Records |
Author |
Vanmeert, F.; van der Snickt, G.; Janssens, K. |
Title |
Plumbonacrite identified by X-ray powder diffraction tomography as a missing link during degradation of red lead in a Van Gogh painting |
Type |
A1 Journal article |
Year |
2015 |
Publication |
Angewandte Chemie: international edition in English |
Abbreviated Journal |
Angew Chem Int Edit |
Volume |
54 |
Issue |
12 |
Pages |
3607-3610 |
Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
Abstract |
Red lead, a semiconductor pigment used by artists since antiquity, is known to undergo several discoloration phenomena. These transformations are either described as darkening of the pigment caused by the formation of either plattnerite (β-PbO2) or galena (PbS) or as whitening by which red lead is converted into anglesite (PbSO4) or (hydro)cerussite (2 PbCO3⋅Pb(OH)2; PbCO3). X-ray powder diffraction tomography, a powerful analytical method that allows visualization of the internal distribution of different crystalline compounds in complex samples, was used to investigate a microscopic paint sample from a Van Gogh painting. A very rare lead mineral, plumbonacrite (3 PbCO3⋅ Pb(OH)2⋅PbO), was revealed to be present. This is the first reported occurrence of this compound in a painting dating from before the mid 20th century. It constitutes the missing link between on the one hand the photoinduced reduction of red lead and on the other hand (hydro)cerussite, and thus sheds new light on the whitening of red lead. |
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 |
|
Language |
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Wos |
000351178300008 |
Publication Date |
2015-02-20 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1433-7851; 0570-0833 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
11.994 |
Times cited |
24 |
Open Access |
|
Notes |
; The authors acknowledge L. Van der Loeff and M. Leeuwestein (Kroller-Muller Museum) for providing the paint sample. We thank Dr. J. Jaroszewicz (WUT) for performing the CT measurements. This research was carried out at the light source PETRA III at DESY, a member of the Helmholtz Association (HGF). We thank Dr. G. Falkenberg and the members of his team for their assistance in using beam line P06. We acknowledge financial support from the University of Antwerp GOA projects “XANES meets EELS” and “SOLARPaint”, as well as from BELSPO (Brussels) Project S2-ART and FWO (Brussels) project “ESRF-Dubble”. ; |
Approved |
Most recent IF: 11.994; 2015 IF: 11.261 |
Call Number |
UA @ admin @ c:irua:124620 |
Serial |
5774 |
Permanent link to this record |
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Author |
Batuk, D.; Batuk, M.; Tsirlin, A.A.; Hadermann, J.; Abakumov, A.M. |
Title |
Trapping of Oxygen Vacancies at Crystallographic Shear Planes in Acceptor-Doped Pb-Based Ferroelectrics |
Type |
A1 Journal article |
Year |
2015 |
Publication |
Angewandte Chemie: international edition in English |
Abbreviated Journal |
Angew Chem Int Edit |
Volume |
54 |
Issue |
54 |
Pages |
14787-14790 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
The defect chemistry of the ferroelectric material PbTiO3 after doping with Fe(III) acceptor ions is reported. Using advanced transmission electron microscopy and powder X-ray and neutron diffraction, we demonstrate that even at concentrations as low as circa 1.7% (material composition approximately ABO2.95), the oxygen vacancies are trapped into extended planar defects, specifically crystallographic shear planes. We investigate the evolution of these defects upon doping and unravel their detailed atomic structure using the formalism of superspace crystallography, thus unveiling their role in nonstoichiometry in the Pb-based perovskites. |
Address |
Chemistry Department, Moscow State University, 119991, Moscow (Russia). artem.abakumov@uantwerpen.be |
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 |
English |
Wos |
000367723400031 |
Publication Date |
2015-10-21 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1433-7851 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
11.994 |
Times cited |
3 |
Open Access |
|
Notes |
A.M.A. is grateful to the Russian Science Foundation (grant 14-13-00680). AT was funded by the Mobilitas grant MTT77 of the ESF and by the Federal Ministry for Education and Research through the Sofja Kovalevskaya Award of Alexander von Humboldt Foundation. |
Approved |
Most recent IF: 11.994; 2015 IF: 11.261 |
Call Number |
c:irua:131104 |
Serial |
4080 |
Permanent link to this record |
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Author |
Gjorgievska, E.; Van Tendeloo, G.; Nicholson, J.W.; Coleman, N.J.; Slipper, I.J.; Booth, S. |
Title |
The incorporation of nanoparticles into conventional glass-ionomer dental restorative cements |
Type |
A1 Journal article |
Year |
2015 |
Publication |
Microscopy and microanalysis |
Abbreviated Journal |
Microsc Microanal |
Volume |
21 |
Issue |
21 |
Pages |
392-406 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
Conventional glass-ionomer cements (GICs) are popular restorative materials, but their use is limited by their relatively low mechanical strength. This paper reports an attempt to improve these materials by incorporation of 10 wt% of three different types of nanoparticles, aluminum oxide, zirconium oxide, and titanium dioxide, into two commercial GICs (ChemFil((R)) Rock and EQUIA (TM) Fil). The results indicate that the nanoparticles readily dispersed into the cement matrix by hand mixing and reduced the porosity of set cements by filling the empty spaces between the glass particles. Both cements showed no significant difference in compressive strength with added alumina, and ChemFil((R)) Rock also showed no significant difference with zirconia. By contrast, ChemFil((R)) Rock showed significantly higher compressive strength with added titania, and EQUIA (TM) Fil showed significantly higher compressive strength with both zirconia and titania. Fewer air voids were observed in all nanoparticle-containing cements and this, in turn, reduced the development of cracks within the matrix of the cements. These changes in microstructure provide a likely reason for the observed increases in compressive strength, and overall the addition of nanoparticles appears to be a promising strategy for improving the physical properties of GICs. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Cambridge, Mass. |
Editor |
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Language |
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Wos |
000353514700014 |
Publication Date |
2015-02-18 |
Series Editor |
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Series Title |
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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 |
15 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 1.891; 2015 IF: 1.877 |
Call Number |
UA @ lucian @ c:irua:132523 |
Serial |
4194 |
Permanent link to this record |
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Author |
Hamidi-Asl, E.; Dardenne, F.; Blust, R.; De Wael, K. |
Title |
An improved electrochemical aptasensor for chloramphenicol detection based on aptamer incorporated gelatine |
Type |
A1 Journal article |
Year |
2015 |
Publication |
Sensors |
Abbreviated Journal |
Sensors-Basel |
Volume |
15 |
Issue |
4 |
Pages |
7605-7618 |
Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
Abstract |
Because of the biocompatible properties of gelatine and the good affinity of aptamers for their targets, the combination of aptamer and gelatine type B is reported as promising for the development of biosensing devices. Here, an aptamer for chloramphenicol (CAP) is mixed with different types of gelatine and dropped on the surface of disposable gold screen printed electrodes. The signal of the CAP reduction is investigated using differential pulse voltammetry. The diagnostic performance of the sensor is described and a detection limit of 1.83 x 10(-10) M is found. The selectivity and the stability of the aptasensor are studied and compared to those of other CAP sensors described in literature. |
