding under a contract for an Integrated Infrastructure Initiative, Reference No. 312483- ESTEEM2, as well as the EC project EUROTAPES. G.T.M. and S.V.A acknowledge financial support from the Fund for Scientific Research-Flanders (Reference G.0064.10N and G.0393.11N). M.D. acknowledges financial support from the LOEWE research cluster RESPONSE (Hessen, Germany). M.E. has received funding from the European Union Seventh Framework Programme (FP7/2007–2013) under grant agreement n° NMP-LA-2012-280432.; esteem2jra2; esteem2jra3 |
Approved |
Most recent IF: 2.878; 2015 IF: 2.325 |
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| |
Call Number |
c:irua:129199 c:irua:129199 |
Serial |
3942 |
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| Permanent link to this record |
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Author |
Berthelot, A.; Bogaerts, A. |
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| |
Title |
Modeling of CO2plasma: effect of uncertainties in the plasma chemistry |
Type |
A1 Journal article |
| |
Year |
2017 |
Publication |
Plasma sources science and technology |
Abbreviated Journal |
Plasma Sources Sci T |
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| |
Volume |
26 |
Issue |
11 |
Pages |
115002 |
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| |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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| |
Abstract |
Low-temperature plasma chemical kinetic models are particularly important to the plasma community. These models typically require dozens of inputs, especially rate coefficients. The latter are not always precisely known and it is not surprising that the error on the rate coefficient data can propagate to the model output. In this paper, we present a model that uses N = 400 different combinations of rate coefficients based on the uncertainty attributed to each rate coefficient, giving a good estimation of the uncertainty on the model output due to the rate coefficients. We demonstrate that the uncertainty varies a lot with the conditions and the type of output. Relatively low uncertainties (about 15%) are found for electron density and temperature, while the uncertainty can reach more than an order of magnitude for the population of the vibrational levels in some cases and it can rise up to 100% for the CO2 conversion. The reactions that are mostly responsible for the largest uncertainties are identified. We show that the conditions of pressure, gas temperature and power density have a great effect on the uncertainty and on which reactions lead to this uncertainty. In all the cases tested here, while the absolute values may suffer from large uncertainties, the trends observed in previous modeling work are still valid. Finally, in accordance with the work of Turner, a number of ‘good practices’ is recommended. |
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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 |
000413216500002 |
Publication Date |
2017-10-18 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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| |
ISSN |
1361-6595 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
3.302 |
Times cited |
16 |
Open Access |
OpenAccess |
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| |
Notes |
We acknowledge financial support from the European Unions Seventh Framework Program for research, technological development and demonstration under grant agreement n◦ 606889. The calculations were carried out using the Turing HPC infrastructure at the CalcUA core facility of the Universiteit Antwerpen (UA), a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government (department EWI) and the UA. |
Approved |
Most recent IF: 3.302 |
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| |
Call Number |
PLASMANT @ plasmant @c:irua:146879c:irua:146642 |
Serial |
4758 |
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| Permanent link to this record |
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Author |
Lin, S.-C.; Kuo, C.-T.; Shao, Y.-C.; Chuang, Y.-D.; Geessinck, J.; Huijben, M.; Rueff, J.-P.; Graff, I.L.; Conti, G.; Peng, Y.; Bostwick, A.; Gullikson, E.; Nemsak, S.; Vailionis, A.; Gauquelin, N.; Verbeeck, J.; Ghiringhelli, G.; Schneider, C.M.; Fadley, C.S. |
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Title |
Two-dimensional electron systems in perovskite oxide heterostructures : role of the polarity-induced substitutional defects |
Type |
A1 Journal article |
| |
Year |
2020 |
Publication |
Physical review materials |
Abbreviated Journal |
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| |
Volume |
4 |
Issue |
11 |
Pages |
115002 |
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| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
The discovery of a two-dimensional electron system (2DES) at the interfaces of perovskite oxides such as LaAlO3 and SrTiO3 has motivated enormous efforts in engineering interfacial functionalities with this type of oxide heterostructures. However, the fundamental origins of the 2DES are still not understood, e.g., the microscopic mechanisms of coexisting interface conductivity and magnetism. Here we report a comprehensive spectroscopic investigation on the depth profile of 2DES-relevant Ti 3d interface carriers using depthand element-specific techniques like standing-wave excited photoemission and resonant inelastic scattering. We found that one type of Ti 3d interface carriers, which give rise to the 2DES are located within three unit cells from the n-type interface in the SrTiO3 layer. Unexpectedly, another type of interface carriers, which are polarity-induced Ti-on-Al antisite defects, reside in the first three unit cells of the opposing LaAlO3 layer (similar to 10 angstrom). Our findings provide a microscopic picture of how the localized and mobile Ti 3d interface carriers distribute across the interface and suggest that the 2DES and 2D magnetism at the LaAlO3/SrTiO3 interface have disparate explanations as originating from different types of interface carriers. |
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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 |
000592432200004 |
Publication Date |
2020-11-20 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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| |
ISSN |
2475-9953 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.4 |
