| Records |
| Author |
Bogaerts, A.; Gijbels, R.; Goedheer, W. |
| Title |
Hybrid Monte Carlo-fluid model of a direct current glow discharge |
Type |
A1 Journal article |
| Year |
1995 |
Publication |
Journal of applied physics |
Abbreviated Journal |
J Appl Phys |
| Volume |
78 |
Issue |
|
Pages |
2233-2241 |
| Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| Abstract |
|
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
|
| Language |
|
Wos |
A1995RP71800009 |
Publication Date |
2002-07-26 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0021-8979; |
ISBN |
|
Additional Links  |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
2.183 |
Times cited |
117 |
Open Access |
|
| Notes |
|
Approved |
no |
| Call Number |
UA @ lucian @ c:irua:12262 |
Serial |
1526 |
| Permanent link to this record |
| |
|
| |
| Author |
Van der Stighelen, K.; Janssens, K.; van der Snickt, G.; Alfeld, M.; Van Beneden, B.; Demarsin, B.; Proesmans, M.; Marchal, G.; Dik, J. |
| Title |
Young Anthony van Dyck revisited : a multidisciplinary approach to a portrait once attributed to Peter Paul Rubens |
Type |
A3 Journal article |
| Year |
2014 |
Publication |
Art matters : international journal for technical art history |
Abbreviated Journal |
|
| Volume |
6 |
Issue |
|
Pages |
21-35 |
| Keywords |
A3 Journal article; Art; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
| Abstract |
Part of the collection of the Rubens House in Antwerp is a portrait of young Anthony van Dyck, alternatively attributed to Peter Paul Rubens and his pupil Anthony van Dyck. In order to reconstruct the genesis of the portrait in a manner that improves upon past investigations, a number of high-end technological methods, such as X-radiography, X-ray computer tomography, mammographic tomosynthesis and macroscopic X-ray fluorescence, have been employed to render the overpainted layers visible again. The results of the interdisciplinary examinations of the portrait of the youthful Van Dyck are impressive. The combined results allow the later additions to be peeled away until the original composition can be reached. Several pentimenti are easily discernible and refer to a rather immature hand that makes the authorship of Peter Paul Rubens very unlikely. What emerges is a portrait of an ambitious young man with a luxuriant head of hair and a slightly turned-up collar. The hat and cape were added later. The facial features are more recognisable and the execution of the bold curls points irrefutably in the direction of Anthony van Dyck as the author of his own portrait. |
| 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 |
|
Publication Date |
|
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
|
ISBN |
|
Additional Links |
UA library record |
| Impact Factor |
|
Times cited |
|
Open Access |
|
| Notes |
|
Approved |
Most recent IF: NA |
| Call Number |
UA @ admin @ c:irua:122562 |
Serial |
5922 |
| Permanent link to this record |
| |
|
| |
| Author |
Kolev, S.; Bogaerts, A. |
| Title |
A 2D model for a gliding arc discharge |
Type |
A1 Journal article |
| Year |
2015 |
Publication |
Plasma sources science and technology |
Abbreviated Journal |
Plasma Sources Sci T |
| Volume |
24 |
Issue |
24 |
Pages |
015025 |
| Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| Abstract |
In this study we report on a 2D fluid model of a gliding arc discharge in argon. Despite the 3D nature of the discharge, 2D models are found to be capable of providing very useful information about the operation of the discharge. We employ two modelsan axisymmetric and a Cartesian one. We show that for the considered experiment and the conditions of a low current arc (around 30 mA) in argon, there is no significant heating of the cathode surface and the discharge is sustained by field electron emission from the cathode accompanied by the formation of a cathode spot. The obtained discharge power and voltage are relatively sensitive to the surface properties and particularly to the surface roughness, causing effectively an amplification of the normal electric field. The arc body and anode region are not influenced by this and depend mainly on the current value. The gliding of the arc is modelled by means of a 2D Cartesian model. The arcelectrode contact points are analysed and the gliding mechanism along the electrode surface is discussed. Following experimental observations, the cathode spot is simulated as jumping from one point to another. A complete arc cycle is modelled from initial ignition to arc decay. The results show that there is no interaction between the successive gliding arcs. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
Institute of Physics |
Place of Publication |
Bristol |
Editor |
|
| Language |
|
Wos |
000348298200026 |
Publication Date |
2014-12-23 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0963-0252;1361-6595; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.302 |