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 |
000354236100025 |
Publication Date |
2015-03-27 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1424-8220 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.677 |
Times cited |
21 |
Open Access |
|
Notes |
; Ezat Hamidi-Asl was financially supported by IOF-POC (University of Antwerp). ; |
Approved |
Most recent IF: 2.677; 2015 IF: 2.245 |
Call Number |
UA @ admin @ c:irua:126071 |
Serial |
5464 |
Permanent link to this record |
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Author |
Verbruggen, S.W. |
Title |
TiO2 photocatalysis for the degradation of pollutants in gas phase : from morphological design to plasmonic enhancement |
Type |
A1 Journal article |
Year |
2015 |
Publication |
Journal of photochemistry and photobiology: C: photochemistry reviews |
Abbreviated Journal |
J Photoch Photobio C |
Volume |
24 |
Issue |
|
Pages |
64-82 |
Keywords |
A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL) |
Abstract |
TiO2-based photocatalysis has become a viable technology in various application fields such as (waste)water purification, photovoltaics/artificial photosynthesis, environmentally friendly organic synthesis and remediation of air pollution. Because of the increasing impact of bad air quality worldwide, this review focuses on the use and optimization of TiO2-based photocatalysts for gas phase applications. Over the past years various specific aspects of TiO2 photocatalysis have been reviewed individually. The intent of this review is to offer a broad tutorial on (recent) trends in TiO2 photocatalyst modification for the intensification of photocatalytic air treatment. After briefly introducing the fundamentals of photocatalysis, TiO2 photocatalyst modification is discussed both on a morphological and an electronic level from the perspective of gas phase applications. The main focus is laid on recent developments, but also possible opportunities to the field. This review is intended as a solid introduction for researchers new to the field, as well as a summarizing update for established investigators. (C) 2015 Elsevier B.V. All rights reserved. |
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 |
000360420600004 |
Publication Date |
2015-07-23 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
|
ISSN |
1389-5567 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
12.317 |
Times cited |
121 |
Open Access |
|
Notes |
; The author wishes to thank the Research Foundation Flanders (FWO) for the financial support and postdoctoral fellowship. ; |
Approved |
Most recent IF: 12.317; 2015 IF: 16.091 |
Call Number |
UA @ admin @ c:irua:127801 |
Serial |
5997 |
Permanent link to this record |
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Author |
Papageorgiou, D.G.; Filippousi, M.; Pavlidou, E.; Chrissafis, K.; Van Tendeloo, G.; Bikiaris, D. |
Title |
Effect of clay modification on structureproperty relationships and thermal degradation kinetics of \beta-polypropylene/clay composite materials |
Type |
A1 Journal article |
Year |
2015 |
Publication |
Journal of thermal analysis and calorimetry |
Abbreviated Journal |
J Therm Anal Calorim |
Volume |
122 |
Issue |
122 |
Pages |
393-406 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
The influence of neat and organically modified montmorillonite on the structureproperty relationships of a β-nucleated polypropylene matrix has been thoroughly investigated. High-angle annular dark field scanning transmission electron microscopy revealed that the organic modification of clay facilitated the dispersion of the clay, while X-ray diffractograms showed the α-nucleating effect of the clays on the β-nucleated matrix. The results from tensile tests showed that the organic modification of MMT affected profoundly only the tensile strength at yield and at break. The effect of the organic modification of the clay on the thermal stability of the composites was finally evaluated by thermogravimetric analysis, where the samples filled with oMMT decomposed faster than the ones filled with neat MMT, due to the decomposition of the organic salts that were initially used for the modification of MMT. A kinetics study of the thermal degradation of the composites was also performed, in order to export additional conclusions on the activation energy of the samples. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
S.l. |
Editor |
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Language |
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Wos |
000361431200042 |
Publication Date |
2015-04-29 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
|
ISSN |
1388-6150;1588-2926; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
1.953 |
Times cited |
7 |
Open Access |
|
Notes |
262348 Esmi |
Approved |
Most recent IF: 1.953; 2015 IF: 2.042 |
Call Number |
c:irua:127492 |
Serial |
805 |
Permanent link to this record |
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Author |
Filippousi, M.; Turner, S.; Katsikini, M.; Pinakidou, F.; Zamboulis, D.; Pavlidou, E.; Van Tendeloo, G. |
Title |
Direct observation and structural characterization of natural and metal ion-exchanged HEU-type zeolites |
Type |
A1 Journal article |
Year |
2015 |
Publication |
Microporous and mesoporous materials: zeolites, clays, carbons and related materials |
Abbreviated Journal |
Micropor Mesopor Mat |
Volume |
210 |
Issue |
210 |
Pages |
185-193 |
Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
Abstract |
The atomic structure of natural HEU-type zeolite and two ion-exchanged variants of the zeolite, Ag+ (Ag-HEU) and Zn2+ (Zn-HEU) ion exchanged HEU-type zeolites, are investigated using advanced transmission electron microscopy techniques in combination with X-ray powder diffraction and X-ray absorption fine structure measurements. In both ion-exchanged materials, loading of the natural HEU zeolite is confirmed. Using low-voltage, aberration-corrected transmission electron microscopy at low-dose conditions, the local crystal structure of natural HEU-type zeolite is determined and the interaction of the ion-exchanged natural zeolites with the Ag+ and Zn2+ ions is studied. In the case of Ag-HEU, the presence of Ag+ ions and clusters at extra-framework sites as well as Ag nanoparticles has been confirmed. The Ag nanoparticles are preferentially positioned at the zeolite surface. For Zn-HEU, no large Zn(O) nanopartides are present, instead, the HEU channels are evidenced to be decorated by small Zn(O) clusters. (c) 2015 Elsevier Inc. All rights reserved. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Amsterdam |
Editor |
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Language |
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Wos |
000353733300024 |
Publication Date |
2015-02-13 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
|
ISSN |
1387-1811; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.615 |
Times cited |
5 |
Open Access |
|
Notes |
246791 Countatoms; Iap-Pai; Fwo |
Approved |
Most recent IF: 3.615; 2015 IF: 3.453 |
Call Number |
c:irua:126006 |
Serial |
715 |
Permanent link to this record |
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Author |
Lin, F.; Meng, X.; Kukueva, E.; Kus, M.; Mertens, M.; Bals, S.; Van Doorslaer, S.; Cool, P. |
Title |
Novel method to synthesize highly ordered ethane-bridged PMOs under mild acidic conditions : taking advantages of phosphoric acid |
Type |
A1 Journal article |
Year |
2015 |
Publication |
Microporous and mesoporous materials: zeolites, clays, carbons and related materials |