Times cited |
7 |
Open Access |
OpenAccess |
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Notes |
; We thank G. M. De Luca and L. Braicovich for discussions. Charles S. Fadley was deceased on August 1, 2019. We are grateful for his significant contributions to this work. We thank Advanced Light Source for the access to Beamline 8.0.3 (qRIXS) via Proposal No. 09892 and beamline 7.0.2 (MAESTRO) via Proposal No. RA-00291 that contributed to the results presented here. We thank synchrotron SOLEIL (via Proposal No. 99180118) for the access to Beamline GALAXIES. This work was supported by the U.S. Department of Energy (DOE) under Contract No. DE-AC02-05CH11231 (Advanced Light Source), and by DOE Contract No. DE-SC0014697 through the University of California, Davis (S.-C.L., C.-T.K, and C.S.F.), and from the Julich Research Center, Peter Grunberg Institute, PGI-6. I. L. G. wishes to thank Brazilian scientific agencies CNPQ (Project No. 200789/2017-1) and CAPES (CAPES-PrInt-UFPR) for their financial support. J.V. and N.G. acknowledge funding from the Geconcentreerde Onderzoekacties (GOA) project “Solarpaint” of the University of Antwerp and the European Union's horizon 2020 research and innovation program ES-TEEM3 under grant agreement no 823717. The Qu-Ant-EM microscope used in this study was partly funded by the Hercules fund from the Flemish Government. ; esteem3TA; esteem3reported |
Approved |
Most recent IF: 3.4; 2020 IF: NA |
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Call Number |
UA @ admin @ c:irua:174316 |
Serial |
6713 |
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| Permanent link to this record |
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Author |
Cánovas, R.; Daems, E.; Langley, A.R.; De Wael, K. |
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Title |
Are aptamer-based biosensing approaches a good choice for female fertility monitoring? A comprehensive review |
Type |
A1 Journal article |
| |
Year |
2023 |
Publication |
Biosensors and bioelectronics |
Abbreviated Journal |
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Volume |
220 |
Issue |
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Pages |
114881-18 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Antwerp Electrochemical and Analytical Sciences Lab (A-Sense Lab) |
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Abstract |
The WHO estimates that 8–10% of couples are facing fertility problems, often due to inaccuracy in predicting the female's ovulation period controlled by four key hormones. The quantification and monitoring of such key hormones are crucial for the early identification of infertility, but also in improving therapeutic management associated with hormonal imbalance. In this review, we extensively summarize and discuss: i) drawbacks of laboratory methods for fertility testing (costly, invasive, complex) and commercially available point-of-care tests (measuring only one/two of the four key hormones), ii) the understanding of different biosensors for fertility monitoring, and iii) an in-depth classification and overview of aptamer-based sensing of the hormones of interest. This review provides insights on hormone detection strategies for fertility, with a focus on the classification of the current ‘aptasensing’ strategies, aiming to assist as a basic guide for the development of accurate fertility window monitoring tools based on aptamers. |
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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 |
000890547600004 |
Publication Date |
2022-11-07 |
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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 |
0956-5663 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
12.6 |
Times cited |
|
Open Access |
OpenAccess |
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Notes |
|
Approved |
Most recent IF: 12.6; 2023 IF: 7.78 |
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Call Number |
UA @ admin @ c:irua:191711 |
Serial |
8833 |
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Author |
Nguyen, D.K.; Hoat, D.M.; Bafekry, A.; Van On, V.; Rivas-Silva, J.F.; Naseri, M.; Cocoletzi, G.H. |
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Title |
Theoretical prediction of the PtOX (X = S and Se) monolayers as promising optoelectronic and thermoelectric 2D materials |
Type |
A1 Journal article |
| |
Year |
2021 |
Publication |
Physica E-Low-Dimensional Systems & Nanostructures |
Abbreviated Journal |
Physica E |
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Volume |
131 |
Issue |
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Pages |
114732 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
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Abstract |
In this paper, two new monolayers, namely PtOS and PtOSe, are theoretically predicted using first-principles calculations. Structural, electronic, optical and thermoelectric properties are explored using full-potential linearized augmented plane-wave (FP-LAPW) method and the semiclassical Boltzmann transport theory. Predicted two-dimensional (2D) materials show good dynamical, thermodynamic and structural stability. Calculated electronic structures indicate the indirect gap semiconductor nature of the PtOS and PtOSe single layers with energy gap of 1.346(2.436) and 0.978(1.978) eV as calculated with the WC(HSE06) functional, respectively. Density of states spectra and valence charge distribution maps suggest a mix of covalent and ionic characters of the chemical bonds. 2D materials at hand exhibit good absorption property in the visible regime with coefficient value reaching the order of 105/cm, even much larger in the ultraviolet, suggesting the promising optoelectronic applicability. Finally, the thermoelectric parameters including electrical conductivity, thermal conductivity, Seebeck coefficient, power factor and figure of merit are determined and analyzed. Results indicate prospective thermoelectric performance of both considered single layers as demonstrated by large figure of merit close to unity. Our work introduces two new 2D multifunctional materials that may possess potential applications in the optoelectronic and thermoelectric nano-devices. |
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Corporate Author |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000647410700007 |
Publication Date |
