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Records |
Links |
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Author |
Vasilopoulos, P.; Wang, X.F.; Peeters, F.M.; Chowdhury, S.; Long, A.R.; Davies, J.H. |
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| |
Title |
Magneto resistance oscillations in a modulated 2DEG periodic in the ratio h/e to flux per unit cell |
Type |
A1 Journal article |
| |
Year |
2004 |
Publication |
Physica. E: Low-dimensional systems and nanostructures
T2 – 15th International Conference on Electronic Properties of, Two-Dimensional Systems (EP2DS-15), JUL 14-18, 2003, Nara, JAPAN |
Abbreviated Journal |
Physica E |
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| |
Volume  |
22 |
Issue |
1-3 |
Pages |
389-393 |
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| |
Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
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| |
Abstract |
Transport properties of the 2DEG are studied in the presence of a normal magnetic field B and of a weak, two-dimensional periodic potential modulation. A tight-binding treatment has shown that each Landau level splits into several subbands with exponentially small gaps between them. Assuming the latter are closed due to disorder gives analytical wave functions and simplifies the evaluation of the magnetoresistance tensor p(muv) The relative phase of the oscillations in p(xx) and p(yy) depends on the modulation strengths and periods. For short periods less than or equal to 100 nm, in addition to the Weiss oscillations, the collisional contribution to the conductivity and the corresponding resistivity contribution show prominent peaks when one flux quantum h/e passes through an integral number of unit cells in good agreement with experiments. For periods 300-400 nm long used in early experiments, these peaks occur at fields 10-25 times smaller than those of the Weiss oscillations and are not resolved. (C) 2003 Elsevier B.V. All rights reserved. |
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Corporate Author |
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Thesis |
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Publisher |
North-Holland |
Place of Publication |
Amsterdam |
Editor |
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Language |
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Wos |
000221140800094 |
Publication Date |
2004-02-10 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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| |
ISSN |
1386-9477; |
ISBN |
|
Additional Links |
UA library record; WoS full record |
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| |
Impact Factor |
2.221 |
Times cited |
|
Open Access |
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| |
Notes |
|
Approved |
Most recent IF: 2.221; 2004 IF: 0.898 |
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| |
Call Number |
UA @ lucian @ c:irua:104107 |
Serial |
1911 |
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| Permanent link to this record |
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Author |
Ibrahim, I.S.; Schweigert, V.A.; Badalian, S.M.; Peeters, F.M. |
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| |
Title |
Magneto-transport of electrons in a nonhomogeneous magnetic field |
Type |
A1 Journal article |
| |
Year |
1997 |
Publication |
Superlattices and microstructures |
Abbreviated Journal |
Superlattice Microst |
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| |
Volume |
22 |
Issue |
|
Pages |
203-207 |
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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 |
London |
Editor |
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Language |
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Wos |
A1997XV53900010 |
Publication Date |
0000-00-00 |
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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 |
0749-6036 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
2.123 |
Times cited |
3 |
Open Access |
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| |
Notes |
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Approved |
Most recent IF: 2.123; 1997 IF: 0.694 |
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| |
Call Number |
UA @ lucian @ c:irua:19301 |
Serial |
1912 |
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| Permanent link to this record |
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Author |
Depla, D.; Chen, Z.Y.; Bogaerts, A.; Ignatova, V.; de Gryse, R.; Gijbels, R. |
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Title |
Modeling of the target surface modification by reactive ion implantation during magnetron sputtering |
Type |
A1 Journal article |
| |
Year |
2004 |
Publication |
Journal of vacuum science and technology: A: vacuum surfaces and films |
Abbreviated Journal |
J Vac Sci Technol A |
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| |
Volume |
22 |
Issue |
4 |
Pages |
1524-1529 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
New York, N.Y. |
Editor |
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Language |
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Wos |
000223322000075 |
Publication Date |
2004-07-27 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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| |
ISSN |
0734-2101; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
1.374 |
Times cited |
13 |
Open Access |
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| |
Notes |
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Approved |
Most recent IF: 1.374; 2004 IF: 1.557 |
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| |
Call Number |
UA @ lucian @ c:irua:47331 |
Serial |
2137 |
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| Permanent link to this record |
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Author |
Martens, T.; Bogaerts, A.; Brok, W.J.M.; van der Mullen, J.J.A.M. |
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| |
Title |
Modeling study on the influence of the pressure on a dielectric barrier discharge microplasma |
Type |
A1 Journal article |
| |
Year |
2007 |
Publication |
Journal of analytical atomic spectrometry |
Abbreviated Journal |
J Anal Atom Spectrom |
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| |
Volume |
22 |
Issue |
9 |
Pages |
1003-1042 |
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| |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
London |
Editor |
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Language |
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Wos |
000248917300013 |
Publication Date |
2007-06-22 |
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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 |
0267-9477;1364-5544; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
3.379 |
Times cited |
17 |
Open Access |
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| |
Notes |
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Approved |
Most recent IF: 3.379; 2007 IF: 3.269 |
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| |
Call Number |
UA @ lucian @ c:irua:64791 |
Serial |
2140 |
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| Permanent link to this record |
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Author |
Anisimovas, E.; Peeters, F.M. |
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| |
Title |
Negative trions in coupled quantum dots |
Type |
A1 Journal article |
| |
Year |
2004 |
Publication |
Physica. E: Low-dimensional systems and nanostructures
T2 – 15th International Conference on Electronic Properties of, Two-Dimensional Systems (EP2DS-15), JUL 14-18, 2003, Nara, JAPAN |
Abbreviated Journal |
Physica E |
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| |
Volume |
22 |
Issue |
1-3 |
Pages |
566-569 |
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| |
Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
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| |
Abstract |
We present an exact diagonalization study of negatively charged excitonic trions in two vertically coupled parabolic quantum dots. The electrons and the hole are confined to different dots. We obtain the energy spectra as a function of inter-dot separation and external magnetic field strength and identify different ground-state angular momentum transitions which are accompanied by abrupt charge redistributions in the dots. (C) 2003 Elsevier B.V. All rights reserved. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
North-Holland |
Place of Publication |
Amsterdam |
Editor |
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| |
Language |
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Wos |
000221140800137 |
Publication Date |
2004-02-12 |
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| |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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| |
Series Volume |
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Series Issue |
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Edition |
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|
| |
ISSN |
1386-9477; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
2.221 |
Times cited |
1 |
Open Access |