Abbreviated Journal |
Micropor Mesopor Mat |
Volume |
207 |
Issue |
207 |
Pages |
61-70 |
Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Laboratory of adsorption and catalysis (LADCA) |
Abstract |
Highly ordered SBA-15-type ethane-bridged PMOs have been obtained by employing H3PO4 as acid to tune the pH in the presence of copolymer surfactant P123. The effects of the acidity and the addition of inorganic salt on the formation of the mesostructure are investigated. It is found that, compared with HCl, the polyprotic weak acid H3PO4 is preferable for the synthesis of highly ordered SBA-15-type ethane-bridged PMOs with larger pore size and surface areas under mild acidic conditions. Moreover, taking the advantages of the mild acidic condition, vanadium-containing SBA-15-type ethane-bridged PMOs were successfully prepared through a direct synthesis approach. The XRD, N2-sorption, UVVis and CW-EPR studies of the V-PMO show that part of the vanadium species are present in polymeric (VOV)n clusters, while part of the vanadium centers are well-dispersed and immobilized on the inner surface of the mesopores. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Amsterdam |
Editor |
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Language |
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Wos |
000350518600009 |
Publication Date |
2015-01-14 |
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 |
|
ISSN |
1387-1811; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.615 |
Times cited |
5 |
Open Access |
OpenAccess |
Notes |
; The Erasmus Mundus CONNEC program is acknowledged for PhD funding of F.Lin. Furthermore, the authors acknowledge support by the GOA-BOF project 'Optimization of the structure-activity relation in nanoporous materials', funded by the University of Antwerp. ; |
Approved |
Most recent IF: 3.615; 2015 IF: 3.453 |
Call Number |
c:irua:123910 |
Serial |
2379 |
Permanent link to this record |
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Author |
Chemchuen, S.; Zhou, K.; Kabir, N.A.; Chen, Y.; Ke, X.; Van Tendeloo, G.; Verpoort, F. |
Title |
Tuning metal sites of DABCO MOF for gas purification at ambient conditions |
Type |
A1 Journal article |
Year |
2015 |
Publication |
Microporous and mesoporous materials: zeolites, clays, carbons and related materials |
Abbreviated Journal |
Micropor Mesopor Mat |
Volume |
201 |
Issue |
201 |
Pages |
277-285 |
Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
Abstract |
Metalorganic frameworks (MOFs) have emerged as new porous materials for capture and separation of binary gas mixtures. Tuning the metal sites in MOF structures has an impact on properties, which enhance affinity of gas adsorption and selectivity (e.g., surface area, cavity, electric field, etc.). The synthesis and characterization of a M-DABCO series (M = Ni, Co, Cu, Zn) of MOFs are described in this study. The experiments were conducted using multicomponent gas mixtures and the Ideal Adsorbed Solution Theory (IAST) was applied to determine the CO2/CH4 selectivity. Experimental adsorption isotherms were fitted with a model equation to evaluate the characteristic adsorption energy (Isosteric, Qst) of this series. The Ni metal in the M-DABCO series reveals the best performance concerning CO2 adsorption and CH4/CO2 selectivity at ambient conditions based on IAST calculations. The combination of characterizations, calculations and adsorption experiments were used to discuss the metal impact on the adsorption sites in the M-DABCO series at ambient conditions. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Amsterdam |
Editor |
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Language |
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Wos |
000345185200030 |
Publication Date |
2014-09-20 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
|
ISSN |
1387-1811; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.615 |
Times cited |
38 |
Open Access |
|
Notes |
246791-Countatoms |
Approved |
Most recent IF: 3.615; 2015 IF: 3.453 |
Call Number |
c:irua:120473 |
Serial |
3748 |
Permanent link to this record |
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Author |
Verbruggen, S.W.; Lenaerts, S.; Denys, S. |
Title |
Analytic versus CFD approach for kinetic modeling of gas phase photocatalysis |
Type |
A1 Journal article |
Year |
2015 |
Publication |
Chemical engineering journal |
Abbreviated Journal |
Chem Eng J |
Volume |
262 |
Issue |
|
Pages |
1-8 |
Keywords |
A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
Abstract |
In this work two methods for determining the LangmuirHinshelwood kinetic parameters for a slit-shaped flat bed photocatalytic reactor are compared: an analytic mass transfer based model adapted from literature and a computational fluid dynamics (CFD) approach that was used in conjunction with a simplex optimization routine. Despite the differences between both approaches, similar values for the kinetic parameters and similar trends in terms of their UV intensity dependence were found. Using an effectiveness-NTU (number of transfer units) approach, the analytic mass transfer based method could quantify the relative contributions of the rate limiting steps through a reaction effectiveness parameter. The numeric CFD approach on the other hand could yield the two kinetic parameters that determine the photocatalytic reaction rate simultaneously. Furthermore, it proved to be more accurate as it accounts for the spatial variation of flow rate, reaction rate and concentrations at the surface of the photocatalyst. We elaborate this dual kinetic analysis with regard to the photocatalytic degradation of acetaldehyde in air over a silicon wafer coated with a layer of TiO2 P25 (Evonik) and study the usefulness and limitations of both strategies. |
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 |
000347577700001 |
Publication Date |
2014-09-28 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
|
ISSN |
1385-8947; 1873-3212 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
6.216 |
Times cited |
30 |
Open Access |
|
Notes |
; S.W.V. acknowledges the Research Foundation of Flanders (FWO) for financial support. ; |
Approved |
Most recent IF: 6.216; 2015 IF: 4.321 |
Call Number |
UA @ admin @ c:irua:119724 |
Serial |
5927 |
Permanent link to this record |
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Author |
Jochems, P.; Mueller, T.; Satyawali, Y.; Diels, L.; Dejonghe, W.; Hanefeld, U. |
Title |
Active site titration of immobilized beta-galactosidase for the determination of active enzymes |
Type |
A1 Journal article |
Year |
2015 |
Publication |
Biochemical engineering journal |
Abbreviated Journal |
|
Volume |
93 |
Issue |
|
Pages |
137-141 |
Keywords |
A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
Abstract |
In the present study, an active site titration method is demonstrated, to determine the amount of active enzyme (beta-galactosidase), immobilized on a support. Two types of supports were investigated, viz, amino acrylic resin and a mixed matrix membrane. Furthermore, 2',4'-dinitrophenyl 2-deoxy-2-fluoro-beta-D-galactopyranoside was used as an inhibitor for the active site titration of immobilized beta-galactosidase obtained from Kluyveromyces lactis. Using the active site titration, approximately 8.3 mg of active enzyme was found on 1 g of dried commercially available SPRIN imibond, which is an amino acrylic resin with covalently bound beta-galactosidase obtained from K. lactis. However, this method, in its present form, was not effective on the mixed matrix membranes due to the irreversible partial adsorption of the leaving group (2',4'-dinitrophenolate) by the membrane. This observation implied that it is important to investigate interactions between the support and the used inhibitor and leaving group. (C) 2014 Elsevier B.V. All rights reserved. |