2021-03-25 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1386-9477 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.221 |
Times cited |
|
Open Access |
Not_Open_Access |
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Notes |
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Approved |
Most recent IF: 2.221 |
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| |
Call Number |
UA @ admin @ c:irua:178346 |
Serial |
7030 |
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Author |
Ding, L.; Sapanathan, T.; Schryvers, D.; Simar, A.; Idrissi, H. |
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Title |
On the formation of antiphase boundaries in Fe₄Al₁₃ intermetallics during a high temperature treatment |
Type |
A1 Journal article |
| |
Year |
2022 |
Publication |
Scripta materialia |
Abbreviated Journal |
Scripta Mater |
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Volume |
215 |
Issue |
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Pages |
114726-6 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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Abstract |
In this paper, we report atomic scale observations and formation mechanisms of a high-density of antiphase boundaries (APBs) within an ultra-fine-grained Fe4Al13 intermetallic layer at an Al/steel interface after a heat treatment at 596 degrees C. The results reveal that the APBs are formed by nucleation and the glide of partial dislocations with Burgers vector of b/3[010] (b = 12.47 angstrom). The intensive activation of APBs locally transforms the Fe4Al13 structure from the quasicrystal approximant structure to a quasicrystal. Very few stacking faults and nanotwins are observed indicating that the formation of planar defects is mainly driven by this transformation. This new insight on the formation of high density of APBs could possibly lead to an improvement in toughness by increasing the strength/ductility balance of this intermetallic. |
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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 |
000800016600003 |
Publication Date |
2022-04-08 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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| |
ISSN |
1359-6462 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
6 |
Times cited |
|
Open Access |
OpenAccess |
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Notes |
|
Approved |
Most recent IF: 6 |
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Call Number |
UA @ admin @ c:irua:188644 |
Serial |
7088 |
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Author |
Lindeboom, R.E.F.; De Paepe, J.; Vanoppen, M.; Alonso-Fariñas, B.; Coessens, W.; Alloul, A.; Christiaens, M.E.R.; Dotremont, C.; Beckers, H.; Lamaze, B.; Demey, D.; Clauwaert, P.; Verliefde, A.R.D.; Vlaeminck, S.E. |
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Title |
A five-stage treatment train for water recovery from urine and shower water for long-term human Space missions |
Type |
A1 Journal article |
| |
Year |
2020 |
Publication |
Desalination |
Abbreviated Journal |
Desalination |
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Volume |
495 |
Issue |
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Pages |
114634 |
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Keywords |
A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL) |
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Abstract |
Long-term human Space missions will rely on regenerative life support as resupply of water, oxygen and food comes with constraints. The International Space Station (ISS) relies on an evaporation/condensation system to recover 74–85% of the water in urine, yet suffers from repetitive scaling and biofouling while employing hazardous chemicals. In this study, an alternative non-sanitary five-stage treatment train for one “astronaut” was integrated through a sophisticated monitoring and control system. This so-called Water Treatment Unit Breadboard (WTUB) successfully treated urine (1.2-L-d−1) with crystallisation, COD-removal, ammonification, nitrification and electrodialysis, before it was mixed with shower water (3.4-L-d−1). Subsequently, ceramic nanofiltration and single-pass flat-sheet RO were used. A four-months proof-of-concept period yielded: (i) chemical water quality meeting the hygienic standards of the European Space Agency, (ii) a 87-±-5% permeate recovery with an estimated theoretical primary energy requirement of 0.2-kWhp-L−1, (iii) reduced scaling potential without anti-scalant addition and (iv) and a significant biological reduction in biofouling potential resulted in stable but biofouling-limited RO permeability of 0.5 L-m−2-h−1-bar−1. Estimated mass breakeven dates and a comparison with the ISS Water Recovery System for a hypothetical Mars transit mission show that WTUB is a promising biological membrane-based alternative to heat-based systems for manned Space missions. |
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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 |
000582172900007 |
Publication Date |
2020-09-15 |
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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 |
0011-9164 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
9.9 |
Times cited |
|
Open Access |
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Notes |
|
Approved |
Most recent IF: 9.9; 2020 IF: 5.527 |
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Call Number |
UA @ admin @ c:irua:171514 |
Serial |
6523 |
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Author |
Hamid, I.; Jalali, H.; Peeters, F.M.; Neek-Amal, M. |
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Title |
Abnormal in-plane permittivity and ferroelectricity of confined water : from sub-nanometer channels to bulk |
Type |
A1 Journal article |
| |
Year |
2021 |
Publication |
Journal Of Chemical Physics |
Abbreviated Journal |
J Chem Phys |
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Volume |
154 |
Issue |
11 |
Pages |