Times cited |
34 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 3.302; 2015 IF: 3.591 |
| Call Number |
c:irua:122538 c:irua:122538 c:irua:122538 c:irua:122538 |
Serial |
3 |
| Permanent link to this record |
| |
|
| |
| Author |
Hoeks, C.; Azadi, H.; Khachak, P.R.; Troyo-Dieguez, E.; Van Passel, S.; Witlox, F. |
| Title |
Reforming land-tenure systems in South Africa : routes to socio-economic and agricultural sustainability |
Type |
A1 Journal article |
| Year |
2014 |
Publication |
Development policy review |
Abbreviated Journal |
|
| Volume |
32 |
Issue |
6 |
Pages |
647-674 |
| Keywords |
A1 Journal article; Economics; Law |
| Abstract |
Given the historical development of land tenure in South Africa, the aim of this article is to examine the best routes to alleviate poverty and retain sustainable agriculture in the country. First, a theoretical framework is presented that relates land tenure to sustainability, and three historical periods (pre-colonial, colonial, and apartheid) are then considered to explain the changes in land tenure and their consequences. The progress and main limitations of post-apartheid land reform to approach agricultural sustainability and alleviate poverty are discussed. Based on the analysis, different possibilities for future land reform are elaborated, followed by some recommendations for future land-reform policies in South Africa. |
| Address |
|
| Corporate Author |
|
Thesis |
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| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
000342755600001 |
Publication Date |
2014-09-29 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
|
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
|
Times cited |
3 |
Open Access |
|
| Notes |
; ; |
Approved |
Most recent IF: NA |
| Call Number |
UA @ admin @ c:irua:122509 |
Serial |
6241 |
| Permanent link to this record |
| |
|
| |
| Author |
Dumpala, S.; Broderick, S.R.; Khalilov, U.; Neyts, E.C.; van Duin, A.C.T.; Provine, J.; Howe, R.T.; Rajan, K. |
| Title |
Integrated atomistic chemical imaging and reactive force field molecular dynamic simulations on silicon oxidation |
Type |
A1 Journal article |
| Year |
2015 |
Publication |
Applied physics letters |
Abbreviated Journal |
Appl Phys Lett |
| Volume |
106 |
Issue |
106 |
Pages |
011602 |
| Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| Abstract |
In this paper, we quantitatively investigate with atom probe tomography, the effect of temperature on the interfacial transition layer suboxide species due to the thermal oxidation of silicon. The chemistry at the interface was measured with atomic scale resolution, and the changes in chemistry and intermixing at the interface were identified on a nanometer scale. We find an increase of suboxide (SiOx) concentration relative to SiO2 and increased oxygen ingress with elevated temperatures. Our experimental findings are in agreement with reactive force field molecular dynamics simulations. This work demonstrates the direct comparison between atom probe derived chemical profiles and atomistic-scale simulations for transitional interfacial layer of suboxides as a function of temperature. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
|
| Language |
|
Wos |
000347976900008 |
Publication Date |
2015-01-06 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0003-6951;1077-3118; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.411 |
Times cited |
19 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 3.411; 2015 IF: 3.302 |
| Call Number |
c:irua:122300 |
Serial |
1679 |
| Permanent link to this record |
| |
|
| |
| Author |
Kozák, T.; Bogaerts, A. |
| Title |
Evaluation of the energy efficiency of CO2 conversion in microwave discharges using a reaction kinetics model |
Type |
A1 Journal article |
| Year |
2015 |
Publication |
Plasma sources science and technology |
Abbreviated Journal |
Plasma Sources Sci T |
| Volume |
24 |
Issue |
24 |
Pages |
015024 |
| Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| Abstract |
We use a zero-dimensional reaction kinetics model to simulate CO2 conversion in microwave discharges where the excitation of the vibrational levels plays a significant role in the dissociation kinetics. The model includes a description of the CO2 vibrational kinetics, taking into account state-specific VT and VV relaxation reactions and the effect of vibrational excitation on other chemical reactions. The model is used to simulate a general tubular microwave reactor, where a stream of CO2 flows through a plasma column generated by microwave radiation. We study the effects of the internal plasma parameters, namely the reduced electric field, electron density and the total specific energy input, on the CO2 conversion and its energy efficiency. We report the highest energy efficiency (up to 30%) for a specific energy input in the range 0.41.0 eV/molecule and a reduced electric field in the range 50100 Td and for high values of the electron density (an ionization degree greater than 10−5). The energy efficiency is mainly limited by the VT relaxation which contributes dominantly to the vibrational energy losses and also contributes significantly to the heating of the reacting gas. The model analysis provides useful insight into the potential and limitations of CO2 conversion in microwave discharges. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