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 |
000347362100018 |
Publication Date |
2014-10-23 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
|
ISSN |
1369-703x; 1873-295x |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
|
Times cited |
|
Open Access |
|
Notes |
|
Approved |
no |
Call Number |
UA @ admin @ c:irua:123763 |
Serial |
7417 |
Permanent link to this record |
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Author |
Becker, T.; Nelissen, K.; Cleuren, B. |
Title |
Current fluctuations in boundary driven diffusive systems in different dimensions : a numerical study |
Type |
A1 Journal article |
Year |
2015 |
Publication |
New journal of physics |
Abbreviated Journal |
New J Phys |
Volume |
17 |
Issue |
17 |
Pages |
055023 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
We use kinetic Monte Carlo simulations to investigate current fluctuations in boundary driven generalized exclusion processes, in different dimensions. Simulation results are in full agreement with predictions based on the additivity principle and the macroscopic fluctuation theory. The current statistics are independent of the shape of the contacts with the reservoirs, provided they are macroscopic in size. In general, the current distribution depends on the spatial dimension. For the special cases of the symmetric simple exclusion process and the zero-range process, the current statistics are the same for all spatial dimensions. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
|
Place of Publication |
Bristol |
Editor |
|
Language |
|
Wos |
000355282700001 |
Publication Date |
2015-05-27 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1367-2630; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.786 |
Times cited |
5 |
Open Access |
|
Notes |
; We thank Christian Van den Broeck for bringing this problem to our attention. We are grateful to Bart Partoens and Carlo Vanderzande for a careful reading of the manuscript. This work was supported by the Flemish Science Foundation (Fonds Wetenschappelijk Onderzoek), Project No. G038811N. The computational resources and services used in this work were provided by the VSC (Flemish Supercomputer Center), funded by the Hercules Foundation and the Flemish Government-department EWI. ; |
Approved |
Most recent IF: 3.786; 2015 IF: 3.558 |
Call Number |
c:irua:126405 |
Serial |
592 |
Permanent link to this record |
|
|
|
Author |
Van Gaens, W.; Iseni, S.; Schmidt-Bleker, A.; Weltmann, K.-D.; Reuter, S.; Bogaerts, A. |
Title |
Numerical analysis of the effect of nitrogen and oxygen admixtures on the chemistry of an argon plasma jet operating at atmospheric pressure |
Type |
A1 Journal article |
Year |
2015 |
Publication |
New journal of physics |
Abbreviated Journal |
New J Phys |
Volume |
17 |
Issue |
17 |
Pages |
033003 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
In this paper we study the cold atmospheric pressure plasma jet, called kinpen, operating in Ar with different admixture fractions up to 1% pure , and + . Moreover, the device is operating with a gas curtain of dry air. The absolute net production rates of the biologically active ozone () and nitrogen dioxide () species are measured in the far effluent by quantum cascade laser absorption spectroscopy in the mid-infrared. Additionally, a zero-dimensional semi-empirical reaction kinetics model is used to calculate the net production rates of these reactive molecules, which are compared to the experimental data. The latter model is applied throughout the entire plasma jet, starting already within the device itself. Very good qualitative and even quantitative agreement between the calculated and measured data is demonstrated. The numerical model thus yields very useful information about the chemical pathways of both the and the generation. It is shown that the production of these species can be manipulated by up to one order of magnitude by varying the amount of admixture or the admixture type, since this affects the electron kinetics significantly at these low concentration levels. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
Bristol |
Editor |
|
Language |
|
Wos |
000352898500003 |
Publication Date |
2015-03-03 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1367-2630; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.786 |
Times cited |
29 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 3.786; 2015 IF: 3.558 |
Call Number |
c:irua:124228 |
Serial |
2391 |
Permanent link to this record |
|
|
|
Author |
Verlackt, C.C.W.; Neyts, E.C.; Jacob, T.; Fantauzzi, D.; Golkaram, M.; Shin, Y.-K.; van Duin, A.C.T.; Bogaerts, A. |
Title |
Atomic-scale insight into the interactions between hydroxyl radicals and DNA in solution using the ReaxFF reactive force field |
Type |
A1 Journal article |
Year |
2015 |
Publication |
New journal of physics |
Abbreviated Journal |
New J Phys |
Volume |
17 |
Issue |
17 |
Pages |
103005 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
Cold atmospheric pressure plasmas have proven to provide an alternative treatment of cancer by targeting tumorous cells while leaving their healthy counterparts unharmed. However, the underlying mechanisms of the plasma–cell interactions are not yet fully understood. Reactive oxygen species, and in particular hydroxyl radicals (OH), are known to play a crucial role in plasma driven apoptosis of
malignant cells. In this paper we investigate the interaction of OH radicals, as well as H2O2 molecules and HO2 radicals, with DNA by means of reactive molecular dynamics simulations using the ReaxFF force field. Our results provide atomic-scale insight into the dynamics of oxidative stress on DNA caused by the OH radicals, while H2O2 molecules appear not reactive within the considered timescale. Among the observed processes are the formation of 8-OH-adduct radicals, forming the first stages towards the formation of 8-oxoGua and 8-oxoAde, H-abstraction reactions of the amines, and the partial opening of loose DNA ends in aqueous solution. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
|
Place of Publication |
|
Editor |
|
Language |
|
Wos |
000367328100001 |
Publication Date |
2015-10-02 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1367-2630; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.786 |
Times cited |
18 |
Open Access |
|
Notes |
CCWV,ECN and AB acknowledge the contribution of J Van Beeck who is investigating the interaction between H2O2 andDNAusingrMDsimulations. Furthermore, they acknowledge financial support from the Fund for Scientific Research—Flanders (project number G012413N). The calculations were performed using the Turing HPCinfrastructure 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 Universiteit Antwerpen. TJ and DF gratefully acknowledge support from the European Research Council through the ERC-Starting GrantTHEOFUN(Grant Agreement No. 259608). |
Approved |
Most recent IF: 3.786; 2015 IF: 3.558 |
Call Number |
c:irua:129178 |
Serial |
3955 |
Permanent link to this record |
|
|
|
Author |
Zhang, Y.; Wang, H.-yu; Jiang, W.; Bogaerts, A. |
Title |
Two-dimensional particle-in cell/Monte Carlo simulations of a packed-bed dielectric barrier discharge in air at atmospheric pressure |
Type |
A1 Journal article |
Year |
2015 |
Publication |
New journal of physics |
Abbreviated Journal |
New J Phys |
Volume |
17 |
Issue |
17 |
Pages |
083056 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