114503 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Dielectric properties of nano-confined water are important in several areas of science, i.e., it is relevant in the dielectric double layer that exists in practically all heterogeneous fluid-based systems. Molecular dynamics simulations are used to predict the in-plane dielectric properties of confined water in planar channels of width ranging from sub-nanometer to bulk. Because of suppressed rotational degrees of freedom near the confining walls, the dipole of the water molecules tends to be aligned parallel to the walls, which results in a strongly enhanced in-plane dielectric constant (epsilon (parallel to)) reaching values of about 120 for channels with height 8 angstrom < h < 10 angstrom. With the increase in the width of the channel, we predict that epsilon (parallel to) decreases nonlinearly and reaches the bulk value for h > 70 angstrom. A stratified continuum model is proposed that reproduces the h > 10 angstrom dependence of epsilon (parallel to). For sub-nanometer height channels, abnormal behavior of epsilon (parallel to) is found with two orders of magnitude reduction of epsilon (parallel to) around h similar to 7.5 angstrom, which is attributed to the formation of a particular ice phase that exhibits long-time (similar to mu s) stable ferroelectricity. This is of particular importance for the understanding of the influence of confined water on the functioning of biological systems. |
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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 |
000629831900001 |
Publication Date |
2021-03-17 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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| |
ISSN |
0021-9606 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
2.965 |
Times cited |
9 |
Open Access |
OpenAccess |
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| |
Notes |
|
Approved |
Most recent IF: 2.965 |
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| |
Call Number |
UA @ admin @ c:irua:177579 |
Serial |
6967 |
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| Permanent link to this record |
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Author |
Van De Vijver, E.; Delbecque, N.; Verdoodt, A.; Seuntjens, P. |
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Title |
Estimating the urban soil information gap using exhaustive land cover data: The example of Flanders, Belgium |
Type |
A1 Journal article |
| |
Year |
2020 |
Publication |
Geoderma |
Abbreviated Journal |
Geoderma |
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| |
Volume |
372 |
Issue |
|
Pages |
114371 |
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| |
Keywords |
A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL) |
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Abstract |
Human activities related to urbanization and industrialization have established a vast territory of urban soil worldwide. On traditional soil maps, urban and industrial areas usually appear as blind spots as they were beyond the interest of national soil survey campaigns. Furthermore, these soil maps are likely already outdated with respect to urban soil due to rapid urban expansion in recent decades. This research aims to evaluate the use of land cover data to estimate the urban soil information gap considering the highly urbanized region of Flanders, Belgium, as a case study. The current extent and spatial distribution of anthropogenic urban soil (1) was estimated through reclassification of recently acquired (2012) exhaustive land cover data, discriminating three qualitative likelihood levels (high-intermediate-low) of anthropogenic influence by urbanization, and (2) compared with its occurrence as represented by the 'Technosols/Not Surveyed area' in the legacy soil map of Belgium, as this map unit best matches with the likelihood for anthropogenic urban soil at the time of the National Soil Survey conducted between end 1940s and mid 1970s. The proposed reclassification of the land cover map resulted in 16.3% and 16.7% of Flanders' total area that corresponds with a high and intermediate likelihood for anthropogenic urban soil, which highlights the underestimation of the anthropogenic urban soil extent as represented by the 'Technosol/Not Surveyed' unit in the legacy soil map (only 13.7%). Moreover, a more realistic spatial pattern of anthropogenic urban soil occurrence was obtained, providing an improved basis for urban soil spatial analysis studies. The produced anthropogenic urban soil likelihood map therefore presents a useful supporting tool for coordinating future soil surveys in urban environments. |
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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 |
000535713600006 |
Publication Date |
2020-04-21 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0016-7061 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
6.1 |
Times cited |
2 |
Open Access |
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Notes |
; ; |
Approved |
Most recent IF: 6.1; 2020 IF: 4.036 |
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Call Number |
UA @ admin @ c:irua:170153 |
Serial |
6510 |
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| Permanent link to this record |
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Author |
Chaves, A.; Peeters, F.M. |
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Title |
Tunable effective masses of magneto-excitons in two-dimensional materials |
Type |
A1 Journal article |
| |
Year |
2021 |
Publication |
Solid State Communications |
Abbreviated Journal |
Solid State Commun |
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Volume |
334 |
Issue |
|
Pages |
114371 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Excitonic properties of Ge2H2 and Sn2H2, also known as Xanes, are investigated within the effective mass model. A perpendicularly applied magnetic field induces a negative shift on the exciton center-of-mass kinetic energy that is approximately quadratic with its momentum, thus pushing down the exciton dispersion curve and flattening it. This can be interpreted as an increase in the effective mass of the magneto-exciton, tunable by the field intensity. Our results show that in low effective mass two-dimensional semiconductors, such as Xanes, the applied magnetic field allows one to tune the magneto-exciton effective mass over a wide range of values. |
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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 |
000670329600003 |
Publication Date |
2021-05-14 |
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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 |
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Series Issue |
