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Author |
Hao, Y.L.; Djotyan, A.P.; Avetisyan, A.A.; Peeters, F.M. |
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Title |
D- shallow donor near a semiconductor-metal and a semiconductor-dielectric interface |
Type |
A1 Journal article |
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Year |
2011 |
Publication |
Journal of physics : condensed matter |
Abbreviated Journal |
J Phys-Condens Mat |
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Volume |
23 |
Issue |
11 |
Pages |
115303,1-115313,9 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
The ground state energy and the extent of the wavefunction of a negatively charged donor (D − ) located near a semiconductormetal or a semiconductordielectric interface are obtained. We apply the effective mass approximation and use a variational two-electron wavefunction that takes into account the influence of all image charges that arise due to the presence of the interface, as well as the correlation between the two electrons bound to the donor. For a semiconductormetal interface, the D − binding energy is enhanced for donor positions d > 1.5aB (aB is the effective Bohr radius) due to the additional attraction of the electrons with their images. When the donor approaches the interface (i.e. d < 1.5aB) the D − binding energy drops and eventually it becomes unbound. For a semiconductordielectric (or a semiconductorvacuum) interface the D − binding energy is reduced for any donor position as compared to the bulk case and the system becomes rapidly unbound when the donor approaches the interface. |
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Place of Publication |
London |
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Wos |
000287969200013 |
Publication Date |
2011-03-04 |
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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 |
0953-8984;1361-648X; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.649 |
Times cited |
5 |
Open Access |
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Notes |
; This work was supported by the Belgian Science Policy (IAP) and the Brazilian Science Foundation CNPq. One of us (AAA) was supported by a fellowship from the Belgian Federal Science Policy Office (IAP). ; |
Approved |
Most recent IF: 2.649; 2011 IF: 2.546 |
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Call Number |
UA @ lucian @ c:irua:88828 |
Serial |
3528 |
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Permanent link to this record |
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Author |
Lima, I.L.C.; Milošević, M.V.; Peeters, F.M.; Chaves, A. |
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Title |
Tuning of exciton type by environmental screening |
Type |
A1 Journal article |
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Year |
2023 |
Publication |
Physical review B |
Abbreviated Journal |
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Volume |
108 |
Issue |
11 |
Pages |
115303-115308 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
We theoretically investigate the binding energy and electron-hole (e-h) overlap of excitonic states confined at the interface between two-dimensional materials with type-II band alignment, i.e., with lowest conduction and highest valence band edges placed in different materials, arranged in a side-by-side planar heterostructure. We propose a variational procedure within the effective mass approximation to calculate the exciton ground state and apply our model to a monolayer MoS2/WS2 heterostructure. The role of nonabrupt interfaces between the materials is accounted for in our model by assuming a WxMo1-xS2 alloy around the interfacial region. Our results demonstrate that (i) interface-bound excitons are energetically favorable only for small interface thickness and/or for systems under high dielectric screening by the materials surrounding the monolayer, and that (ii) the interface exciton binding energy and its e-h overlap are controllable by the interface width and dielectric environment. |
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Wos |
001077758300002 |
Publication Date |
2023-09-08 |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
2469-9969; 2469-9950 |
ISBN |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
3.7 |
Times cited |
1 |
Open Access |
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Notes |
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Approved |
Most recent IF: 3.7; 2023 IF: 3.836 |
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Call Number |
UA @ admin @ c:irua:200356 |
Serial |
9110 |
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Permanent link to this record |
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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 |
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Year |
2001 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
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Volume |
63 |
Issue |
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Pages |
115302-115310 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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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 |
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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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Wos |
000281516300005 |
Publication Date |
2010-09-03 |
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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 |
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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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Wos |
000347239900030 |
Publication Date |
2014-12-26 |
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Abbreviated Series Title |
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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 |
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Year |
2022 |
Publication |
Physica. E: Low-dimensional systems and nanostructures |
Abbreviated Journal |
Physica E |
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Volume |
141 |
Issue |
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Pages |
115212-115216 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
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Abstract |