The plasma behavior in a parallel-plate dielectric barrier discharge (DBD) is simulated by a two-dimensional particle-in-cell/Monte Carlo collision model, comparing for the first time an unpacked (empty) DBD with a packed bed DBD, i.e., a DBD filled with dielectric spheres in the gas gap. The calculations are performed in air, at atmospheric pressure. The discharge is powered by a pulse with a voltage amplitude of −20 kV. When comparing the packed and unpacked DBD reactors with the same dielectric barriers, it is clear that the presence of the dielectric packing leads to a transition in discharge behavior from a combination of negative streamers and unlimited surface streamers on the bottom dielectric surface to a combination of predominant positive streamers and limited surface discharges on the dielectric surfaces of the beads and plates. Furthermore, in the packed bed DBD, the electric field is locally enhanced inside the dielectric material, near the contact points between the beads and the plates, and therefore also in the plasma between the packing beads and between a bead and the dielectric wall, leading to values of $4\times {10} |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
Bristol |
Editor |
|
Language |
|
Wos |
000360957800003 |
Publication Date |
2015-08-28 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1367-2630; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.786 |
Times cited |
22 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 3.786; 2015 IF: 3.558 |
Call Number |
c:irua:127650 |
Serial |
3777 |
Permanent link to this record |
|
|
|
Author |
Mahmoudi, H.; Renn, O.; Hoffmann, V.; Van Passel, S.; Azadi, H. |
Title |
Social risk screening using a socio-political ambiguity approach : the case of organic agriculture in Iran |
Type |
A1 Journal article |
Year |
2015 |
Publication |
Journal Of Risk Research |
Abbreviated Journal |
J Risk Res |
Volume |
18 |
Issue |
6 |
Pages |
747-770 |
Keywords |
A1 Journal article; Sociology; Engineering Management (ENM) |
Abstract |
|
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
|
Editor |
|
Language |
|
Wos |
000356236300009 |
Publication Date |
2014-05-08 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1366-9877 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
1.34 |
Times cited |
1 |
Open Access |
|
Notes |
; H.M. thanks the Ministry of Science, Research, and Technology of Iran (MSRT) for a PhD fellowship. The authors wish to thank Dr. Stefan Burkart for his kind help to improve the English of the paper. ; |
Approved |
Most recent IF: 1.34; 2015 IF: 0.935 |
Call Number |
UA @ admin @ c:irua:127534 |
Serial |
6249 |
Permanent link to this record |
|
|
|
Author |
Yalcin, A.O.; Goris, B.; van Dijk-Moes, R.J.A.; Fan, Z.; Erdamar, A.K.; Tichelaar, F.D.; Vlugt, T.J.H.; Van Tendeloo, G.; Bals, S.; Vanmaekelbergh, D.; Zandbergen, H.W.; van Huis, M.A.; |
Title |
Heat-induced transformation of CdSe-CdS-ZnS coremultishell quantum dots by Zn diffusion into inner layers |
Type |
A1 Journal article |
Year |
2015 |
Publication |
Chemical communications |
Abbreviated Journal |
Chem Commun |
Volume |
51 |
Issue |
51 |
Pages |
3320-3323 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
In this work, we investigate the thermal evolution of CdSeCdSZnS coremultishell quantum dots (QDs) in situ using transmission electron microscopy (TEM). Starting at a temperature of approximately 250 °C, Zn diffusion into inner layers takes place together with simultaneous evaporation of particularly Cd and S. As a result of this transformation, CdxZn1−xSeCdyZn1−yS coreshell QDs are obtained. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
London |
Editor |
|
Language |
|
Wos |
000349325000004 |
Publication Date |
2014-11-21 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1359-7345;1364-548X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
6.319 |
Times cited |
21 |
Open Access |
OpenAccess |
Notes |
262348 Esmi; Fwo; 246791 Countatoms; 335078 Colouratom; ECAS_Sara; (ROMEO:yellow; preprint:; postprint:restricted ; pdfversion:cannot); |
Approved |
Most recent IF: 6.319; 2015 IF: 6.834 |
Call Number |
c:irua:132582 |
Serial |
1412 |
Permanent link to this record |
|
|
|
Author |
Bogaerts, A.; Kozak, T.; van Laer, K.; Snoeckx, R. |
Title |
Plasma-based conversion of CO2: current status and future challenges |
Type |
A1 Journal article |
Year |
2015 |
Publication |
Faraday discussions |
Abbreviated Journal |
Faraday Discuss |
Volume |
183 |
Issue |
183 |
Pages |
217-232 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
This paper discusses our recent results on plasma-based CO2 conversion, obtained by a combination of experiments and modeling, for a dielectric barrier discharge (DBD), a microwave plasma and a packed bed DBD reactor. The results illustrate that plasma technology is quite promising for CO2 conversion, but more research is needed to better understand the underlying mechanisms and to further improve the capabilities. |
Address |
Research Group PLASMANT, University of Antwerp, Department of Chemistry, Universiteitsplein 1, Antwerp, Belgium. annemie.bogaerts@uantwerpen.be |
Corporate Author |
|
Thesis |
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Publisher |
|
Place of Publication |
|
Editor |
|
Language |
English |
Wos |
000365914900013 |
Publication Date |
2015-06-29 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1359-6640 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.588 |
Times cited |
89 |
Open Access |
|
Notes |
We thank R. Aerts and W. van Gaens for setting up the experimental systems and for the interesting results obtained during their PhD study in our group. We also acknowledge nancial support from the IAP/7 (Inter-university Attraction Pole) program ‘PSI-Physical Chemistry of Plasma-Surface Interactions’ by the Belgian Federal Office for Science Policy (BELSPO), the Fund for Scientic Research Flanders (FWO) and the EU-FP7-ITN network “RAPID”. |
Approved |
Most recent IF: 3.588; 2015 IF: 4.606 |
Call Number |
c:irua:130318 |
Serial |
3983 |
Permanent link to this record |
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|
|
Author |
Wang, X.; Kustov, S.; Li, K.; Schryvers, D.; Verlinden, B.; Van Humbeeck, J. |
Title |
Effect of nanoprecipitates on the transformation behavior and functional properties of a Ti50.8 at.% Ni alloy with micron-sized grains |
Type |
A1 Journal article |
Year |
2015 |
Publication |
Acta materialia |
Abbreviated Journal |
Acta Mater |
Volume |
82 |
Issue |
82 |
Pages |
224-233 |
Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
Abstract |
In order to take advantage of both grain refinement and precipitation hardening effects, nanoscaled Ni4Ti3 precipitates are introduced in a Ti50.8 at.% Ni alloy with micron-sized grains (average grain size of 1.7 μm). Calorimetry, electrical resistance studies and thermomechanical tests were employed to study the transformation behavior and functional properties in relation to the obtained microstructure. A significant suppression of martensite transformation by the obtained microstructure is observed. The thermomechanical tests show that the advantageous properties of both grain refinement and precipitation hardening are combined in the developed materials, resulting in superior shape memory characteristics and stability of pseudoelasticity. It is concluded that introducing nanoscaled Ni4Ti3 precipitates into small grains is a new approach to improve the functional properties of NiTi shape memory alloys. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
Oxford |
Editor |
|
Language |
|
Wos |
000347017800021 |
Publication Date |
2014-10-04 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1359-6454; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
5.301 |
Times cited |
51 |
Open Access |
|
Notes |
Fwo |
Approved |
Most recent IF: 5.301; 2015 IF: 4.465 |
Call Number |
c:irua:120469 |
Serial |
824 |
Permanent link to this record |
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|
|
Author |
Pollefeyt, G.; Meledin, A.; Pop, C.; Ricart, S.; Hühne, R.; Van Tendeloo, G.; Van Driessche, I. |
Title |
Chemical stability of YBiO3 buffer layers for implementation in YBa2Cu3O7-δ coated conductors |
Type |
A1 Journal article |