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Edition |
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ISSN |
0038-1098 |
ISBN |
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Additional Links |
UA library record; WoS full record |
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| |
Impact Factor |
1.554 |
Times cited |
|
Open Access |
Not_Open_Access |
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Notes |
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Approved |
Most recent IF: 1.554 |
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Call Number |
UA @ admin @ c:irua:179762 |
Serial |
7037 |
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| Permanent link to this record |
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Author |
Saniz, R.; Bekaert, J.; Partoens, B.; Lamoen, D. |
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Title |
First-principles study of defects at Σ3 grain boundaries in CuGaSe2 |
Type |
A1 Journal article |
| |
Year |
2021 |
Publication |
Solid State Communications |
Abbreviated Journal |
Solid State Commun |
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Volume |
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Issue |
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Pages |
114263 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT); Electron microscopy for materials research (EMAT) |
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Abstract |
We present a first-principles computational study of cation–Se 3 (112) grain boundaries in CuGaSe. We discuss the structure of these grain boundaries, as well as the effect of native defects and Na impurities on their electronic properties. The formation energies show that the defects will tend to form preferentially at the grain boundaries, rather than in the grain interiors. We find that in Ga-rich growth conditions Cu vacancies as well as Ga at Cu and Cu at Ga antisites are mainly responsible for having the equilibrium Fermi level pinned toward the middle of the gap, resulting in carrier depletion. The Na at Cu impurity in its +1 charge state contributes to this. In Ga-poor growth conditions, on the other hand, the formation energies of Cu vacancies and Ga at Cu antisites are comparatively too high for any significant influence on carrier density or on the equilibrium Fermi level position. Thus, under these conditions, the Cu at Ga antisites give rise to a -type grain boundary. Also, their formation energy is lower than the formation energy of Na at Cu impurities. Thus, the latter will fail to act as a hole barrier preventing recombination at the grain boundary, in contrast to what occurs in CuInSe grain boundaries. We also discuss the effect of the defects on the electronic properties of bulk CuGaSe, which we assume reflect the properties of the grain interiors. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000652668500013 |
Publication Date |
2021-03-12 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0038-1098 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
1.554 |
Times cited |
1 |
Open Access |
OpenAccess |
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Notes |
Fwo; We acknowledge the financial support of FWO-Vlaanderen, Belgium through project G.0150.13. The computational resources and services used in this work were provided by the VSC (Flemish Supercomputer Center) and the HPC infrastructure of the University of Antwerp (CalcUA), both funded by FWO-Vlaanderen and the Flemish Government-department EWI. |
Approved |
Most recent IF: 1.554 |
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Call Number |
EMAT @ emat @c:irua:176544 |
Serial |
6703 |
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| Permanent link to this record |
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Author |
Bogaerts, A.; Centi, G.; Hessel, V.; Rebrov, E. |
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Title |
Challenges in unconventional catalysis |
Type |
A1 Journal Article |
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Year |
2023 |
Publication |
Catalysis today |
Abbreviated Journal |
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Volume |
420 |
Issue |
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Pages |
114180 |
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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 |
Catalysis science and technology increased efforts recently to progress beyond conventional “thermal” catalysis and face the challenges of net-zero emissions and electrification of production. Nevertheless, a better gaps and opportunities analysis is necessary. This review analyses four emerging areas of unconventional or less- conventional catalysis which share the common aspect of using directly renewable energy sources: (i) plasma catalysis, (ii) catalysis for flow chemistry and process intensification, (iii) application of electromagnetic (EM) fields to modulate catalytic activity and (iv) nanoscale generation at the catalyst interface of a strong local EM by plasmonic effect. Plasma catalysis has demonstrated synergistic effects, where the outcome is higher than the sum of both processes alone. Still, the underlying mechanisms are complex, and synergy is not always obtained. There is a crucial need for a better understanding to (i) design catalysts tailored to the plasma environment, (ii) design plasma reactors with optimal transport of plasma species to the catalyst surface, and (iii) tune the plasma conditions so they work in optimal synergy with the catalyst. Microfluidic reactors (flow chemistry) is another emerging sector leading to the intensification of catalytic syntheses, particularly in organic chemistry. New unconventional catalysts must be designed to exploit in full the novel possibilities. With a focus on (a) continuous-flow photocatalysis, (b) electrochemical flow catalysis, (c) microwave flow catalysis and (d) ultra sound flow activation, a series of examples are discussed, with also indications on scale-up and process indus trialisation. The third area discussed regards the effect on catalytic performances of applying oriented EM fields spanning several orders of magnitude. Under well-defined conditions, gas breakdown and, in some cases, plasma formation generates activated gas phase species. The EM field-driven chemical conversion processes depend further on structured electric/magnetic catalysts, which shape the EM field in strength and direction. Different effects influencing chemical conversion have been reported, including reduced activation energy, surface charging, hot spot generation, and selective local heating. The last topic discussed is complementary to the third, focusing on the possibility of tuning the photo- and electro-catalytic properties by creating a strong localised electrical field with a plasmonic effect. The novel possibilities of hot carriers generated by the plasmonic effect are also discussed. This review thus aims to stimulate the reader to make new, creative catalysis to address the challenges of reaching a carbon-neutral world. |