Institute of Physics |
Place of Publication |
Bristol |
Editor |
|
| Language |
|
Wos |
000348298200025 |
Publication Date |
2014-12-23 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0963-0252;1361-6595; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.302 |
Times cited |
100 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 3.302; 2015 IF: 3.591 |
| Call Number |
c:irua:122243 |
Serial |
1087 |
| Permanent link to this record |
| |
|
| |
| Author |
Ovsyannikov, S.V.; Karkin, A.E.; Morozova, N.V.; Shchennikov, V.V.; Bykova, E.; Abakumov, A.M.; Tsirlin, A.A.; Glazyrin, K.V.; Dubrovinsky, L. |
| Title |
A hard oxide semiconductor with a direct and narrow bandgap and switchable pn electrical conduction |
Type |
A1 Journal article |
| Year |
2014 |
Publication |
Advanced materials |
Abbreviated Journal |
Adv Mater |
| Volume |
26 |
Issue |
48 |
Pages |
8185-8191 |
| Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
| Abstract |
An oxide semiconductor (perovskite-type Mn2O3) is reported which has a narrow and direct bandgap of 0.45 eV and a high Vickers hardness of 15 GPa. All the known materials with similar electronic band structures (e.g., InSb, PbTe, PbSe, PbS, and InAs) play crucial roles in the semiconductor industry. The perovskite-type Mn2O3 described is much stronger than the above semiconductors and may find useful applications in different semiconductor devices, e.g., in IR detectors. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
Weinheim |
Editor |
|
| Language |
|
Wos |
000346480800016 |
Publication Date |
2014-10-27 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0935-9648; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
19.791 |
Times cited |
27 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 19.791; 2014 IF: 17.493 |
| Call Number |
UA @ lucian @ c:irua:122230 |
Serial |
1408 |
| Permanent link to this record |
| |
|
| |
| Author |
Dendooven, J.; Devloo-Casier, K.; Ide, M.; Grandfield; Kurttepeli; Ludwig, K.F.; Bals, S.; Van der Voort, P.; Detavernier, C. |
| Title |
Atomic layer deposition-based tuning of the pore size in mesoporous thin films studied by in situ grazing incidence small angle X-ray scattering |
Type |
A1 Journal article |
| Year |
2014 |
Publication |
Nanoscale |
Abbreviated Journal |
Nanoscale |
| Volume |
6 |
Issue |
24 |
Pages |
14991-14998 |
| Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
| Abstract |
Atomic layer deposition (ALD) enables the conformal coating of porous materials, making the technique suitable for pore size tuning at the atomic level, e.g., for applications in catalysis, gas separation and sensing. It is, however, not straightforward to obtain information about the conformality of ALD coatings deposited in pores with diameters in the low mesoporous regime (<10 nm). In this work, it is demonstrated that in situ synchrotron based grazing incidence small angle X-ray scattering (GISAXS) can provide valuable information on the change in density and internal surface area during ALD of TiO2 in a porous titania film with small mesopores (3-8 nm). The results are shown to be in good agreement with in situ X-ray fluorescence data representing the evolution of the amount of Ti atoms deposited in the porous film. Analysis of both datasets indicates that the minimum pore diameter that can be achieved by ALD is determined by the size of the Ti-precursor molecule. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
Cambridge |
Editor |
|
| Language |
|
Wos |
000345458200051 |
Publication Date |
2014-10-13 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
2040-3364;2040-3372; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
7.367 |
Times cited |
41 |
Open Access |
OpenAccess |
| Notes |
239865 Cocoon; 335078 Colouratom; Fwo; ECAS_Sara; (ROMEO:yellow; preprint:; postprint:restricted ; pdfversion:cannot); |
Approved |
Most recent IF: 7.367; 2014 IF: 7.394 |
| Call Number |
UA @ lucian @ c:irua:122227 |
Serial |
169 |
| Permanent link to this record |
| |
|
| |
| Author |
Pospisilova, A.; Filippov, S.K.; Bogomolova, A.; Turner, S.; Sedlacek, O.; Matushkin, N.; Cernochova, Z.; Stepanek, P.; Hruby, M. |
| Title |
Glycogen-graft-poly(2-alkyl-2-oxazolines) – the new versatile biopolymer-based thermoresponsive macromolecular toolbox |