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| |
Notes |
|
Approved |
Most recent IF: 2.221; 2004 IF: 0.898 |
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| |
Call Number |
UA @ lucian @ c:irua:102771 |
Serial |
2292 |
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| Permanent link to this record |
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| |
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Author |
Riva, C.; Escorcia, R.; Peeters, F.M. |
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| |
Title |
Neutral and charged donor in a 3D quantum dot |
Type |
A1 Journal article |
| |
Year |
2004 |
Publication |
Physica. E: Low-dimensional systems and nanostructures |
Abbreviated Journal |
Physica E |
|
| |
Volume |
22 |
Issue |
1-3 |
Pages |
550-553 |
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| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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| |
Abstract |
We study the ground and first excited states of the neutral and charged shallow donor system confined in a GaAs quantum well (QW) along one direction and by a parabolic potential in the plane perpendicular to the QW. The influence of an external perpendicular magnetic field and of the position of the donor on the energy of the states is studied. We investigate the dependence of the ground and excited states of the negatively charged donor on the confinement potential and external magnetic field. When the donor is displaced from the center of the QW the presence of the lateral confinement shifts the magnetic field induced angular momentum transitions and shifts the unbinding to higher magnetic field. (C) 2003 Published by Elsevier B.V. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
North-Holland |
Place of Publication |
Amsterdam |
Editor |
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Language |
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Wos |
000221140800133 |
Publication Date |
2004-03-05 |
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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 |
1386-9477; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
2.221 |
Times cited |
37 |
Open Access |
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| |
Notes |
|
Approved |
Most recent IF: 2.221; 2004 IF: 0.898 |
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| |
Call Number |
UA @ lucian @ c:irua:95109 |
Serial |
2295 |
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| Permanent link to this record |
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Author |
Bogaerts, A. |
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| |
Title |
Plasma diagnostics and numerical simulations: insight into the heart of analytical glow discharges |
Type |
A1 Journal article |
| |
Year |
2007 |
Publication |
Journal of analytical atomic spectrometry |
Abbreviated Journal |
J Anal Atom Spectrom |
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| |
Volume |
22 |
Issue |
1 |
Pages |
13-40 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
London |
Editor |
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Language |
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Wos |
000242978500001 |
Publication Date |
2006-11-28 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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| |
ISSN |
0267-9477;1364-5544; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
3.379 |
Times cited |
23 |
Open Access |
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| |
Notes |
|
Approved |
Most recent IF: 3.379; 2007 IF: 3.269 |
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| |
Call Number |
UA @ lucian @ c:irua:61139 |
Serial |
2633 |
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| Permanent link to this record |
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Author |
Boschker, H.; Verbeeck, J.; Egoavil, R.; Bals, S.; Van Tendeloo, G.; Huijben, M.; Houwman, E.P.; Koster, G.; Blank, D.H.A.; Rijnders, G. |
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| |
Title |
Preventing the reconstruction of the polar discontinuity at oxide heterointerfaces |
Type |
A1 Journal article |
| |
Year |
2012 |
Publication |
Advanced functional materials |
Abbreviated Journal |
Adv Funct Mater |
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| |
Volume |
22 |
Issue |
11 |
Pages |
2235-2240 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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| |
Abstract |
Perovskite oxide heteroepitaxy receives much attention because of the possibility to combine the diverse functionalities of perovskite oxide building blocks. A general boundary condition for the epitaxy is the presence of polar discontinuities at heterointerfaces. These polar discontinuities result in reconstructions, often creating new functionalities at the interface. However, for a significant number of materials these reconstructions are unwanted as they alter the intrinsic materials properties at the interface. Therefore, a strategy to eliminate this reconstruction of the polar discontinuity at the interfaces is required. We show that the use of compositional interface engineering can prevent the reconstruction at the La0.67Sr0.33MnO3/SrTiO3 (LSMO/STO) interface. The polar discontinuity at this interface can be removed by the insertion of a single La0.33Sr0.67O layer, resulting in improved interface magnetization and electrical conductivity. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Weinheim |
Editor |
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Language |
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Wos |
000304749600002 |
Publication Date |
2012-03-23 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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| |
ISSN |
1616-301X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
12.124 |
Times cited |
72 |
Open Access |
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| |
Notes |
We wish to acknowledge the financial support of the Dutch Science Foundation (NWO) and the Dutch Nanotechnology program NanoNed. S. B. acknowledges the financial support from the European Union under the Framework 6 program under a contract for an Integrated Infrastructure Initiative. Reference 026019 ESTEEM. J. V. and G. V. T. acknowledge funding from the European Research Council under the 7th Framework Program (FP7), ERC grant N246791 – COUNTATOMS. R. E. acknowledges funding by the European Union Council under the 7th Framework Program (FP7) grant NNMP3-LA-2010-246102 IFOX. We thank Sandra Van Aert for stimulating discussions. |
Approved |
Most recent IF: 12.124; 2012 IF: 9.765 |
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| |
Call Number |
UA @ lucian @ c:irua:98907UA @ admin @ c:irua:98907 |
Serial |
2712 |
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| Permanent link to this record |
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Author |
Dixit, H.; Saniz, R.; Lamoen, D.; Partoens, B. |
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Title |
The quasiparticle band structure of zincblende and rocksalt ZnO |
Type |
A1 Journal article |
| |
Year |
2010 |
Publication |
Journal of physics : condensed matter |
Abbreviated Journal |
J Phys-Condens Mat |
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| |
Volume |
22 |
Issue |
12 |
Pages |
125505,1-125505,7 |
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| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT) |
|
| |
Abstract |
We present the quasiparticle band structure of ZnO in its zincblende (ZB) and rocksalt (RS) phases at the Γ point, calculated within the GW approximation. The effect of the pd hybridization on the quasiparticle corrections to the band gap is discussed. We compare three systems, ZB-ZnO which shows strong pd hybridization and has a direct band gap, RS-ZnO which is also hybridized but includes inversion symmetry and therefore has an indirect band gap, and ZB-ZnS which shows a weaker hybridization due to a change of the chemical species from oxygen to sulfur. The quasiparticle corrections are calculated with different numbers of valence electrons in the Zn pseudopotential. We find that the Zn20 + pseudopotential is essential for the adequate treatment of the exchange interaction in the self-energy. The calculated GW band gaps are 2.47 eV and 4.27 eV respectively, for the ZB and RS phases. The ZB-ZnO band gap is underestimated compared to the experimental value of 3.27 by ~ 0.8 eV. The RS-ZnO band gap compares well with the experimental value of 4.5 eV. The underestimation for ZB-ZnO is correlated with the strong pd hybridization. The GW band gap for ZnS is 3.57 eV, compared to the experimental value of 3.8 eV. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
London |
Editor |
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Language |
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Wos |
000275496600010 |
Publication Date |
2010-03-13 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0953-8984;1361-648X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
2.649 |
Times cited |
53 |
Open Access |
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| |
Notes |
Iwt; Fwo; Bof-Nio |
Approved |
Most recent IF: 2.649; 2010 IF: 2.332 |
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Call Number |