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Corporate Author |
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Thesis |
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Place of Publication |
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Language |
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Wos |
001004623300001 |
Publication Date |
2023-05-09 |
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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 |
0920-5861 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
5.3 |
Times cited |
|
Open Access |
OpenAccess |
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Notes |
The EU ERC Synergy SCOPE project supported this work (project ID 810182) “ Surface-COnfined fast-modulated Plasma for process and Energy intensification in small molecules conversion”. This review thus aims to stimulate the reader to make new, creative catalysis to address the challenges of reaching a carbon-neutral world. |
Approved |
Most recent IF: 5.3; 2023 IF: 4.636 |
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Call Number |
PLASMANT @ plasmant @c:irua:196446 |
Serial |
7380 |
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| Permanent link to this record |
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Author |
Ndayirinde, C.; Gorbanev, Y.; Ciocarlan, R.-G.; De Meyer, R.; Smets, A.; Vlasov, E.; Bals, S.; Cool, P.; Bogaerts, A. |
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Title |
Plasma-catalytic ammonia synthesis : packed catalysts act as plasma modifiers |
Type |
A1 Journal article |
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Year |
2023 |
Publication |
Catalysis today |
Abbreviated Journal |
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Volume |
419 |
Issue |
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Pages |
114156-12 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Laboratory of adsorption and catalysis (LADCA); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
We studied the plasma-catalytic production of NH3 from H2 and N2 in a dielectric barrier discharge plasma reactor using five different Co-based catalysts supported on Al2O3, namely Co/Al2O3, CoCe/Al2O3, CoLa/Al2O3, CoCeLa/Al2O3 and CoCeMg/Al2O3. The catalysts were characterized via several techniques, including SEM-EDX, and their performance was compared. The best performing catalyst was found to be CoLa/Al2O3, but the dif-ferences in NH3 concentration, energy consumption and production rate between the different catalysts were limited under the same conditions (i.e. feed gas, flow rate and ratio, and applied power). At the same time, the plasma properties, such as the plasma power and current profile, varied significantly depending on the catalyst. Taken together, these findings suggest that in the production of NH3 by plasma catalysis, our catalysts act as plasma modifiers, i.e., they change the discharge properties and hence the gas phase plasma chemistry. Importantly, this effect dominates over the direct catalytic effect (as e.g. in thermal catalysis) defined by the chemistry on the catalyst surface. |
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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 |
000987221300001 |
Publication Date |
2023-04-10 |
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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 |
0920-5861 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
5.3 |
Times cited |
3 |
Open Access |
Not_Open_Access |
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Notes |
This research was supported by the European Research Council (ERC) under the European Union's Horizon 2020 research and innovation programme (grant agreement No 810182 – SCOPE ERC Synergy project) and the Methusalem project of the University of Antwerp. We also gratefully acknowledge the NH3-TPD analysis performed by Sander Bossier. |
Approved |
Most recent IF: 5.3; 2023 IF: 4.636 |
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Call Number |
UA @ admin @ c:irua:197268 |
Serial |
8917 |
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Author |
Wang, X.; Yao, X.; Schryvers, D.; Verlinden, B.; Wang, G.; Zhao, G.; Van Humbeeck, J.; Kustov, S. |
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Title |
Anomalous stress-strain behavior of NiTi shape memory alloy close to the border of superelastic window |
Type |
A1 Journal article |
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Year |
2021 |
Publication |
Scripta Materialia |
Abbreviated Journal |
Scripta Mater |
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Volume |
204 |
Issue |
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Pages |
114135 |
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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 report an anomalous phenomenon on superelastic cycling of NiTi shape memory alloys when deforming at the temperature close to the border of superelastic window. New unexpected effects are found-(i) critical stress for inducing martensite transformation during the second loading cycle is higher than that of the first cycle; ( ii ) the plateau stress of the second cycle decreases to the original level when the strain overcomes the limit of the first cycle; ( iii ) transition from good superelasticity in the first cycle to fully irreversible strain in the second. We propose that defects generated during the first superelastic cycle close to the border of superelastic window impede following stress-induced martensitic transformations, leading to the increase of critical stress beyond yield stress of the B2 matrix, and thus functional fatigue of NiTi alloys. (c) 2021 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved. |