We conduct ballistic transport calculations to study the electronic transport properties of diazatriptycene molecule which can be self-assembled on metallic surfaces with uniform coverage and upright orientation of the functional head group. Due to its structural asymmetry, the molecule shows a clear current rectification, where the level of the rectification depends on the nature of the head group. For example, current rectification can be increased by more than a factor of 2 by anchoring the molecules to the electrode by CN functional group or introducing insulating CH2 group between the thiol end group and the adjacent phenyl ring. Our findings show the possibility of creating self-assembled monolayer of DAT molecules with controlled electronic transport properties through functionalization of the head group. |
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Wos |
000806548600006 |
Publication Date |
2022-03-04 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1386-9477 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.3 |
Times cited |
2 |
Open Access |
Not_Open_Access |
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Notes |
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Approved |
Most recent IF: 3.3 |
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Call Number |
UA @ admin @ c:irua:189041 |
Serial |
7147 |
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Permanent link to this record |
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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 |
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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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Place of Publication |
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Wos |
000282125700002 |
Publication Date |
2010-09-27 |
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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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Permanent link to this record |
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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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Publisher |
American Physical Society |
Place of Publication |
New York, N.Y |
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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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Permanent link to this record |
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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 |
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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 |
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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Wos |
000366193000018 |
Publication Date |
2015-09-25 |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0953-2048;1361-6668; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.878 |
Times cited |
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 |
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 |
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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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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 |
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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 |
|
Permanent link to this record |
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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 |
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Year |
2021 |
Publication |
Physica E-Low-Dimensional Systems & Nanostructures |
Abbreviated Journal |
Physica E |
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Volume |
131 |
Issue |
|
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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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 |
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 |
|
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 |
|
Approved |
Most recent IF: 2.221 |
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Call Number |
UA @ admin @ c:irua:178346 |
Serial |
7030 |
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Permanent link to this record |
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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 |
|
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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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 |
|
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 |
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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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Permanent link to this record |
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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 |
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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 |
13 |
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 |
Chaves, A.; Peeters, F.M. |
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Title |
Tunable effective masses of magneto-excitons in two-dimensional materials |
Type |
A1 Journal article |
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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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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 |
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 |
|
Series Issue |
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Edition |
|
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ISSN |
0038-1098 |
ISBN |
|
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 |
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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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 |
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 |
|
Series Issue |
|
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 |
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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Permanent link to this record |
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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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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 |
000366193000003 |
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 |
36 |
Open Access |
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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). |
Approved |
Most recent IF: 2.878; 2015 IF: 2.325 |
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Call Number |
c:irua:129200 |
Serial |
3941 |
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Permanent link to this record |
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Author |
Papp, G.; Borza, S.; Peeters, F.M. |