Year |
2015 |
Publication |
Acta materialia |
Abbreviated Journal |
Acta Mater |
Volume |
100 |
Issue |
100 |
Pages |
224-231 |
Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
Abstract |
In this work, the chemical and microstructural stability of YBiO3 buffer layers during the growth of YBa2Cu3O7-δ (YBCO) was studied. The superconducting YBCO films were deposited via both Pulsed Laser Deposition as well as Chemical Solution Deposition. Although excellent superconducting properties are obtained in both cases, self-field critical current densities of 3.6 and 1.2 MA/cm2 respectively, chemical instability of the YBiO3 buffer layer is observed. An elaborate transmission electron microscopy study showed that in the case of vacuum deposited YBCO, the YBiO3 becomes unstable and Bi2O3 sublimates out of the architecture. Due to this structural instability, an intermediate Y2O3 layer is obtained which maintains it microstructural orientation relation with the substrate and acts as growth template for YBCO. For chemical solution deposited YBCO, reaction of YBCO with the YBiO3 buffer layer is observed, leading to large grains of YBa2BiO6 which are pushed towards the surface of the films and strongly reduce the superconducting properties. Upon using high growth temperatures for the superconducting layer, these secondary phases decompose, which subsequently leads to Bi2O3 sublimation and a textured YBCO film which directly nucleated onto the LaAlO3 single crystal substrate. Hence, this electron microscopy study indicates that bismuth-based buffer layers systems are not suitable for implementation in coated conductors. |
Address |
|
Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
|
Editor |
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Language |
|
Wos |
000362616400023 |
Publication Date |
2015-08-29 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1359-6454; |
ISBN |
|
Additional Links |
UA library record; WoS full record |
Impact Factor |
5.301 |
Times cited |
|
Open Access |
|
Notes |
One of the authors (G.P.) would like to thank the Institute for the Promotion of Innovation through Science and Technology in Flanders (IWT) for funding. Part of this work was performed within the framework of the EuroTapes project (FP7-NMP.2011.2.2-1 Grant No. 280438), funded by the European Union. |
Approved |
Most recent IF: 5.301; 2015 IF: 4.465 |
Call Number |
c:irua:128757 |
Serial |
3953 |
Permanent link to this record |
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|
|
Author |
Van De Vijver, E.; Van Meirvenne, M.; Saey, T.; Delefortrie, S.; De Smedt, P.; De Pue, J.; Seuntjens, P. |
Title |
Combining multi-receiver electromagnetic induction and stepped frequency ground penetrating radar for industrial site investigation |
Type |
A1 Journal article |
Year |
2015 |
Publication |
European journal of soil science |
Abbreviated Journal |
|
Volume |
66 |
Issue |
4 |
Pages |
688-698 |
Keywords |
A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL) |
Abstract |
The soil at industrial sites is frequently characterized by very heterogeneous properties, which are often related to physical disturbance and contamination. A conventional approach to characterize the soil, with only a limited number of invasive observations, fails to capture the full extent of soil heterogeneity. Proximal soil sensing provides efficient tools to record spatially dense soil information. Nevertheless, because the output of most sensors is affected by more than one soil property, the simultaneous characterization of different soil properties requires the use of multiple sensors. Here, we apply multi-receiver electromagnetic induction (EMI) and stepped frequency ground penetrating radar (GPR) to survey a former gasworks site in a seaport area of Belgium. We used the EMI and GPR sensors in a motorized system to obtain densely sampled measurements of apparent electrical conductivity, apparent magnetic susceptibility and contrasts in relative dielectric permittivity. Our study shows that the sensors give detailed information on the variation in these electromagnetic soil properties. Interpretation of the variation in terms of the stratification of the soil was hampered by localized anthropogenic disturbances. However, the sensors provided complementary information that enabled the identification, discrimination and accurate location of several of these localized disturbances, including underground utility services such as electric cables, buried structures such as the remains of foundations and contamination by salts. Because these represent typical targets in industrial site investigation, we conclude that multi-receiver EMI and stepped frequency GPR provide a useful set of tools to expedite the investigation of industrial sites. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
|
Editor |
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Language |
|
Wos |
000357341900008 |
Publication Date |
2015-02-27 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1351-0754 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
|
Times cited |
|
Open Access |
|
Notes |
|
Approved |
no |
Call Number |
UA @ admin @ c:irua:127112 |
Serial |
7684 |
Permanent link to this record |
|
|
|
Author |
Grujić, M.M.; Tadic, M.Z.; Peeters, F.M. |
Title |
Chiral properties of topological-state loops |
Type |
A1 Journal article |
Year |
2015 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
91 |
Issue |
91 |
Pages |
245432 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
The angular momentum quantization of chiral gapless modes confined to a circularly shaped interface between two different topological phases is investigated. By examining several different setups, we show analytically that the angular momentum of the topological modes exhibits a highly chiral behavior, and can be coupled to spin and/or valley degrees of freedom, reflecting the nature of the interface states. A simple general one-dimensional model, valid for arbitrarily shaped loops, is shown to predict the corresponding energies and the magnetic moments. These loops can be viewed as building blocks for artificial magnets with tunable and highly diverse properties. |
Address |
|
Corporate Author |
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Thesis |
|
Publisher |
|
Place of Publication |
Lancaster, Pa |
Editor |
|
Language |
|
Wos |
000356928200005 |
Publication Date |
2015-06-27 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.836 |
Times cited |
6 |
Open Access |
|
Notes |
; This work was supported by the Ministry of Education, Science and Technological Development (Serbia), and the Fonds Wetenschappelijk Onderzoek (Belgium). ; |
Approved |
Most recent IF: 3.836; 2015 IF: 3.736 |
Call Number |
c:irua:127039 |
Serial |
357 |
Permanent link to this record |
|
|
|
Author |
Petrovic, M.D.; Peeters, F.M. |
Title |
Fano resonances in the conductance of graphene nanoribbons with side gates |
Type |
A1 Journal article |
Year |
2015 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
91 |
Issue |
91 |
Pages |
035444 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
The control of side gates on the quantum electron transport in narrow graphene ribbons of different widths and edge types (armchair and zigzag) is investigated. The conductance exhibits Fano resonances with varying side gate potential. Resonant and antiresonant peaks in the conductance can be associated with the eigenstates of a closed system, and these peaks can be accurately fitted with a Fano line shape. The local density of states (LDOS) and the electron current show a specific behavior at these resonances, which depends on the ribbon edge type. In zigzag ribbons, transport is dominated by intervalley scattering, which is reflected in the transmission functions of individual modes. The side gates induce p-n interfaces near the edges at which the LDOS exhibits peaks. Near the resonance points, the electron current flows uniformly through the constriction, while near the antiresonances it creates vortices. In the armchair ribbons the LDOS spreads in areas of high potential, with current flowing near the edges. |