UA @ lucian @ c:irua:81531 |
Serial |
2802 |
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| Permanent link to this record |
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Author |
Li, X.Q.; Peeters, F.M. |
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Title |
Scattering on circular inhomogeneous magnetic field profiles in an electron waveguide junction |
Type |
A1 Journal article |
| |
Year |
1997 |
Publication |
Superlattices and microstructures |
Abbreviated Journal |
Superlattice Microst |
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| |
Volume |
22 |
Issue |
|
Pages |
243-249 |
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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 |
London |
Editor |
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Language |
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Wos |
A1997XV53900017 |
Publication Date |
0000-00-00 |
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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 |
0749-6036 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
2.123 |
Times cited |
9 |
Open Access |
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| |
Notes |
|
Approved |
Most recent IF: 2.123; 1997 IF: 0.694 |
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Call Number |
UA @ lucian @ c:irua:19302 |
Serial |
2952 |
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| Permanent link to this record |
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Author |
Leroux, F.; Gysemans, M.; Bals, S.; Batenburg, K.J.; Snauwaert, J.; Verbiest, T.; van Haesendonck, C.; Van Tendeloo, G. |
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Title |
Three-dimensional characterization of helical silver nanochains mediated by protein assemblies |
Type |
A1 Journal article |
| |
Year |
2010 |
Publication |
Advanced materials |
Abbreviated Journal |
Adv Mater |
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| |
Volume |
22 |
Issue |
19 |
Pages |
2193-2197 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Vision lab |
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| |
Abstract |
Characterization methods for the structural investigation of biotemplates for nanodevices remain widely unexplored, despite the fact that biotemplating methods for nanodevice fabrication are becoming more widespread. In this study several techniques are used to characterize the morphology and 3D distribution of silver nanoparticles deposited on insulin fibrils. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Weinheim |
Editor |
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Language |
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Wos |
000278601400016 |
Publication Date |
2010-03-11 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
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Edition |
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| |
ISSN |
0935-9648;1521-4095; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
19.791 |
Times cited |
51 |
Open Access |
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| |
Notes |
Esteem 026019; Fwo |
Approved |
Most recent IF: 19.791; 2010 IF: NA |
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Call Number |
UA @ lucian @ c:irua:83296 |
Serial |
3645 |
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| Permanent link to this record |
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Author |
Efimov, K.; Xu, Q.; Feldhoff, A. |
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| |
Title |
Transmission electron microscopy study of BA0.5Sr0.5CO0.8Fe0.2O3-\delta Perovskite decomposition at intermediate temperatures |
Type |
A1 Journal article |
| |
Year |
2010 |
Publication |
Chemistry of materials |
Abbreviated Journal |
Chem Mater |
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| |
Volume |
22 |
Issue |
21 |
Pages |
5866-5875 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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| |
Abstract |
The cubic perovskite Ba(0.5)Sr(0.5)Co(0.8)Fe(0.2)O(3-delta) (denoted BSCF) is the state-of-the-art ceramic membrane material used for oxygen separation technologies above 1150 K. BSCF is a mixed oxygen-ion and electron conductor (MIEC) and exhibits one of the highest oxygen permeabilities reported so far for dense oxides. Additionally, it has excellent phase stability above 1150 K. In the intermediate temperature range (750-1100 K), however, BSCF suffers from a slow decomposition of the cubic perovskite into variants with hexagonal stacking that are barriers to oxygen transport. To elucidate details of the decomposition process, both sintered BSCF ceramic and powder were annealed for 180-240 h in ambient air at temperatures below 1123 K and analyzed by different transmission electron microscopy techniques. Aside from hexagonal perovskite Ba(0.5)Sr(0.5)CoO(3-delta) , the formation of lamellar noncubic phases was observed in the quenched samples. The structure of the lamellae with the previously unknown composition Ba(1-x)Sr(x)Co(2-y)Fe(y)O(5-delta) was found to be related to the 15R hexagonal perovskite polytype. The valence and spin-state transition of cobalt leading to a considerable diminution of its ionic radius can be considered a reason for BSCF's inherent phase instability at intermediate temperatures. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Washington, D.C. |
Editor |
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Language |
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Wos |
000283623700010 |
Publication Date |
2010-10-13 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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| |
ISSN |
0897-4756;1520-5002; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
9.466 |
Times cited |
117 |
Open Access |
|
|
| |
Notes |
Esteem 026019 |
Approved |
Most recent IF: 9.466; 2010 IF: 6.400 |
|
| |
Call Number |
UA @ lucian @ c:irua:95546 |
Serial |
3720 |
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| Permanent link to this record |
| |
|
| |
|
Author |
Ferreira, W.P.; Farias, G.A.; Peeters, F.M. |
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| |
Title |
A two-component mixture of charged particles confined in a channel: melting |
Type |
A1 Journal article |
| |
Year |
2010 |
Publication |
Journal of physics : condensed matter |
Abbreviated Journal |
J Phys-Condens Mat |
|
| |
Volume |
22 |
Issue |
28 |
Pages |
11 |
|
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
| |
Abstract |
The melting of a binary system of charged particles confined in a quasi-one-dimensional parabolic channel is studied through Monte Carlo simulations. At zero temperature the particles are ordered in parallel chains. The melting is anisotropic and different melting temperatures are obtained according to the spatial direction, and the different kinds of particles present in the system. Melting is very different for the single-, two- and four-chain configurations. A temperature induced structural phase transition is found between two different four-chain ordered states which is absent in the mono-disperse system. In the mixed regime, where the two kinds of particles are only slightly different, melting is almost isotropic and a thermally induced homogeneous distribution of the distinct kinds of charges is observed. |
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| |
Address |
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Corporate Author |
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Thesis |
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| |
Publisher |
|
Place of Publication |
London |
Editor |
|
|
| |
Language |
|
Wos |
000279257300023 |
Publication Date |
2010-06-16 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0953-8984;1361-648X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
2.649 |
Times cited |
10 |
Open Access |
|
|
| |
Notes |
; This work was supported by CNPq, the Flemish Science Foundation (FWO-V1) and the bilateral program between Flanders and Brazil. ; |
Approved |
Most recent IF: 2.649; 2010 IF: 2.332 |
|
| |
Call Number |
UA @ lucian @ c:irua:83862 |
Serial |
3771 |
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| Permanent link to this record |
| |
|
| |
|
Author |
Simon, Q.; Barreca, D.; Gasparotto, A.; Maccato, C.; Montini, T.; Gombac, V.; Fornasiero, P.; Lebedev, O.I.; Turner, S.; Van Tendeloo, G. |
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| |
Title |
Vertically oriented CuO/ZnO nanorod arrays : from plasma-assisted synthesis to photocatalytic H2 production |
Type |
A1 Journal article |
| |
Year |
2012 |
Publication |
Journal of materials chemistry |
Abbreviated Journal |
J Mater Chem |
|
| |
Volume |
22 |
Issue |
23 |
Pages |
11739-11747 |
|
| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
|
| |
Abstract |