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Title |
Spin transport in a Mn-doped ZnSe asymmetric tunnel structure |
Type |
A1 Journal article |
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Year |
2005 |
Publication |
Journal of applied physics |
Abbreviated Journal |
J Appl Phys |
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Volume |
97 |
Issue |
11 |
Pages |
113901-113905 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Spin-dependent tunneling of electrons in a diluted magnetic semiconductor ZnSe/Zn1-xMnxSe/Zn1-yMnySe/ZnSe/Zn1-xMnxSe/ZnSe heterostructure is investigated theoretically in the presence of parallel magnetic and electric fields, but our modeling is appropriate for any dilute magnetic II-VI semiconductor system. In the studied asymmetric system the transmission of electrons and the degree of spin polarization depend on the strength of the magnetic and electric fields and on the direction of the applied bias. For suitable magnetic fields, the output current of the system exhibits a nearly 100% spin polarization and the device can be used as a spin filter. (C) 2005 American Institute of Physics. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
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Language |
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Wos |
000229804700072 |
Publication Date |
2005-05-20 |
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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 |
0021-8979; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.068 |
Times cited |
26 |
Open Access |
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Notes |
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Approved |
Most recent IF: 2.068; 2005 IF: 2.498 |
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Call Number |
UA @ lucian @ c:irua:102728 |
Serial |
3102 |
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Permanent link to this record |
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Author |
Papp, G.; Peeters, F.M. |
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Title |
Resistance maps for a submicron Hall electrosensor in the diffusive regime |
Type |
A1 Journal article |
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Year |
2007 |
Publication |
Journal of applied physics |
Abbreviated Journal |
J Appl Phys |
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Volume |
101 |
Issue |
11 |
Pages |
113717,1-6 |
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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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Corporate Author |
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Thesis |
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Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
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Language |
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Wos |
000247306000084 |
Publication Date |
2007-06-16 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0021-8979; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.068 |
Times cited |
7 |
Open Access |
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Notes |
|
Approved |
Most recent IF: 2.068; 2007 IF: 2.171 |
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Call Number |
UA @ lucian @ c:irua:69645 |
Serial |
2879 |
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Permanent link to this record |
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Author |
Milovanovic, S.P.; Masir, M.R.; Peeters, F.M. |
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Title |
Bilayer graphene Hall bar with a pn-junction |
Type |
A1 Journal article |
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Year |
2013 |
Publication |
Journal of applied physics |
Abbreviated Journal |
J Appl Phys |
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Volume |
114 |
Issue |
11 |
Pages |
113706 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
We investigate the magnetic field dependence of the Hall and the bend resistances for a ballistic Hall bar structure containing a pn-junction sculptured from a bilayer of graphene. The electric response is obtained using the billiard model, and we investigate the cases of bilayer graphene with and without a band gap. Two different conduction regimes are possible: (i) both sides of the junction have the same carrier type and (ii) one side of the junction is n-type while the other one is p-type. The first case shows Hall plateau-like features in the Hall resistance that fade away as the band gap opens. The second case exhibits a bend resistance that is asymmetric in magnetic field as a consequence of snake states along the pn-interface, where the maximum is shifted away from zero magnetic field. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
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Language |
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Wos |
000324827200031 |
Publication Date |
2013-09-17 |
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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 |
0021-8979; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
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Impact Factor |
2.068 |
Times cited |
3 |
Open Access |
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|
Notes |
This work was supported by the Flemish Science Foundation (FWO-Vl), the European Science Foundation (ESF) under the EUROCORES Program EuroGRAPHENE within the project CONGRAN, and the Methusalem Foundation of the Flemish government. |
Approved |
Most recent IF: 2.068; 2013 IF: 2.185 |
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Call Number |
UA @ lucian @ c:irua:111169 |
Serial |
234 |
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Permanent link to this record |
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Author |
de Sousa, A.A.; Chaves, A.; Pereira, T.A.S.; de Farias, G.A.; Peeters, F.M. |
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Title |
Wave packet propagation through branched quantum rings under applied magnetic fields |
Type |
A1 Journal article |
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Year |
2019 |
Publication |
Physica. E: Low-dimensional systems and nanostructures |
Abbreviated Journal |
Physica E |
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Volume |
114 |
Issue |
114 |
Pages |
113598 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
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Abstract |