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Corporate Author |
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Publisher |
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Place of Publication |
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Language |
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Wos |
000690441400007 |
Publication Date |
2021-07-14 |
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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 |
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Series Issue |
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Edition |
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ISSN |
1359-6462 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.747 |
Times cited |
|
Open Access |
OpenAccess |
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Notes |
|
Approved |
Most recent IF: 3.747 |
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Call Number |
UA @ admin @ c:irua:181658 |
Serial |
6853 |
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| Permanent link to this record |
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Author |
Bal, K.M.; Fukuhara, S.; Shibuta, Y.; Neyts, E.C. |
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Title |
Free energy barriers from biased molecular dynamics simulations |
Type |
A1 Journal article |
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Year |
2020 |
Publication |
Journal Of Chemical Physics |
Abbreviated Journal |
J Chem Phys |
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Volume |
153 |
Issue |
11 |
Pages |
114118 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
Atomistic simulation methods for the quantification of free energies are in wide use. These methods operate by sampling the probability density of a system along a small set of suitable collective variables (CVs), which is, in turn, expressed in the form of a free energy surface (FES). This definition of the FES can capture the relative stability of metastable states but not that of the transition state because the barrier height is not invariant to the choice of CVs. Free energy barriers therefore cannot be consistently computed from the FES. Here, we present a simple approach to calculate the gauge correction necessary to eliminate this inconsistency. Using our procedure, the standard FES as well as its gauge-corrected counterpart can be obtained by reweighing the same simulated trajectory at little additional cost. We apply the method to a number of systems—a particle solvated in a Lennard-Jones fluid, a Diels–Alder reaction, and crystallization of liquid sodium—to demonstrate its ability to produce consistent free energy barriers that correctly capture the kinetics of chemical or physical transformations, and discuss the additional demands it puts on the chosen CVs. Because the FES can be converged at relatively short (sub-ns) time scales, a free energy-based description of reaction kinetics is a particularly attractive option to study chemical processes at more expensive quantum mechanical levels of theory. |
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Corporate Author |
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Place of Publication |
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Editor |
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Language |
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Wos |
000574665600004 |
Publication Date |
2020-09-21 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0021-9606 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
4.4 |
Times cited |
|
Open Access |
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Notes |
Japan Society for the Promotion of Science, 19H02415 18J22727 ; Fonds Wetenschappelijk Onderzoek, 12ZI420N ; This work was supported, in part, by a Grant-in-Aid for Scientific Research (B) (Grant No. 19H02415) and Grant-in-Aid for a JSPS Research Fellow (Grant No. 18J22727) from the Japan Society for the Promotion of Science (JSPS), Japan. K.M.B. was funded as a junior postdoctoral fellow of the FWO (Research Foundation – Flanders), Grant No. 12ZI420N. S.F. was supported by JSPS through the Program for Leading Graduate Schools (MERIT). The computational resources and services used in this work were provided by the HPC core facility CalcUA of the Universiteit Antwerpen, and VSC (Flemish Supercomputer Center), funded by the FWO and the Flemish Government. The authors are grateful to Pablo Piaggi for making the pair entropy CV code publicly available. |
Approved |
Most recent IF: 4.4; 2020 IF: 2.965 |
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Call Number |
PLASMANT @ plasmant @c:irua:172456 |
Serial |
6420 |
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Author |
Liu, Y.-X.; Zhang, Q.-Z.; Liu, J.; Song, Y.-H.; Bogaerts, A.; Wang, Y.-N. |
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Title |
Effect of bulk electric field reversal on the bounce resonance heating in dual-frequency capacitively coupled electronegative plasmas |
Type |
A1 Journal article |
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Year |
2012 |
Publication |
Applied physics letters |
Abbreviated Journal |
Appl Phys Lett |
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Volume |
101 |
Issue |
11 |
Pages |
114101 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
The electron bounce resonance heating (BRH) in dual-frequency capacitively coupled plasmas operated in oxygen and argon has been studied by different experimental methods. In comparison with the electropositive argon discharge, the BRH in an electronegative discharge occurs at larger electrode gaps. Kinetic particle simulations reveal that in the oxygen discharge, the bulk electric field becomes quite strong and is out of phase with the sheath field. Therefore, it retards the resonant electrons when traversing the bulk, resulting in a suppressed BRH. This effect becomes more pronounced at lower high-frequency power, when the discharge mode changes from electropositive to electronegative. |
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Corporate Author |
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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 |
000309329300094 |
Publication Date |
2012-09-10 |
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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 |