1D CuO/ZnO nanocomposites were grown on Si(100) substrates by means of an original two-step synthetic strategy. ZnO nanorod (NR) arrays were initially deposited by plasma enhanced-chemical vapor deposition (PE-CVD) from an ArO2 atmosphere. Subsequently, tailored amounts of CuO were dispersed over zinc oxide matrices by radio frequency (RF)-sputtering of Cu from Ar plasmas, followed by thermal treatment in air. A thorough characterization of the obtained systems was carried out by X-ray photoelectron and X-ray excited-Auger electron spectroscopies (XPS and XE-AES), glancing incidence X-ray diffraction (GIXRD), field emission-scanning electron microscopy (FE-SEM), energy dispersive X-ray spectroscopy (EDXS), atomic force microscopy (AFM), transmission electron microscopy (TEM), electron diffraction (ED) and energy filtered-TEM (EF-TEM). Pure and highly oriented CuO/ZnO NR arrays, free from ternary ZnCuO phases and characterized by a copper(II) oxide content controllable as a function of the adopted RF-power, were successfully obtained. Interestingly, the structural relationships between the two oxides at the CuO/ZnO interface were found to depend on the overall CuO loading. The obtained nanocomposites displayed promising photocatalytic performances in H2 production by reforming of ethanolwater solutions under simulated solar illumination, paving the way to the sustainable conversion of solar light into chemical energy. |
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| |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Cambridge |
Editor |
|
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| |
Language |
|
Wos |
000304351400046 |
Publication Date |
2012-04-05 |
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| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0959-9428;1364-5501; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
|
Times cited |
74 |
Open Access |
|
|
| |
Notes |
|
Approved |
Most recent IF: NA |
|
| |
Call Number |
UA @ lucian @ c:irua:98382 |
Serial |
3840 |
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| Permanent link to this record |
| |
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| |
|
Author |
Roesler, C.; Aijaz, A.; Turner, S.; Filippousi, M.; Shahabi, A.; Xia, W.; Van Tendeloo, G.; Muhler, M.; Fischer, R.A. |
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| |
Title |
Hollow Zn/Co Zeolitic Imidazolate Framework (ZIF) and Yolk-Shell Metal@Zn/Co ZIF nanostructures |
Type |
A1 Journal article |
| |
Year |
2016 |
Publication |
Chemistry: a European journal |
Abbreviated Journal |
Chem-Eur J |
|
| |
Volume |
22 |
Issue |
22 |
Pages |
3304-3311 |
|
| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
|
| |
Abstract |
Metal-organic frameworks (MOFs) feature a great possibility for a broad spectrum of applications. Hollow MOF structures with tunable porosity and multifunctionality at the nanoscale with beneficial properties are desired as hosts for catalytically active species. Herein, we demonstrate the formation of well-defined hollow Zn/Co-based zeolitic imidazolate frameworks (ZIFs) by use of epitaxial growth of Zn-MOF (ZIF-8) on preformed Co-MOF (ZIF-67) nanocrystals that involve in situ self-sacrifice/excavation of the Co-MOF. Moreover, any type of metal nanoparticles can be accommodated in Zn/Co-ZIF shells to generate yolk-shell metal@ZIF structures. Transmission electron microscopy and tomography studies revealed the inclusion of these nanoparticles within hollow Zn/Co-ZIF with dominance of the Zn-MOF as shell. Our findings lead to a generalization of such hollow systems that are working effectively to other types of ZIFs. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
|
Place of Publication |
Weinheim |
Editor |
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| |
Language |
|
Wos |
000371419200001 |
Publication Date |
2016-01-29 |
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| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0947-6539 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
5.317 |
Times cited |
43 |
Open Access |
|
|
| |
Notes |
|
Approved |
Most recent IF: 5.317 |
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| |
Call Number |
UA @ lucian @ c:irua:132347 |
Serial |
4192 |
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| Permanent link to this record |
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| |
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Author |
Mazzeo, P.P.; Canossa, S.; Carraro, C.; Pelagatti, P.; Bacchi, A. |
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| |
Title |
Systematic coformer contribution to cocrystal stabilization: energy and packing trends |
Type |
A1 Journal article |
| |
Year |
2020 |
Publication |
Crystengcomm |
Abbreviated Journal |
Crystengcomm |
|
| |
Volume |
22 |
Issue |
43 |
Pages |
7341-7349 |
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| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
|
| |
Abstract |
Polycyclic aromatic compounds such as acridine and phenazine are popular molecular partners used in cocrystal synthesis. The intermolecular interactions occurring between coformers and their molecular partners dominate the cocrystal packing energy, but coformer self-interactions might participate with a constant non-negligible contribution to the overall packing energy stabilization. Two new acridine-based cocrystals have been mechanochemically synthesized, then fully characterized<italic>via</italic>DSC and SCXRD analyses. A statistical analysis in the CSD has been performed to evaluate the recurrent π–π stacking orientation of polycyclic coformers in all deposited acridine-based cocrystals, then extended to phenazine-base analogs. Packing energy calculations were performed on a selected cocrystal subset to quantify the contribution of the π–π interaction to the overall stabilization energy. |
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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 |
|
Wos |
000589506600017 |
Publication Date |
2020-03-26 |
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| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
1466-8033 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
3.1 |
Times cited |
|
Open Access |
OpenAccess |
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| |
Notes |
European Cooperation in Science and Technology, CA18112 ; Ministero delle Politiche Agricole Alimentari e Forestali, PAC/Packaging Attivo Cristallino ; |
Approved |
Most recent IF: 3.1; 2020 IF: 3.474 |
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| |
Call Number |
EMAT @ emat @c:irua:174262 |
Serial |
6661 |
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| Permanent link to this record |
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| |
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Author |
Heidari, H.; Rivero, G.; Idrissi, H.; Ramachandran, D.; Cakir, S.; Egoavil, R.; Kurttepeli, M.; Crabbé, A.C.; Hauffman, T.; Terryn, H.; Du Prez, F.; Schryvers, D. |
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| |
Title |
Melamine–Formaldehyde Microcapsules: Micro- and Nanostructural Characterization with Electron Microscopy |
Type |
A1 Journal article |
| |
Year |
2016 |
Publication |
Microscopy and microanalysis |
Abbreviated Journal |
Microsc Microanal |
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| |
Volume |
22 |
Issue |
22 |
Pages |
1222-1232 |
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| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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| |
Abstract |
A systematic study has been carried out to compare the surface morphology, shell thickness, mechanical properties, and binding behavior of melamine–formaldehyde microcapsules of 5–30 μm diameter size with various amounts of core content by using scanning and transmission electron microscopy including electron tomography, in situ nanomechanical tensile testing, and electron energy-loss spectroscopy. It is found that porosities are present on the outside surface of the capsule shell, but not on the inner surface of the shell. Nanomechanical tensile tests on the capsule shells reveal that Young’s modulus of the shell material is higher than that of bulk melamine–formaldehyde and that the shells exhibit a larger fracture strain compared with the bulk. Core-loss elemental analysis of microcapsules embedded in epoxy indicates that during the curing process, the microcapsule-matrix interface remains uniform and the epoxy matrix penetrates into the surface micro-porosities of the capsule shells. |
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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 |
|
Wos |
000393853100011 |
Publication Date |
2016-12-21 |
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| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
1431-9276 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
1.891 |
Times cited |
2 |
Open Access |
|
|
| |
Notes |
This work was supported by SIM vzw, Technologiepark 935, BE-9052 Zwijnaarde, Belgium, within the InterPoCo project of the H-INT-S horizontal program. The authors are also thankful to Stijn Van den Broeck and Dr. Frederic Leroux for help in sample preparation and to S. Bals and J. Verbeeck for valuable discussions. H.I. acknowledges the IAP program of the Belgian State Federal Office for Scientific, Technical and Cultural Affairs, under Contract No. P7/21. |
Approved |
Most recent IF: 1.891 |
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| |
Call Number |
EMAT @ emat @ c:irua:138980 |
Serial |
4333 |
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| Permanent link to this record |
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Author |
Janssens, K.; Vincze, L.; van Espen, P.; Adams, F. |