We investigate the effect of opening and closing pathways on the dynamics of electron wave packets in semiconductor quantum rings with different geometries. Our analysis is based on the time evolution of an electron wave packet, within the effective-mass approximation. We demonstrate that opening an extra channel in the quantum ring does not necessarily improve the electron transmission and, depending on the extra channel width, may even reduce it, either due to enhancement of quantum scattering or due to interference. In the latter case, transmission reduction can be controlled through the Aharonov-Bohm phase of the wave function, via an applied magnetic field. It is also shown that, closing one of the channels of the quantum ring, system improves the transmission probability under specific conditions, an effect which is a quantum analog of the Braess paradox. |
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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 |
000482637000039 |
Publication Date |
2019-06-13 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
|
|
|
ISSN |
1386-9477 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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|
Impact Factor |
2.221 |
Times cited |
|
Open Access |
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|
Notes |
; This work was financially supported by PRONEX/CNPq/FUNCAP, Science Without Boards (Ciencias Sem Fronteiras) and the bilateral project CNPq-FWO. A. A. Sousa was financially supported by CAPES, under the PDSE contract BEX 7177/ 13-5. T. A. S. Pereira was financially supported by PRONEX/CNPq/FAPEMAT 850109/ 2009 and by CAPES under process BEX 3299/13-9. ; |
Approved |
Most recent IF: 2.221 |
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Call Number |
UA @ admin @ c:irua:162777 |
Serial |
5432 |
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Permanent link to this record |
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Author |
Chen, Y.Y.; Pourtois, G.; Adelmann, C.; Goux, L.; Govoreanu, B.; Degreave, R.; Jurczak, M.; Kittl, J.A.; Groeseneken, G.; Wouters, D.J. |
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Title |
Insights into Ni-filament formation in unipolar-switching Ni/HfO2/TiN resistive random access memory device |
Type |
A1 Journal article |
|
Year |
2012 |
Publication |
Applied physics letters |
Abbreviated Journal |
Appl Phys Lett |
|
|
Volume |
100 |
Issue |
11 |
Pages |
113513-113513,4 |
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|
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
In this letter, CMOS-compatible Ni/HfO2/TiN resistive random access memory stacks demonstrated attractive unipolar switching properties, showing >10(3) endurance and long retention at 150 degrees C. The Ni bottom electrode (BE) improved the switching yield over the NiSiPt BE. To better understand the unipolar forming mechanism, ab initio simulation and time of flight-secondary ion mass spectroscopy were utilized. Compared to the NiSiPt BE, Ni BE gives larger Ni diffusion in the HfO2 and lower formation enthalpy of Ni2+ species during electrical forming. Both the electrical and physical results supported a Ni-injection mechanism for the filament formation. (C) 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.3695078] |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
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Language |
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Wos |
000302204900091 |
Publication Date |
2012-03-17 |
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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 |
|
|
|
ISSN |
0003-6951; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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|
Impact Factor |
3.411 |
Times cited |
29 |
Open Access |
|
|
|
Notes |
|
Approved |
Most recent IF: 3.411; 2012 IF: 3.794 |
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Call Number |
UA @ lucian @ c:irua:98295 |
Serial |
1674 |
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Permanent link to this record |
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Author |
Schweigert, I.V.; Schweigert, V.A.; Peeters, F.M. |
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Title |
Perturbation of collisional plasma flow around a charged dust particle: kinetic analysis |
Type |
A1 Journal article |
|
Year |
2005 |
Publication |
Physics of plasmas |
Abbreviated Journal |
Phys Plasmas |
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Volume |
12 |
Issue |
11 |
Pages |
113501,1-9 |
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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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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Woodbury, N.Y. |
Editor |
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Language |
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Wos |
000233569600046 |
Publication Date |
2005-11-07 |
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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 |
|
|
|
ISSN |
1070-664X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
2.115 |
Times cited |
15 |
Open Access |
|
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|
Notes |
|
Approved |
Most recent IF: 2.115; 2005 IF: 2.182 |
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Call Number |
UA @ lucian @ c:irua:56048 |
Serial |
2575 |
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Permanent link to this record |
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Author |
Peelaers, H.; Partoens, B.; Peeters, F.M. |
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Title |
Electronic and dynamical properties of Si/Ge core-shell nanowires |
Type |
A1 Journal article |
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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 |
113411-113411,4 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Full ab initio techniques are applied to study the electronic and dynamical properties of free standing, hydrogen-passivated Si/Ge core-shell nanowires oriented along the [110] direction. All studied wires exhibit a direct band gap and are found to be structurally stable. The different contributions of the core and shell atoms to the phonon spectra are identified. The acoustic phonon velocities and the frequencies of some typical optical modes are compared with those of pure Si and Ge nanowires. These depend either on the concentration or on the type of core material. Optical modes are hardened and longitudinal acoustic velocities are softened with decreasing wire diameter. |
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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 |
000282270000001 |
Publication Date |
2010-09-29 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
|