Type |
A1 Journal article |
| Year |
2014 |
Publication |
RSC advances |
Abbreviated Journal |
Rsc Adv |
| Volume |
4 |
Issue |
106 |
Pages |
61580-61588 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
This study is focused on thermoresponsive glycogen-graft-poly(2-alkyl-2-oxazolines), a new group of nanostructured hybrid dendrimeric stimuli-responsive polymers connecting the body's own biodegradable polysaccharidic dendrimer glycogen with the widely tuneable thermoresponsive behavior of polypeptide-analogic poly(2-alkyl-2-oxazolines), which are known to be biocompatible. Glycogen-graft-poly(2-alkyl-2-oxazolines) were prepared by a simple one-pot two-step procedure involving cationic ring-opening polymerization of 2-alkyl-2-oxazolines followed by termination of the living cationic ends with sodium glycogenate. As confirmed by light and X-ray scattering, as well as cryo-transmission electron microscopy, the grafted dendrimer structure allows easy adjustment of the cloud point temperature, the concentration dependence and nanostructure of the self-assembled phase separated polymer by crosstalk during graft composition, the graft length and the grafting density, in a very wide range. |
| Address |
|
| Corporate Author |
|
Thesis |
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| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
000345656600045 |
Publication Date |
2014-11-04 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
2046-2069; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.108 |
Times cited |
15 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 3.108; 2014 IF: 3.840 |
| Call Number |
UA @ lucian @ c:irua:122222 |
Serial |
1355 |
| Permanent link to this record |
| |
|
| |
| Author |
Benito, P.; de Nolf, W.; Nuyts, G.; Janssens, K.; et al. |
| Title |
Role of coating-metallic support interaction in the properties of electrosynthesized Rh-based structured catalysts |
Type |
A1 Journal article |
| Year |
2014 |
Publication |
ACS catalysis |
Abbreviated Journal |
Acs Catal |
| Volume |
4 |
Issue |
10 |
Pages |
3779-3790 |
| Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
| Abstract |
Rh-structured catalysts for the catalytic partial oxidation of CH4 to syngas were prepared by electrosynthesis of Rh-containing hydrotalcite-type (HT) compounds on FeCrAlloy foams followed by calcination at 900 degrees C. During the calcination the simultaneous decomposition of the layered HT structure and formation of the protective FeCrAlloy outer shell in alumina occurred. Here, we studied the role of the coating-metallic support interaction in the properties of the catalysts after calcination, H-2 reduction, and catalytic tests, by a combination of electron (FEG-SEM/EDS) and synchrotron X-ray (XRF/XRPD and XRF/XANES) microscopic techniques. The characterization of crystalline phases in the metallic support and coating and distribution of Rh active species was carried out on several samples prepared by modifying the Rh content in the electrolytic solution (Rh/Mg/Al = 11.0/70.0/19.0, 5.0/70.0/25.0, 0/70.0/30.0 atomic ratio). A sample was also prepared with no aluminum in the electrolytic solution (Rh/Mg/Al = 13.6/86.4/0.0 atomic ratio) and calcined at 550 and 900 degrees C. The interaction between the elements of the metallic support and the catalytic coating increased the film adhesion during the thermal treatment and catalytic tests and modified the catalyst crystalline phases. A chemical reaction between Al corning from the foam and Mg in the coating occurred during calcination at high temperature leading to the formation of spinel phases in which rhodium is solved, together with some Rh2O3 and Rh. The metallic support was oxidized forming the corundum scale and chromium oxides, moreover t-Al2O3 was identified. For the Rh11.0Mg70.0Al19.0 catalyst the inclusion of Rh in the spinel phase decreased its reducibility in the H-2 pretreatment. The reduction continued during catalytic tests by feeding diluted CH4/O-2/He gas mixtures, evidenced by the catalyst activation. While under concentrated gas mixtures the deactivation occurred, probably by oxidation. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
000345735200053 |
Publication Date |
2014-09-24 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
2155-5435 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
10.614 |
Times cited |
13 |
Open Access |
|
| Notes |
; The authors thank the scientists who assisted during the conducted experiments: D. Grolimund and C. N. Borca for the mu XRF/XRPD experiments performed at MicroXAS Beamline of SLS, M. Janousch for the mu XRF/XANES experiments at Phoenix Beamline of the SLS, M. Salome for the mu XRE/XANES experiments at ID21 Beamline of the ESRF, and I. Guerra for the FEG-SEM/EDS experiments at Granada University. Thanks must go to Porvair for supplying FeCrAlloy foams. The financial support from the Ministero per l'Istruzione, l'Universita e la Ricerca (MIUR, Roma, I) is gratefully acknowledged. ; |