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| |
Title |
Monte Carlo simulation of conventional and synchrotron energy-dispersive X-ray spectrometers |
Type |
A1 Journal article |
| |
Year |
1993 |
Publication |
X-ray spectrometry |
Abbreviated Journal |
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| |
Volume |
22 |
Issue |
|
Pages |
234-243 |
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| |
Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Chemometrics (Mitac 3) |
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Abstract |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
A1993LQ04200011 |
Publication Date |
2005-05-28 |
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| |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
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Edition |
|
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| |
ISSN |
0049-8246 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
|
Times cited |
|
Open Access |
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| |
Notes |
|
Approved |
no |
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| |
Call Number |
UA @ admin @ c:irua:6117 |
Serial |
5736 |
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| Permanent link to this record |
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| |
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Author |
De Baere, K.; Verstraelen, H.; Willemen, R.; Smet, J.-P.; Tchuindjang, J.T.; Lecomte-Beckers, J.; Lenaerts, S.; Meskens, R.; Jung, H.G.; Potters, G. |
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| |
Title |
Assessment of corrosion resistance, material properties, and weldability of alloyed steel for ballast tanks |
Type |
A1 Journal article |
| |
Year |
2017 |
Publication |
Journal of marine science and technology |
Abbreviated Journal |
J Mar Sci Tech-Japan |
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| |
Volume |
22 |
Issue |
1 |
Pages |
176-199 |
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| |
Keywords |
A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL) |
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| |
Abstract |
Ballast tanks are of great importance in the lifetime of modern merchant ships. Making a ballast tank less susceptible to corrosion can, therefore, prolong the useful life of a ship and, thereby, lower its operational cost. An option to reinforce a ballast tank is to construct it out of a corrosion-resistant steel type. Such steel was recently produced by POSCO Ltd., South Korea. After 6 months of permanent immersion, the average corrosion rate of A and AH steel (31 samples) was 535 g m(-2) year(-1), while the Korean CRS was corroding with 378 g m(-2) year(-1). This entails a gain of 29 %. Follow-up measurements after 10, 20, and 24 months confirmed this. The results after 6 months exposure to alternating wet/dry conditions are even more explicit. Furthermore, the physical and metallurgical properties of this steel show a density of 7.646 t/m(3), the elasticity modulus 209.3 GPa, the tensile strength 572 MPa, and the hardness 169HV10. Microscopically, the metal consists of equiaxed and recrystallized grains (ferrite and pearlite), with an average size of between 20 and 30 A mu m (ASTM E 112-12 grain size number between 7 and 8) with a few elongated pearlitic grains. The structure is banded ferrite/pearlite. On the basis of a series of energy dispersive X-ray spectrometer measurements the lower corrosion rate of the steel can be attributed to the interplay of Al, Cr, their oxides, and the corroding steel. In addition, the role of each element in the formation of oxide layers and the mechanisms contributing to the corrosion resistance are discussed. |
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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 |
|
Wos |
000395006400015 |
Publication Date |
2016-07-21 |
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| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0948-4280 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
0.838 |
Times cited |
3 |
Open Access |
|
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| |
Notes |
; This paper is published with the explicit permission of POSCO Ltd., original source of the corrosion resistant steel. Due to the creativity of the POSCO engineers and scientists, we could have our challenge, presented in this manuscript. The authors wish to thank the BOF funding received from the University of Antwerp and the Maritime Academy. We also wish to express our gratitude towards to the American Bureau of Shipping for their assistance in procuring the CRS plates, their moral and financial support, as well as to OCAS (Arcelor Mittal, Zelzate, Belgium) for their assistance in a number of measurements. ; |
Approved |
Most recent IF: 0.838 |
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| |
Call Number |
UA @ admin @ c:irua:142509 |
Serial |
5928 |
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| Permanent link to this record |
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Author |
Ghanian, M.; Ghoochani, O.M.; Kitterlin, M.; Jahangiry, S.; Zarafshani, K.; Van Passel, S.; Azadi, H. |
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| |
Title |
Attitudes of agricultural experts toward genetically modified crops : a case study in Southwest Iran |
Type |
A1 Journal article |
| |
Year |
2016 |
Publication |
Science And Engineering Ethics |
Abbreviated Journal |
Sci Eng Ethics |
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| |
Volume |
22 |
Issue |
2 |
Pages |
509-524 |
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| |
Keywords |
A1 Journal article; Economics; Engineering Management (ENM) |
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Abstract |
The production of genetically modified (GM) crops is growing around the world, and with it possible opportunities to combat food insecurity and hunger, as well as solutions to current problems facing conventional agriculture. In this regard the use of GMOs in food and agricultural applications has increased greatly over the past decade. However, the development of GM crops has been a matter of considerable interest and worldwide public controversy. This, in addition to skepticism, has stifled the use of this practice on a large scale in many areas, including Iran. It stands to reason that a greater understanding of this practice could be formed after a review of the existing expert opinions surrounding GM crops. Therefore, the purpose of this study was to analyze the predictors that influence agricultural experts attitudes toward the development of and policies related to GM crops. Using a descriptive correlational research method, questionnaire data was collected from 65 experts from the Agricultural Organization in the Gotvand district in Southwest Iran. Results indicated that agricultural experts were aware of the environmental benefits and possible risks associated with GM crops. The majority of participants agreed that GM crops could improve food security and accelerate rural development, and were proponents of labeling practices for GM crops. Finally, there was a positive correlation between the perception of benefits and attitudes towards GM crops. |
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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 |
000373378100011 |
Publication Date |
2015-06-04 |
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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 |
1353-3452 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
2.229 |
Times cited |
5 |
Open Access |
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| |
Notes |
; ; |
Approved |
Most recent IF: 2.229 |
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| |
Call Number |
UA @ admin @ c:irua:136751 |
Serial |
6158 |
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| Permanent link to this record |
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Author |
Maes, D.; Van Passel, S. |
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| |
Title |
An agent-based model of farmer behaviour to explain the limited adaptability of Flemish agriculture |
Type |
A1 Journal article |
| |
Year |
2017 |
Publication |
Environmental Innovation and Societal Transitions |
Abbreviated Journal |
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| |
Volume |
22 |
Issue |
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Pages |
63-77 |
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Keywords |
A1 Journal article; Engineering Management (ENM) |
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Abstract |
Transition projects have been implemented for Flemish agriculture since 2003, but these did not enable a transformation of the agricultural sector. This paper looks at pre-transition scenarios that have been collectively designed by stakeholders of the agricultural sector in 2002. These foresaw decreases in the regional animal stocks in Flanders. However, the real evolution of the sector did not reveal such a decrease. It is assumed that the individual adaptive behaviour of farmers can explain the unexpected stability of the Flemish agricultural sector. A detailed agent-based model has been built to replicate the past evolution, accounting for structural diversity of farmers, heterogeneity in behaviour, and natural resource constraints. The results indicate that different forms of rigidity in the individual behaviour of farmers slow down the adaptation of the agricultural sector. Future transition scenarios should account for these elements in order not to overestimate the speed of change in the sector. (C) 2016 Elsevier B.V. All rights reserved. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000400269900006 |