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ISSN |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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|
Impact Factor |
3.836 |
Times cited |
13 |
Open Access |
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|
Notes |
; This work was supported by the Flemish Science Foundation (FWO-Vl), the Belgian Science Policy (IAP), and NOI-BOF (University of Antwerp). ; |
Approved |
Most recent IF: 3.836; 2010 IF: 3.774 |
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Call Number |
UA @ lucian @ c:irua:85421 |
Serial |
995 |
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Permanent link to this record |
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Author |
Gou, F.; Neyts, E.; Eckert, M.; Tinck, S.; Bogaerts, A. |
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Title |
Molecular dynamics simulations of Cl+ etching on a Si(100) surface |
Type |
A1 Journal article |
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Year |
2010 |
Publication |
Journal of applied physics |
Abbreviated Journal |
J Appl Phys |
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Volume |
107 |
Issue |
11 |
Pages |
113305,1-113305,6 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
Molecular dynamics simulations using improved TersoffBrenner potential parameters were performed to investigate Cl+ etching of a {2×1} reconstructed Si(100) surface. Steady-state Si etching accompanying the Cl coverage of the surface is observed. Furthermore, a steady-state chlorinated reaction layer is formed. The thickness of this reaction layer is found to increase with increasing energy. The stoichiometry of SiClx species in the reaction layer is found to be SiCl:SiCl2:SiCl3 = 1.0:0.14:0.008 at 50 eV. These results are in excellent agreement with available experimental data. While elemental Si products are created by physical sputtering, most SiClx (0<x<4) etch products are produced by chemical-enhanced physical sputtering. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
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Language |
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Wos |
000278907100018 |
Publication Date |
2010-06-04 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
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Edition |
|
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|
ISSN |
0021-8979; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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|
Impact Factor |
2.068 |
Times cited |
15 |
Open Access |
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Notes |
|
Approved |
Most recent IF: 2.068; 2010 IF: 2.079 |
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Call Number |
UA @ lucian @ c:irua:82663 |
Serial |
2175 |
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Permanent link to this record |
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Author |
Firmansyah, I.; Carsjens, G.J.; de Ruijter, F.J.; Zeeman, G.; Spiller, M. |
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Title |
An integrated assessment of environmental, economic, social and technological parameters of source separated and conventional sanitation concepts : a contribution to sustainability analysis |
Type |
A1 Journal article |
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Year |
2021 |
Publication |
Journal Of Environmental Management |
Abbreviated Journal |
J Environ Manage |
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Volume |
295 |
Issue |
|
Pages |
113131 |
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Keywords |
A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL) |
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Abstract |
Resource recovery and reuse from domestic wastewater has become an important subject for the current development of sanitation technologies and infrastructures. Different technologies are available and combined into sanitation concepts, with different performances. This study provides a methodological approach to evaluate the sustainability of these sanitation concepts with focus on resource recovery and reuse. St. Eustatius, a small tropical island in the Caribbean, was used as a case study for the evaluation. Three source separation-communityon-site and two combined sewerage island-scale concepts were selected and compared in terms of environmental (net energy use, nutrient recovery/reuse, BOD/COD, pathogens, and GHG emission, land use), economic (CAPEX and OPEX), social cultural (acceptance, required competences and education), and technological (flexibility/ adaptability, reliability/continuity of service) indicators. The best performing concept, is the application of Upflow Anaerobic Sludge Bed (UASB) and Trickling Filter (TF) at island level for combined domestic wastewater treatment with subsequent reuse in agriculture. Its overall average normalised score across the four categories (i. e., average of average per category) is about 15% (0.85) higher than the values of the remaining systems and with a score of 0.73 (conventional activated sludge – centralised level), 0.77 (UASB-septic tank (ST)), 0.76 (UASB-TF – community level), and 0.75 (ST – household level). The higher score of the UASB-TF at community level is mainly due to much better performance in the environmental and economic categories. In conclusion, the case study provides a methodological approach that can support urban planning and decision-making in selecting more sustainable sanitation concepts, allowing resource recovery and reuse in small island context or in other contexts. |
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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 |
000681105800003 |
Publication Date |
2021-06-30 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
|
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ISSN |
0301-4797 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
4.01 |
Times cited |
|
Open Access |
OpenAccess |
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Notes |
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Approved |
Most recent IF: 4.01 |
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Call Number |
UA @ admin @ c:irua:180488 |
Serial |
7437 |
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Permanent link to this record |
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Author |
Xue, C.; He, A.; Milošević, M.V.; Silhanek, A., V; Zhou, Y.-H. |
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Title |
Open circuit voltage generated by dragging superconducting vortices with a dynamic pinning potential |
Type |
A1 Journal article |
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Year |
2019 |