Address |
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Corporate Author |
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Thesis |
|
Publisher |
|
Place of Publication |
|
Editor |
|
Language |
|
Wos |
000351217900005 |
Publication Date |
2015-01-30 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.836 |
Times cited |
17 |
Open Access |
|
Notes |
; This work was supported by the Methusalem programme of the Flemish government. ; |
Approved |
Most recent IF: 3.836; 2015 IF: 3.736 |
Call Number |
c:irua:125422 |
Serial |
1172 |
Permanent link to this record |
|
|
|
Author |
Schoelz, J.K.; Xu, P.; Meunier, V.; Kumar, P.; Neek-Amal, M.; Thibado, P.M.; Peeters, F.M. |
Title |
Graphene ripples as a realization of a two-dimensional Ising model : a scanning tunneling microscope study |
Type |
A1 Journal article |
Year |
2015 |
Publication |
Physical review: B: condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
91 |
Issue |
91 |
Pages |
045413 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
Ripples in pristine freestanding graphene naturally orient themselves in an array that is alternately curved-up and curved-down; maintaining an average height of zero. Using scanning tunneling microscopy (STM) to apply a local force, the graphene sheet will reversibly rise and fall in height until the height reaches 60%-70% of its maximum at which point a sudden, permanent jump occurs. We successfully model the ripples as a spin-half Ising magnetic system, where the height of the graphene plays the role of the spin. The permanent jump in height, controlled by the tunneling current, is found to be equivalent to an antiferromagnetic-to-ferromagnetic phase transition. The thermal load underneath the STM tip alters the local tension and is identified as the responsible mechanism for the phase transition. Four universal critical exponents are measured from our STM data, and the model provides insight into the statistical role of graphene's unusual negative thermal expansion coefficient. |
Address |
|
Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Lancaster, Pa |
Editor |
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Language |
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Wos |
000348762200011 |
Publication Date |
2015-01-12 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
|
ISSN |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.836 |
Times cited |
21 |
Open Access |
|
Notes |
; This work was supported in part by Office of Naval Research (USA) under Grant No. N00014-10-1-0181 and National Science Foundation (USA) under Grant No. DMR-0855358. F. M. Peeters and M. Neek-Amal were supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem Foundation of the Flemish Government. ; |
Approved |
Most recent IF: 3.836; 2015 IF: 3.736 |
Call Number |
c:irua:123866 |
Serial |
1377 |
Permanent link to this record |
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Author |
Bacaksiz, C.; Sahin, H.; Ozaydin, H.D.; Horzum, S.; Senger, R.T.; Peeters, F.M. |
Title |
Hexagonal A1N : dimensional-crossover-driven band-gap transition |
Type |
A1 Journal article |
Year |
2015 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
91 |
Issue |
91 |
Pages |
085430 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
Motivated by a recent experiment that reported the successful synthesis of hexagonal (h) AlN [Tsipas et al., Appl. Phys. Lett. 103, 251605 (2013)], we investigate structural, electronic, and vibrational properties of bulk, bilayer, and monolayer structures of h-AlN by using first-principles calculations. We show that the hexagonal phase of the bulk h-AlN is a stable direct-band-gap semiconductor. The calculated phonon spectrum displays a rigid-layer shear mode at 274 cm(-1) and an E-g mode at 703 cm(-1), which are observable by Raman measurements. In addition, single-layer h-AlN is an indirect-band-gap semiconductor with a nonmagnetic ground state. For the bilayer structure, AA'-type stacking is found to be the most favorable one, and interlayer interaction is strong. While N-layered h-AlN is an indirect-band-gap semiconductor for N = 1 – 9, we predict that thicker structures (N >= 10) have a direct band gap at the Gamma point. The number-of-layer-dependent band-gap transitions in h-AlN is interesting in that it is significantly different from the indirect-to-direct crossover obtained in the transition-metal dichalcogenides. |
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 |
000350319200020 |
Publication Date |
2015-02-27 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.836 |
Times cited |
99 |
Open Access |
|
Notes |
; This work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem foundation of the Flemish government. Computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure). C.B. and R.T.S. acknowledge the support from TUBITAK Project No 114F397. H.S. is supported by a FWO Pegasus Long Marie Curie Fellowship. ; |
Approved |
Most recent IF: 3.836; 2015 IF: 3.736 |
Call Number |
c:irua:125416 |
Serial |
1421 |
Permanent link to this record |
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Author |
Nishio, K.; Lu, A.K.A.; Pourtois, G. |
Title |
Low-strain Si/O superlattices with tunable electronic properties : ab initio calculations |
Type |
A1 Journal article |
Year |
2015 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
91 |
Issue |
91 |
Pages |
165303 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
We propose that low-strain Si/O superlattices can be constructed by connecting reconstructed Si{001} surfaces by Si-O-Si bridges. Ab initio calculations show that our models are energetically more favorable than all the models proposed so far. The part of our Si/O superlattice model is experimentally accessible just by oxidizing a Si( 001) substrate. To complete our Si/O superlattice model, we propose a three-step method. We also explore the potential of our Si/O superlattice models for new materials used in future Si electronics. We find that the location of the channel where the carriers travel can be controlled between the interfaces and the Si layers by the insertion of O atoms into the Si-Si dimers. By revealing the origins of the interface electron and hole states, we find that similar interface states should be easily achieved for Si slabs and Si substrates. Interestingly, the interface electrons and holes have small effective masses in the direction parallel to the channel and large effective masses in the direction normal to the channel, which makes the Si/O superlattices attractive to be used for channel materials. We also find that the valley splitting of Si is enhanced by the formation of the Si/O/Si interfaces, which is ideal for developing Si-based qubits. Our findings open new perspectives to design and control the electronic properties of Si. |
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 |
000352986700002 |
Publication Date |
2015-04-16 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.836 |
Times cited |
6 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 3.836; 2015 IF: 3.736 |
Call Number |
c:irua:125998 |
Serial |
1852 |
Permanent link to this record |
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Author |
Tahir, M.; Vasilopoulos, P.; Peeters, F.M. |
Title |
Magneto-optical transport properties of monolayer phosphorene |
Type |
A1 Journal article |
Year |
2015 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
92 |
Issue |
92 |
Pages |
045420 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