Publication Date |
2016-07-17 |
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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 |
|
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| |
ISSN |
2210-4224 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
|
Times cited |
1 |
Open Access |
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Notes |
; This project was financed by the Impuls-project of the Transnational University Limburg (TUL, Belgium and theNetherlands). A prior version of the results was presented in September 2014 at the 10th annual meeting of the European Social Simulation Association (ESSA) in Barcelona; the remarks from participants improved this manuscript. Thecomputational resources and services in support of this study were provided by the Hercules Foundation and the Flemish Government-department EWI. Prof. Steven Van Passel thanks DG Agriculture (European Commission) for access to theFarm Accountancy Data Network (FADN). All remaining errors are the sole responsibility of the authors. ; |
Approved |
Most recent IF: NA |
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| |
Call Number |
UA @ admin @ c:irua:143721 |
Serial |
6150 |
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| Permanent link to this record |
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Author |
Slaets, J.; Aghaei, M.; Ceulemans, S.; Van Alphen, S.; Bogaerts, A. |
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| |
Title |
CO2and CH4conversion in “real” gas mixtures in a gliding arc plasmatron: how do N2and O2affect the performance? |
Type |
A1 Journal article |
| |
Year |
2020 |
Publication |
Green Chemistry |
Abbreviated Journal |
Green Chem |
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| |
Volume |
22 |
Issue |
4 |
Pages |
1366-1377 |
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| |
Keywords |
A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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| |
Abstract |
In this paper we study dry reforming of methane (DRM) in a gliding arc plasmatron (GAP) in the presence of N<sub>2</sub>and O<sub>2</sub>. N<sub>2</sub>is added to create a stable plasma at equal fractions of CO<sub>2</sub>and CH<sub>4</sub>, and because emissions from industrial plants typically contain N<sub>2</sub>, while O<sub>2</sub>is added to enhance the process. We test different gas mixing ratios to evaluate the conversion and energy cost. We obtain conversions between 31 and 52% for CO<sub>2</sub>and between 55 and 99% for CH<sub>4</sub>, with total energy costs between 3.4 and 5.0 eV per molecule, depending on the gas mixture. This is very competitive when benchmarked with the literature. In addition, we present a chemical kinetics model to obtain deeper insight in the underlying plasma chemistry. This allows determination of the major reaction pathways to convert CO<sub>2</sub>and CH<sub>4</sub>, in the presence of O<sub>2</sub>and N<sub>2</sub>, into CO and H<sub>2</sub>. We show that N<sub>2</sub>assists in the CO<sub>2</sub>conversion, but part of the applied energy is also wasted in N<sub>2</sub>excitation. Adding O<sub>2</sub>enhances the CH<sub>4</sub>conversion, and lowers the energy cost, while the CO<sub>2</sub>conversion remains constant, and only slightly drops at the highest O<sub>2</sub>fractions studied, when CH<sub>4</sub>is fully oxidized into CO<sub>2</sub>. |
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Place of Publication |
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Wos |
000518034000032 |
Publication Date |
2020-01-30 |
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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 |
1463-9262 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
9.8 |
Times cited |
|
Open Access |
OpenAccess |
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Notes |
H2020 European Research Council, 810182 ; Fonds Wetenschappelijk Onderzoek, GoF9618n 12M7118N ; We acknowledge financial support from the European Research Council (ERC) under the European Union’s Horizon 2020 research and innovation programme (grant agreement No 810182 – SCOPE ERC Synergy project), the Excellence of Science FWO-FNRS project (FWO grant ID GoF9618n, EOS ID 30505023), and the FWO postdoctoral fellowship of M. A. (Grant number 12M7118N). This work was carried out in part using the Turing HPC infrastructure at the CalcUA core facility of the Universiteit Antwerpen, a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government (department EWI) and the University of Antwerp. |
Approved |
Most recent IF: 9.8; 2020 IF: 9.125 |
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| |
Call Number |
PLASMANT @ plasmant @c:irua:167136 |
Serial |
6339 |
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| Permanent link to this record |
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Author |
Rouwenhorst, K.H.R.; Engelmann, Y.; van ‘t Veer, K.; Postma, R.S.; Bogaerts, A.; Lefferts, L. |
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Title |
Plasma-driven catalysis: green ammonia synthesis with intermittent electricity |
Type |
A1 Journal article |
| |
Year |
2020 |
Publication |
Green Chemistry |
Abbreviated Journal |
Green Chem |
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| |
Volume |
22 |
Issue |
19 |
Pages |
6258-6287 |
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| |
Keywords |
A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT); Movement Antwerp (MOVANT) |
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Abstract |
Ammonia is one of the most produced chemicals, mainly synthesized from fossil fuels for fertilizer applications. Furthermore, ammonia may be one of the energy carriers of the future, when it is produced from renewable electricity. This has spurred research on alternative technologies for green ammonia production. Research on plasma-driven ammonia synthesis has recently gained traction in academic literature. In the current review, we summarize the literature on plasma-driven ammonia synthesis. We distinguish between mechanisms for ammonia synthesis in the presence of a plasma, with and without a catalyst, for different plasma conditions. Strategies for catalyst design are discussed, as well as the current understanding regarding the potential plasma-catalyst synergies as function of the plasma conditions and their implications on energy efficiency. Finally, we discuss the limitations in currently reported models and experiments, as an outlook for research opportunities for further unravelling the complexities of plasma-catalytic ammonia synthesis, in order to bridge the gap between the currently reported models and experimental results. |
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Place of Publication |
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Editor |
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Language |
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Wos |
000575015700002 |
Publication Date |
2020-09-08 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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| |
ISSN |
1463-9262 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
9.8 |
Times cited |
4 |
Open Access |
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Notes |
; ; |
Approved |
Most recent IF: 9.8; 2020 IF: 9.125 |
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Call Number |
PLASMANT @ plasmant @c:irua:172671 |
Serial |
6430 |
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| Permanent link to this record |
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Author |
Bafekry, A.; Stampfl, C.; Akgenc, B.; Ghergherehchi, M. |
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Title |
Control of C3N4 and C4N3 carbon nitride nanosheets' electronic and magnetic properties through embedded atoms |
Type |
A1 Journal article |
| |
Year |
2020 |
Publication |
Physical Chemistry Chemical Physics |
Abbreviated Journal |
Phys Chem Chem Phys |
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| |
Volume |
22 |
Issue |
4 |
Pages |
2249-2261 |
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| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