Publication |
New journal of physics |
Abbreviated Journal |
New J Phys |
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Volume |
21 |
Issue |
11 |
Pages |
113044 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
We theoretically investigate, through Ginzburg?Landau simulations, the possibility to induce an open circuit voltage in absence of applied current, by dragging superconducting vortices with a dynamic pinning array as for instance that created by a nearby sliding vortex lattice or moving laser spots. Different dynamic regimes, such as synchronous vortex motion or dynamic vortex chains consisting of laggard vortices, can be observed by varying the velocity of the sliding pinning potential and the applied magnetic field. Additionally, due to the edge barrier, significantly different induced voltage is found depending on whether the vortices are dragged along the superconducting strip or perpendicular to the lateral edges. The output voltage in the proposed mesoscopic superconducting dynamo can be tuned by varying size, density and directions of the sliding pinning potential. |
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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 |
000498853700001 |
Publication Date |
2019-11-05 |
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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 |
1367-2630 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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|
Impact Factor |
3.786 |
Times cited |
6 |
Open Access |
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Notes |
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Approved |
Most recent IF: 3.786 |
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Call Number |
UA @ admin @ c:irua:165158 |
Serial |
6317 |
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Permanent link to this record |
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Author |
Velazco, A.; Nord, M.; Béché, A.; Verbeeck, J. |
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Title |
Evaluation of different rectangular scan strategies for STEM imaging |
Type |
A1 Journal article |
|
Year |
2020 |
Publication |
Ultramicroscopy |
Abbreviated Journal |
Ultramicroscopy |
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Volume |
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Issue |
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Pages |
113021 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
STEM imaging is typically performed by raster scanning a focused electron probe over a sample. Here we investigate and compare three different scan patterns, making use of a programmable scan engine that allows to arbitrarily set the sequence of probe positions that are consecutively visited on the sample. We compare the typical raster scan with a so-called ‘snake’ pattern where the scan direction is reversed after each row and a novel Hilbert scan pattern that changes scan direction rapidly and provides an homogeneous treatment of both scan directions. We experimentally evaluate the imaging performance on a single crystal test sample by varying dwell time and evaluating behaviour with respect to sample drift. We demonstrate the ability of the Hilbert scan pattern to more faithfully represent the high frequency content of the image in the presence of sample drift. It is also shown that Hilbert scanning provides reduced bias when measuring lattice parameters from the obtained scanned images while maintaining similar precision in both scan directions which is especially important when e.g. performing strain analysis. Compared to raster scanning with flyback correction, both snake and Hilbert scanning benefit from dose reduction as only small probe movement steps occur. |
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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 |
000544042800007 |
Publication Date |
2020-05-21 |
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Series Editor |
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Series Title |
|
Abbreviated Series Title |
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Series Volume |
|
Series Issue |
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Edition |
|
|
|
ISSN |
0304-3991 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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|
Impact Factor |
2.2 |
Times cited |
13 |
Open Access |
OpenAccess |
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|
Notes |
A.V., A.B. and J.V. acknowledge funding through FWO project G093417N ('Compressed sensing enabling low dose imaging in transmission electron microscopy') from the Flanders Research Fund. M.N. received support for this work from the European Union's Horizon 2020 research and innovation programme under the Marie Skłodowska-Curie grant agreement No 838001. J.V acknowledges funding from the European Union's Horizon 2020 research and innovation programme under grant agreement No 823717 – ESTEEM3. |
Approved |
Most recent IF: 2.2; 2020 IF: 2.843 |
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Call Number |
EMAT @ emat @c:irua:169225 |
Serial |
6369 |
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Permanent link to this record |
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Author |
Krishnamurthy, S.C.; Arseenko, M.; Kashiwar, A.; Dufour, P.; Marchal, Y.; Delahaye, J.; Idrissi, H.; Pardoen, T.; Mertens, A.; Simar, A. |
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Title |
Controlled precipitation in a new Al-Mg-Sc alloy for enhanced corrosion behavior while maintaining the mechanical performance |
Type |
A1 Journal article |
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Year |
2023 |
Publication |
Materials characterization |
Abbreviated Journal |
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Volume |
200 |
Issue |
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Pages |
112886-11 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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Abstract |
The hot working of 5xxx series alloys with Mg ≥3.5 wt% is a concern due to the precipitation of β (Al3Mg2) phase at grain boundaries favoring Inter Granular Corrosion (IGC). The mechanical and corrosion properties of a new 5028-H116 Al-Mg-Sc alloy under various β precipitates distribution is analyzed by imposing different cooling rates from the hot forming temperature (i.e. 325 °C). The mechanical properties are maintained regardless of the heat treatment. However, the different nucleation sites and volume fractions of β precipitates for different cooling rates critically affect IGC. Controlled furnace cooling after the 325 °C heat treatment is ideal in 5028-H116 alloy to reduce susceptibility to IGC after sensitization. |