Approved |
Most recent IF: 10.614; 2014 IF: 9.312 |
| Call Number |
UA @ admin @ c:irua:122215 |
Serial |
5820 |
| Permanent link to this record |
| |
|
| |
| Author |
Hutter, E.M.; Bladt, E.; Goris, B.; Pietra, F.; van der Bok, J.C.; Boneschanscher, M.P.; de Donega, C.M.; Bals, S.; Vanmaekelbergh, D. |
| Title |
Conformal and atomic characterization of ultrathin CdSe platelets with a helical shape |
Type |
A1 Journal article |
| Year |
2014 |
Publication |
Nano letters |
Abbreviated Journal |
Nano Lett |
| Volume |
14 |
Issue |
11 |
Pages |
6257-6262 |
| Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
| Abstract |
Currently, ultrathin colloidal CdSe semiconductor nanoplatelets (NPLs) with a uniform thickness that is controllable up to the atomic scale can be prepared. The optical properties of these 2D semiconductor systems are the subject of extensive research. Here, we reveal their natural morphology and atomic arrangement. Using cryo-TEM (cryo-transmission electron microscopy), we show that the shape of rectangular NPLs in solution resembles a helix. Fast incorporation of these NPLs in silica preserves and immobilizes their helical shape, which allowed us to perform an in-depth study by high angle annular dark field scanning transmission electron microscopy (HAADF-STEM). Electron tomography measurements confirm and detail the helical shape of these systems. Additionally, high-resolution HAADF-STEM shows the thickness of the NPLs on the atomic scale and furthermore that these are consistently folded along a ?110? direction. The presence of a silica shell on both the top and bottom surfaces shows that Cd atoms must be accessible for silica precursor (and ligand) molecules on both sides. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
Washington |
Editor |
|
| Language |
|
Wos |
000345723800036 |
Publication Date |
2014-10-27 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
1530-6984 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
12.712 |
Times cited |
43 |
Open Access |
OpenAccess |
| Notes |
Dariusz Mitoraj, Hans Meeldijk, Relinde van Dijk-Moes, and Stephan Zevenhuizen are acknowledged for technical support and help with some experiments. The research leading to these results has received funding from the European Research Council under the European Union’s Seventh Framework Programme (FP/2007-2013)/ERC Grant Agreement no. 291667. The authors acknowledge financial support from FOM and NOW [FOM program Functional NanoParticle Solids (FNPS)]. S.B. acknowledges financial support from European Research Council (ERC Starting Grant #335078- COLOURATOMS). E.B. and B.G. gratefully acknowledge financial support by the Flemish Fund for Scientific Research (FWO Vlaanderen).; ECAS_Sara; (ROMEO:white; preprint:; postprint:restricted 12 months embargo; pdfversion:cannot); |
Approved |
Most recent IF: 12.712; 2014 IF: 13.592 |
| Call Number |
UA @ lucian @ c:irua:122209 |
Serial |
490 |
| Permanent link to this record |
| |
|
| |
| Author |
Esfahani, D.N.; Covaci, L.; Peeters, F.M. |
| Title |
Nonlinear response to electric field in extended Hubbard models |
Type |
A1 Journal article |
| Year |
2014 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
| Volume |
90 |
Issue |
20 |
Pages |
205121 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
The electric-field response of a one-dimensional ring of interacting fermions, where the interactions are described by the extended Hubbard model, is investigated. By using an accurate real-time propagation scheme based on the Chebyshev expansion of the evolution operator, we uncover various nonlinear regimes for a range of interaction parameters that allows modeling of metallic and insulating (either charge density wave or spin density wave insulators) rings. The metallic regime appears at the phase boundary between the two insulating phases and provides the opportunity to describe either weakly or strongly correlated metals. We find that the fidelity susceptibility of the ground state as a function of magnetic flux piercing the ring provides a very good measure of the short-time response. Even completely different interacting regimes behave in a similar manner at short time scales as long as the ground-state fidelity susceptibility is the same. Depending on the strength of the electric field we find various types of responses: persistent currents in the insulating phase, a dissipative regime, or damped Bloch-like oscillations with varying frequencies or even irregular in nature. Furthermore, we also consider the dimerization of the ring and describe the response of a correlated band insulator. In this case the distribution of the energy levels is more clustered and the Bloch-like oscillations become even more irregular. |