The electronic properties of monolayer phosphorene are exotic due to its puckered structure and large intrinsic direct band gap. We derive and discuss its band structure in the presence of a perpendicular magnetic field. Further, we evaluate the magneto-optical Hall and longitudinal optical conductivities as functions of temperature, magnetic field, and Fermi energy, and show that they are strongly influenced by the magnetic field. The imaginary part of the former and the real part of the latter exhibit regular interband oscillations as functions of the frequency omega in the range (h) over bar omega similar to 1.5-2 eV. Strong intraband responses in the latter and weak ones in the former occur at much lower frequencies. The magneto-optical response can be tuned in the microwave-to-terahertz and visible frequency ranges in contrast with a conventional two-dimensional electron gas or graphene in which the response is limited to the terahertz regime. This ability to isolate carriers in an anisotropic structure may make phosphorene a promising candidate for new optical devices. |
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 |
000358373600003 |
Publication Date |
2015-07-23 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.836 |
Times cited |
68 |
Open Access |
|
Notes |
; This work was supported by the the Canadian NSERC Grant No. OGP0121756 (M.T., P.V.) and by the Flemish Science Foundation (FWO-Vl) (F.M.P.). ; |
Approved |
Most recent IF: 3.836; 2015 IF: 3.736 |
Call Number |
c:irua:127192 |
Serial |
1903 |
Permanent link to this record |
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Author |
Zha, G.-Q.; Covaci, L.; Peeters, F.M.; Zhou, S.-P. |
Title |
Mixed pairing symmetries and flux-induced spin current in mesoscopic superconducting loops with spin correlations |
Type |
A1 Journal article |
Year |
2015 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
91 |
Issue |
91 |
Pages |
214504 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
We numerically investigate the mixed pairing symmetries inmesoscopic superconducting loops in the presence of spin correlations by solving the Bogoliubov-de Gennes equations self-consistently. The spatial variations of the superconducting order parameters and the spontaneous magnetization are determined by the band structure. When the threaded magnetic flux turns on, the charge and spin currents both emerge and depict periodic evolution. In the case of a mesoscopic loop with dominant triplet p(x) +/- ip(y)-wave symmetry, a slight change of the chemical potential may lead to novel flux-dependent evolution patterns of the ground-state energy and the magnetization. The spin-polarized currents show pronounced quantum oscillations with fractional periods due to the appearance of energy jumps in flux, accompanied with a steplike feature of the enhanced spin current. Particularly, at some appropriate flux, the peaks of the zero-energy local density of states clearly indicate the occurrence of the odd-frequency pairing. In the case of a superconducting loop with dominant singlet d(x2-y2)-wave symmetry, the spatial profiles of the zero-energy local density of states and the magnetization show spin-dependent features on different sample diagonals. Moreover, the evolution of the flux-induced spin current always exhibits an hc/e periodicity. |
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 |
000355647100003 |
Publication Date |
2015-06-05 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.836 |
Times cited |
15 |
Open Access |
|
Notes |
; This work was supported by the National Natural Science Foundation of China under Grants No. 61371020 and No. 61271163, by the Visiting Scholar Program of Shanghai Municipal Education Commission, and by the Flemish Science Foundation (FWO-Vl). ; |
Approved |
Most recent IF: 3.836; 2015 IF: 3.736 |
Call Number |
c:irua:126433 |
Serial |
2089 |
Permanent link to this record |
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Author |
Muñoz, W.A.; Covaci, L.; Peeters, F.M. |
Title |
Disordered graphene Josephson junctions |
Type |
A1 Journal article |
Year |
2015 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
91 |
Issue |
91 |
Pages |
054506 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
A tight-binding approach based on the Chebyshev-Bogoliubov-de Gennes method is used to describe disordered single-layer graphene Josephson junctions. Scattering by vacancies, ripples, or charged impurities is included. We compute the Josephson current and investigate the nature of multiple Andreev reflections, which induce bound states appearing as peaks in the density of states for energies below the superconducting gap. In the presence of single-atom vacancies, we observe a strong suppression of the supercurrent, which is a consequence of strong intervalley scattering. Although lattice deformations should not induce intervalley scattering, we find that the supercurrent is still suppressed, which is due to the presence of pseudomagnetic barriers. For charged impurities, we consider two cases depending on whether the average doping is zero, i.e., existence of electron-hole puddles, or finite. In both cases, short-range impurities strongly affect the supercurrent, similar to the vacancies scenario. |
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 |
000349436500001 |
Publication Date |
2015-02-06 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1098-0121;1550-235X; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.836 |
Times cited |
7 |
Open Access |
|
Notes |
This work was supported by the Flemish Science Foundation (FWO-Vlaanderen) and the Methusalem funding of the Flemish Government. |
Approved |
Most recent IF: 3.836; 2015 IF: 3.736 |
Call Number |
c:irua:129192 |
Serial |
3961 |
Permanent link to this record |
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Author |
Szaszko-Bogar, V.; Peeters, F.M.; Foeldi, P. |
Title |
Oscillating spin-orbit interaction in two-dimensional superlattices : sharp transmission resonances and time-dependent spin-polarized currents |
Type |
A1 Journal article |
Year |
2015 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
91 |
Issue |
91 |
Pages |
235311 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
We consider ballistic transport through a lateral, two-dimensional superlattice with experimentally realizable, sinusoidally oscillating, Rashba-type spin-orbit interaction (SOI). The periodic structure of the rectangular lattice produces a spin-dependent miniband structure for static SOI. Using Floquet theory, transmission peaks are shown to appear in themini-bandgaps as a consequence of the additional, time-dependent SOI. A detailed analysis shows that this effect is due to the generation of harmonics of the driving frequency, via which, e.g., resonances that cannot be excited in the case of static SOI become available. Additionally, the transmitted current shows space-and time-dependent partial spin polarization, in other words, polarization waves propagate through the superlattice. |
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 |
000355956500003 |
Publication Date |
2015-06-10 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1098-0121;1550-235X; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.836 |
Times cited |
10 |
Open Access |
|
Notes |
; This work was partially supported by the European Union and the European Social Fund through Projects No. TAMOP-4.2.2.C-11/1/KONV-2012-0010 and No. TAMOP-4.2.2.A-11/1/KONV-2012-0060, and by the Hungarian Scientific Research Fund (OTKA) under Contracts No. T81364 and No. 116688. The ELI-ALPS Project (GOP-1.1.1-12/B-2012-0001) is supported by the European Union and cofinanced by the European Regional Development Fund. ; |
Approved |
Most recent IF: 3.836; 2015 IF: 3.736 |
Call Number |
c:irua:126432 |
Serial |
2534 |
Permanent link to this record |