In the present work, the effect of various embedded atom impurities on tuning electronic and magnetic properties of C3N4 and C4N3 nanosheets have been studied using first-principles calculations. Our calculations show that C3N4 is a semiconductor and it exhibits extraordinary electronic properties such as dilute-magnetic semiconductor (with H, F, Cl, Be, V, Fe and Co); metal (with N, P, Mg and Ca), half-metal (with Li, Na, K, Al, Sc, Cr, Mn, and Cu) and semiconductor (with O, S, B, C, Si, Ti, Ni and Zn) with the band gaps in the range of 0.3-2.0 eV depending on the species of embedded atom. The calculated electronic properties reveal that C4N3 is a half-metal and it retains half-metallic character with embedded H, O, S, F, B, N, P, Be, Mg, Al, Sc, V, Fe, Ni and Zn atoms. The substitution of Cl, C, Cr and Mn atoms create ferromagnetic-metal character in the C4N3 nanosheet, embedded Co and Cu atoms exhibit a dilute-magnetic semiconductor nature, and embedded Ti atoms result in the system becoming a semiconductor. Therefore, our results reveal the fact that the band gap and magnetism can be modified or induced by various atom impurities, thus, offering effective possibilities to tune the electronic and magnetic properties of C3N4 and C4N3 nanosheets. |
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Place of Publication |
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Wos |
000510729400042 |
Publication Date |
2019-12-24 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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| |
ISSN |
1463-9076; 1463-9084 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.3 |
Times cited |
18 |
Open Access |
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Notes |
; This work has supported by the National Research Foundation of Korea (NRF) grant funded by the Korea government (MSIT) (NRF-2017R1A2B2011989). B. Akgenc acknowledges financial support the Kirklareli University-BAP under the Project No 189 and TUBITAK ULAKBIM, High Performance and Grid Computing Center. ; |
Approved |
Most recent IF: 3.3; 2020 IF: 4.123 |
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| |
Call Number |
UA @ admin @ c:irua:166553 |
Serial |
6476 |
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| Permanent link to this record |
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Author |
Bafekry, A.; Stampfl, C.; Akgenc, B.; Mortazavi, B.; Ghergherehchi, M.; Nguyen, C.V. |
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Title |
Embedding of atoms into the nanopore sites of the C₆N₆ and C₆N₈ porous carbon nitride monolayers with tunable electronic properties |
Type |
A1 Journal article |
| |
Year |
2020 |
Publication |
Physical Chemistry Chemical Physics |
Abbreviated Journal |
Phys Chem Chem Phys |
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Volume |
22 |
Issue |
11 |
Pages |
6418-6433 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Using first-principles calculations, we study the effect of embedding various atoms into the nanopore sites of both C6N6 and C6N8 monolayers. Our results indicate that the embedded atoms significantly affect the electronic and magnetic properties of C6N6 and C6N8 monolayers and lead to extraordinary and multifarious electronic properties, such as metallic, half-metallic, spin-glass semiconductor and dilute-magnetic semiconductor behaviour. Our results reveal that the H atom concentration dramatically affects the C6N6 monolayer. On increasing the H coverage, the impurity states also increase due to H atoms around the Fermi-level. C6N6 shows metallic character when the H atom concentration reaches 6.25%. Moreover, the effect of charge on the electronic properties of both Cr@C6N6 and C@C6N8 is also studied. Cr@C6N6 is a ferromagnetic metal with a magnetic moment of 2.40 mu(B), and when 0.2 electrons are added and removed, it remains a ferromagnetic metal with a magnetic moment of 2.57 and 2.77 mu(B), respectively. Interestingly, one can observe a semi-metal, in which the VBM and CBM in both spin channels touch each other near the Fermi-level. C@C6N8 is a semiconductor with a nontrivial band gap. When 0.2 electrons are removed, it remains metallic, and under excess electronic charge, it exhibits half-metallic behaviour. |
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Place of Publication |
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Wos |
000523409400037 |
Publication Date |
2020-02-20 |
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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 |
1463-9076; 1463-9084 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.3 |
Times cited |
17 |
Open Access |
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Notes |
; This work was supported by a National Research Foundation of Korea (NRF) grant funded by the Korean government (MSIT) (NRF-2017R1A2B2011989). ; |
Approved |
Most recent IF: 3.3; 2020 IF: 4.123 |
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Call Number |
UA @ admin @ c:irua:168617 |
Serial |
6504 |
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| Permanent link to this record |
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Author |
Obeid, M.M.; Stampfl, C.; Bafekry, A.; Guan, Z.; Jappor, H.R.; Nguyen, C., V; Naseri, M.; Hoat, D.M.; Hieu, N.N.; Krauklis, A.E.; Tuan V Vu; Gogova, D. |
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Title |
First-principles investigation of nonmetal doped single-layer BiOBr as a potential photocatalyst with a low recombination rate |
Type |
A1 Journal article |
| |
Year |
2020 |
Publication |
Physical Chemistry Chemical Physics |
Abbreviated Journal |
Phys Chem Chem Phys |
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Volume |
22 |
Issue |
27 |
Pages |
15354-15364 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Nonmetal doping is an effective approach to modify the electronic band structure and enhance the photocatalytic performance of bismuth oxyhalides. Using density functional theory, we systematically examine the fundamental properties of single-layer BiOBr doped with boron (B) and phosphorus (P) atoms. The stability of the doped models is investigated based on the formation energies, where the substitutional doping is found to be energetically more stable under O-rich conditions than under Bi-rich ones. The results showed that substitutional doping of P atoms reduced the bandgap of pristine BiOBr to a greater extent than that of boron substitution. The calculation of the effective masses reveals that B doping can render the electrons and holes of pristine BiOBr lighter and heavier, respectively, resulting in a slower recombination rate of photoexcited electron-hole pairs. Based on the results of HOMO-LUMO calculations, the introduction of B atoms tends to increase the number of photocatalytically active sites. The top of the valence band and the conduction band bottom of the B doped BiOBr monolayer match well with the water redox potentials in an acidic environment. The absorption spectra propose that B(P) doping causes a red-shift. Overall, the results predict that nonmetal-doped BiOBr monolayers have a reduced bandgap, a slow recombination rate, more catalytically active sites, enhanced optical absorption edges, and reduced work functions, which will contribute to superior photocatalytic performance. |
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Corporate Author |
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Place of Publication |
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Editor |
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Language |
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Wos |
000549894000018 |
Publication Date |
2020-06-16 |
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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 |
1463-9076; 1463-9084 |
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 |
18 |
Open Access |
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Notes |
; This work was partially supported by the financial support from the Natural Science Foundation of China (Grant No. 11904203) and the Fundamental Research Funds of Shandong University (Grant No. 2019GN065). ; |
Approved |
Most recent IF: 3.3; 2020 IF: 4.123 |
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Call Number |
UA @ admin @ c:irua:171235 |
Serial |
6522 |
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| Permanent link to this record |
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Author |
Sabzalipour, A.; Mir, M.; Zarenia, M.; Partoens, B. |
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Title |
Two distinctive regimes in the charge transport of a magnetic topological ultra thin film |
Type |
A1 Journal article |
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Year |
2020 |
Publication |
New Journal Of Physics |
Abbreviated Journal |
New J Phys |
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Volume |
22 |
Issue |
12 |
Pages |
123004 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
The effect of the magnetic impurities on the charge transport in a magnetic topological ultra-thin film (MTF) is analytically investigated by applying the semi-classical Boltzmann framework through a modified relaxation-time approximation. Our results for the relaxation time of electrons as well as the charge conductivity of the system exhibit two distinct regimes of transport. We show that the generated charge current in a MTF is always dissipative and anisotropic when both conduction bands are involved in the charge transport. The magnetic impurities induce a chirality selection rule for the transitions of electrons which can be altered by changing the orientation of the magnetic impurities. On the other hand, when a single conduction band participates in the charge transport, the resistivity is isotropic and can be entirely suppressed due to the corresponding chirality selection rule. Our findings propose a method to determine an onset thickness at which a crossover from a three-dimensional magnetic topological insulator to a (two-dimensional) MTF occurs. |