0003-6951; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.411 |
Times cited |
26 |
Open Access |
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Notes |
|
Approved |
Most recent IF: 3.411; 2012 IF: 3.794 |
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Call Number |
UA @ lucian @ c:irua:100637 |
Serial |
802 |
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Author |
Erbe, M.; Hänisch, J.; Hühne, R.; Freudenberg, T.; Kirchner, A.; Molina-Luna, L.; Damm, C.; Van Tendeloo, G.; Kaskel, S.; Schultz, L.; Holzapfel, B. |
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Title |
BaHfO3artificial pinning centres in TFA-MOD-derived YBCO and GdBCO thin films |
Type |
A1 Journal article |
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Year |
2015 |
Publication |
Superconductor science and technology |
Abbreviated Journal |
Supercond Sci Tech |
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Volume |
28 |
Issue |
28 |
Pages |
114002 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
Chemical solution deposition (CSD) is a promising way to realize REBa2Cu3O7−x (REBCO;RE = rare earth (here Y, Gd))-coated conductors with high performance in applied magnetic fields. However, the preparation process contains numerous parameters which need to be tuned to achieve high-quality films. Therefore, we investigated the growth of REBCO thin films containing nanometre-scale BaHfO3 (BHO) particles as pinning centres for magnetic flux lines, with emphasis on the influence of crystallization temperature and substrate on the microstructure and superconductivity. Conductivity, microscopy and x-ray investigations show an enhanced performance of BHO nano-composites in comparison to pristine REBCO. Further, those measurements reveal the superiority of GdBCO to YBCO—e.g. by inductive critical current densities, Jc, at self-field and 77 K. YBCO is outperformed by more than 1 MA cm−2 with Jc values of up to 5.0 MA cm−2 for 265 nm thick layers of GdBCO(BHO) on lanthanum aluminate. Transport in-field Jc measurements demonstrate high pinning force maxima of around 4 GN m−3 for YBCO(BHO) and GdBCO(BHO). However, the irreversibility fields are appreciably higher for GdBCO. The critical temperature was not significantly reduced upon BHO addition to both YBCO and GdBCO, indicating a low tendency for Hf diffusion into the REBCO matrix. Angular-dependent Jc measurements show a reduction of the anisotropy in the same order of magnitude for both REBCO compounds. Theoretical models suggest that more than one sort of pinning centre is active in all CSD films. |
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000366193000003 |
Publication Date |
2015-09-25 |
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0953-2048;1361-6668; |
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UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.878 |
Times cited |
36 |
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Notes |
Experimental work was mainly done at IFW Dresden. We thank Juliane Scheiter and Dr Jens Ingolf Mönch of IFW Dresden for technical assistance. The research leading to these results received funding from EUROTAPES, a collaborative project funded by the European Union Seventh Framework Programme (FP7/2007–2013) under grant agreement no. NMP-LA-2012-280 432. L Molina-Luna and G Van Tendeloo acknowledge funding from the European Research Council (ERC grant nr. 24 691-COUNTATOMS). |
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Most recent IF: 2.878; 2015 IF: 2.325 |
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Call Number |
c:irua:129200 |
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3941 |
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Author |
Şentürk, D.G.; De Backer, A.; Van Aert, S. |
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Element specific atom counting for heterogeneous nanostructures: Combining multiple ADF STEM images for simultaneous thickness and composition determination |
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A1 Journal Article |
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2024 |
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Ultramicroscopy |
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Ultramicroscopy |
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259 |
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113941 |
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A1 Journal Article; Electron Microscopy for Materials Science (EMAT) ; |
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In this paper, a methodology is presented to count the number of atoms in heterogeneous nanoparticles based on the combination of multiple annular dark field scanning transmission electron microscopy (ADF STEM) images. The different non-overlapping annular detector collection regions are selected based on the principles of optimal statistical experiment design for the atom-counting problem. To count the number of atoms, the total intensities of scattered electrons for each atomic column, the so-called scattering cross-sections, are simultaneously compared with simulated library values for the different detector regions by minimising the squared differences. The performance of the method is evaluated for simulated Ni@Pt and Au@Ag core-shell nanoparticles. Our approach turns out to be a dose efficient alternative for the investigation of beam-sensitive heterogeneous materials as compared to the combination of ADF STEM and energy dispersive X-ray spectroscopy. |
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2024-02-19 |
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0304-3991 |
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Impact Factor |
2.2 |
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This work was supported by the European Research Council (Grant 770887 PICOMETRICS to S. Van Aert). The authors acknowledge financial support from the Research Foundation Flanders (FWO, Belgium) through project fundings (G.0346.21N, GOA7723N, and EOS 40007495) and a postdoctoral grant to A. De Backer. S. Van Aert acknowledges funding from the University of Antwerp Research fund (BOF). |
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Most recent IF: 2.2; 2024 IF: 2.843 |
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EMAT @ emat @ |
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8996 |
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