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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 |
000977059100001 |
Publication Date |
2023-04-03 |
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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 |
|
Series Issue |
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Edition |
|
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|
ISSN |
1044-5803 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
4.7 |
Times cited |
|
Open Access |
OpenAccess |
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Notes |
|
Approved |
Most recent IF: 4.7; 2023 IF: 2.714 |
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Call Number |
UA @ admin @ c:irua:195598 |
Serial |
7291 |
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Permanent link to this record |
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Author |
Kashiwar, A.; Arseenko, M.; Simar, A.; Idrissi, H. |
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Title |
On the role of microstructural defects on precipitation, damage, and healing behavior in a novel Al-0.5Mg2Si alloy |
Type |
A1 Journal article |
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Year |
2024 |
Publication |
Materials & design |
Abbreviated Journal |
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Volume |
239 |
Issue |
|
Pages |
112765-112769 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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Abstract |
A recently developed healable Al-Mg2Si designed by the programmed damage and repair (PDR) strategy is studied considering the role microstructural defects play on precipitation, damage, and healing. The alloy incorporates sacrificial Mg2Si particles that precipitate after friction stir processing (FSP). They act as damage localization sites and are healable based on the solid-state diffusion of Al-matrix. A combination of different transmission electron microscopy (TEM) imaging techniques enabled the visualization and quantification of various crystallographic defects and the spatial distribution of Mg2Si precipitates. Intragrain nucleation is found to be the dominant mechanism for precipitation during FSP whereas grain boundaries and subgrain boundaries mainly lead to coarsening of the precipitates. The statistical and spatial analyses of the damaged particles have shown particle fracture as the dominant damage mechanism which is strongly dependent on the size and aspect ratio of the particles whereas the damage was not found to depend on the location of the precipitates within the matrix. The damaged particles are associated with dislocations accumulated around them. The interplay of these dislocations is directly visualized during healing based on in situ TEM heating which revealed recovery in the matrix as an operative mechanism during the diffusion healing of the PDR alloy. |
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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 |
001194110200001 |
Publication Date |
2024-02-17 |
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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 |
0264-1275; 1873-4197 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
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Impact Factor |
8.4 |
Times cited |
|
Open Access |
Not_Open_Access |
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Notes |
|
Approved |
Most recent IF: 8.4; 2024 IF: 4.364 |
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Call Number |
UA @ admin @ c:irua:203298 |
Serial |
9068 |
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Permanent link to this record |
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Author |
Hassani, N.; Yagmurcukardes, M.; Peeters, F.M.; Neek-Amal, M. |
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Title |
Chlorinated phosphorene for energy application |
Type |
A1 Journal article |
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Year |
2024 |
Publication |
Computational materials science |
Abbreviated Journal |
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Volume |
231 |
Issue |
|
Pages |
112625-112628 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
The influence of decoration with impurities and the composition dependent band gap in 2D materials has been the subject of debate for a long time. Here, by using Density Functional Theory (DFT) calculations, we systematically disclose physical properties of chlorinated phosphorene having the stoichiometry of PmCln. By analyzing the adsorption energy, charge density, migration energy barrier, structural, vibrational, and electronic properties of chlorinated phosphorene, we found that (I) the Cl-P bonds are strong with binding energy Eb =-1.61 eV, decreases with increasing n. (II) Cl atoms on phosphorene have anionic feature, (III) the migration path of Cl on phosphorene is anisotropic with an energy barrier of 0.38 eV, (IV) the phonon band dispersion reveal that chlorinated phosphorenes are stable when r <= 0.25 where r = m/n, (V) chlorinated phosphorenes is found to be a photonic crystal in the frequency range of 280 cm-1 to 325 cm-1, (VI) electronic band structure of chlorinated phosphorenes exhibits quasi-flat bands emerging around the Fermi level with widths in the range of 22 meV to 580 meV, and (VII) Cl adsorption causes a semiconducting to metallic/semi-metallic transition which makes it suitable for application as an electroactive material. To elucidate this application, we investigated the change in binding energy (Eb), specific capacity, and open-circuit voltage as a function of the density of adsorbed Cl. The theoretical storage capacity of the chlorinated phosphorene is found to be 168.19 mA h g-1with a large average voltage (similar to 2.08 V) which is ideal number as a cathode in chloride-ion batteries. |
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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 |
001110003400001 |
Publication Date |
2023-11-04 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
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|
ISSN |
0927-0256 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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|
Impact Factor |
3.3 |
Times cited |
2 |
Open Access |
Not_Open_Access |
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Notes |
|
Approved |
Most recent IF: 3.3; 2024 IF: 2.292 |
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Call Number |
UA @ admin @ c:irua:202125 |
Serial |
9008 |
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Permanent link to this record |