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Corporate Author |
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Publisher |
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Place of Publication |
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Language |
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Wos |
000596436300001 |
Publication Date |
2020-11-11 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1367-2630 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.3 |
Times cited |
2 |
Open Access |
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Notes |
; MZ acknowledges support from the U.S. Department of Energy (Office of Science) under Grant No. DE-FG02- 05ER46203. ; |
Approved |
Most recent IF: 3.3; 2020 IF: 3.786 |
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Call Number |
UA @ admin @ c:irua:174387 |
Serial |
6701 |
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Author |
Bengtson, C.; Bogaerts, A. |
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Title |
The Quest to Quantify Selective and Synergistic Effects of Plasma for Cancer Treatment: Insights from Mathematical Modeling |
Type |
A1 Journal article |
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Year |
2021 |
Publication |
International Journal Of Molecular Sciences |
Abbreviated Journal |
Int J Mol Sci |
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Volume |
22 |
Issue |
9 |
Pages |
5033 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
Cold atmospheric plasma (CAP) and plasma-treated liquids (PTLs) have recently become a promising option for cancer treatment, but the underlying mechanisms of the anti-cancer effect are still to a large extent unknown. Although hydrogen peroxide () has been recognized as the major anti-cancer agent of PTL and may enable selectivity in a certain concentration regime, the co-existence of nitrite can create a synergistic effect. We develop a mathematical model to describe the key species and features of the cellular response toward PTL. From the numerical solutions, we define a number of dependent variables, which represent feasible measures to quantify cell susceptibility in terms of the membrane diffusion rate constant and the intracellular catalase concentration. For each of these dependent variables, we investigate the regimes of selective versus non-selective, and of synergistic versus non-synergistic effect to evaluate their potential role as a measure of cell susceptibility. Our results suggest that the maximal intracellular concentration, which in the selective regime is almost four times greater for the most susceptible cells compared to the most resistant cells, could be used to quantify the cell susceptibility toward exogenous . We believe our theoretical approach brings novelty to the field of plasma oncology, and more broadly, to the field of redox biology, by proposing new ways to quantify the selective and synergistic anti-cancer effect of PTL in terms of inherent cell features. |
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Place of Publication |
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Wos |
000650366900001 |
Publication Date |
2021-05-10 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1422-0067 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.226 |
Times cited |
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Open Access |
OpenAccess |
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Notes |
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Approved |
Most recent IF: 3.226 |
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Call Number |
PLASMANT @ plasmant @c:irua:178123 |
Serial |
6757 |
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Author |
Achari, A.; Bekaert, J.; Sreepal, V.; Orekhov, A.; Kumaravadivel, P.; Kim, M.; Gauquelin, N.; Pillai, P.B.; Verbeeck, J.; Peeters, F.M.; Geim, A.K.; Milošević, M.V.; Nair, R.R. |
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Title |
Alternating superconducting and charge density wave monolayers within bulk 6R-TaS₂ |
Type |
A1 Journal article |
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Year |
2022 |
Publication |
Nano letters |
Abbreviated Journal |
Nano Lett |
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Volume |
22 |
Issue |
15 |
Pages |
6268-6275 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT) |
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Abstract |
Van der Waals (vdW) heterostructures continue to attract intense interest as a route of designing materials with novel properties that cannot be found in nature. Unfortunately, this approach is currently limited to only a few layers that can be stacked on top of each other. Here, we report a bulk vdW material consisting of superconducting 1H TaS2 monolayers interlayered with 1T TaS2 monolayers displaying charge density waves (CDW). This bulk vdW heterostructure is created by phase transition of 1T-TaS2 to 6R at 800 degrees C in an inert atmosphere. Its superconducting transition (T-c) is found at 2.6 K, exceeding the T-c of the bulk 2H phase. Using first-principles calculations, we argue that the coexistence of superconductivity and CDW within 6R-TaS2 stems from amalgamation of the properties of adjacent 1H and 1T monolayers, where the former dominates the superconducting state and the latter the CDW behavior. |
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Place of Publication |
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Wos |
000831832100001 |
Publication Date |
2022-07-20 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1530-6984 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
10.8 |
Times cited |
8 |
Open Access |
OpenAccess |
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Notes |
This work was supported by the Royal Society, the Leverhulme Trust (PLP-2018-220), the Engineering and Physical Sciences Research Council (EP/N005082/1), and European Research Council (contract 679689). The authors acknowledge the use of the facilities at the Henry Royce Institute and associated support services. J.B. is a postdoctoral fellow of Research Foundation-Flanders (FWO-Vlaanderen). Computational resources were provided by the VSC (Flemish Supercomputer Center), funded by the FWO and the Flemish Governmentdepartment EWI. This work was also performed under a transnational access provision funded by the European Union under the Horizon 2020 programme within a contract for Integrating Activities for Advanced Communities No 823717 − ESTEEM3; esteem3reported; esteem3jra |
Approved |
Most recent IF: 10.8 |
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Call Number |
UA @ admin @ c:irua:189495 |
Serial |
7077 |
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Author |
Yagmurcukardes, N.; Bayram, A.; Aydin, H.; Yagmurcukardes, M.; Acikbas, Y.; Peeters, F.M.; Celebi, C. |
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Title |
Anisotropic etching of CVD grown graphene for ammonia sensing |
Type |
A1 Journal article |
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Year |
2022 |
Publication |
IEEE sensors journal |
Abbreviated Journal |
Ieee Sens J |
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Volume |
22 |
Issue |
5 |
Pages |
3888-3895 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Bare chemical vapor deposition (CVD) grown graphene (GRP) was anisotropically etched with various etching parameters. The morphological and structural characterizations were carried out by optical microscopy and the vibrational properties substrates were obtained by Raman spectroscopy. The ammonia adsorption and desorption behavior of graphene-based sensors were recorded via quartz crystal microbalance (QCM) measurements at room temperature. The etched samples for ambient NH3 exhibited nearly 35% improvement and showed high resistance to humidity molecules when compared to bare graphene. Besides exhibiting promising sensitivity to NH3 molecules, the etched graphene-based sensors were less affected by humidity. The experimental results were collaborated by Density Functional Theory (DFT) calculations and it was shown that while water molecules fragmented into H and O, NH3 interacts weakly with EGPR2 sample which reveals the enhanced sensing ability of EGPR2. Apparently, it would be more suitable to use EGRP2 in sensing applications due to its sensitivity to NH3 molecules, its stability, and its resistance to H2O molecules in humid ambient. |
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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 |
000766276000010 |
Publication Date |
2022-01-24 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1530-437x; 1558-1748 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
4.3 |
Times cited |
2 |
Open Access |
Not_Open_Access |
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Notes |
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Approved |
Most recent IF: 4.3 |
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Call Number |
UA @ admin @ c:irua:187257 |
Serial |
7126 |
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| Permanent link to this record |