| 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 |
|
| Language |
|
Wos |
000345423300002 |
Publication Date |
2014-11-15 |
| 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 |
3 |
Open Access |
|
| Notes |
; This work was supported by the Flemish Science Foundation (Fonds Wetenschappelijk Onderzoek – FWO) and the Methusalem program of the Flemish government. One of us (L. C.) receives support as a postdoctoral fellow of the FWO. ; |
Approved |
Most recent IF: 3.836; 2014 IF: 3.736 |
| Call Number |
UA @ lucian @ c:irua:122204 |
Serial |
2355 |
| Permanent link to this record |
| |
|
| |
| Author |
Çakir, D.; Sahin, H.; Peeters, F.M. |
| Title |
Tuning of the electronic and optical properties of single-layer black phosphorus by strain |
Type |
A1 Journal article |
| Year |
2014 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
| Volume |
90 |
Issue |
20 |
Pages |
205421 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
Using first principles calculations we showed that the electronic and optical properties of single-layer black phosphorus (BP) depend strongly on the applied strain. Due to the strong anisotropic atomic structure of BP, its electronic conductivity and optical response are sensitive to the magnitude and the orientation of the applied strain. We found that the inclusion of many body effects is essential for the correct description of the electronic properties of monolayer BP; for example, while the electronic gap of strainless BP is found to be 0.90 eV by using semilocal functionals, it becomes 2.31 eV when many-body effects are taken into account within the G(0)W(0) scheme. Applied tensile strain was shown to significantly enhance electron transport along zigzag direction of BP. Furthermore, biaxial strain is able to tune the optical band gap of monolayer BP from 0.38 eV (at -8% strain) to 2.07 eV (at 5.5%). The exciton binding energy is also sensitive to the magnitude of the applied strain. It is found to be 0.40 eV for compressive biaxial strain of -8%, and it becomes 0.83 eV for tensile strain of 4%. Our calculations demonstrate that the optical response of BP can be significantly tuned using strain engineering which appears as a promising way to design novel photovoltaic devices that capture a broad range of solar spectrum. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
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Editor |
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| Language |
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Wos |
000345642000015 |
Publication Date |
2014-11-17 |
| 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 |
219 |
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), and HPC infrastructure of the University of Antwerp (CalcUA) a division of the Flemish Supercomputer Center (VSC), which is funded by the Hercules foundation. H.S. is supported by a FWO Pegasus Marie Curie-long Fellowship. D.C. is supported by a FWO Pegasus-short Marie Curie Fellowship. ; |
Approved |
Most recent IF: 3.836; 2014 IF: 3.736 |
| Call Number |
UA @ lucian @ c:irua:122203 |
Serial |
3752 |
| Permanent link to this record |
| |
|
| |
| Author |
Toledano-Luque, M.; Matagne, P.; Sibaja-Hernandez, A.; Chiarella, T.; Ragnarsson, L.-A.; Sorée, B.; Cho, M.; Mocuta, A.; Thean, A. |
| Title |
Superior reliability of junctionless pFinFETs by reduced oxide electric field |
Type |
A1 Journal article |
| Year |
2014 |
Publication |
IEEE electron device letters |
Abbreviated Journal |
Ieee Electr Device L |
| Volume |
35 |
Issue |
12 |
Pages |
1179-1181 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
Superior reliability of junctionless (JL) compared with inversion-mode field-effect transistors (FETs) is experimentally demonstrated on bulk FinFET wafers. The reduced negative bias temperature instability (NBTI) of JL pFETs outperforms the previously reported best NBTI reliability data obtained with Si channel devices and guarantees 10-year lifetime at typical operating voltages and high temperature. This behavior is understood through the reduced oxide electric field and lessened interaction between charge carriers and oxide traps during device operation. These findings encourage the investigation of JL devices with alternative channels as a promising alternative for 7-nm technology nodes meeting reliability targets. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
000345575400006 |
Publication Date |
2014-10-21 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0741-3106;1558-0563; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.048 |
Times cited |
13 |
Open Access |
|
| Notes |
; This work was supported by the imec's Core Partner Program. The review of this letter was arranged by Editor J. Schmitz. ; |
Approved |
Most recent IF: 3.048; 2014 IF: 2.754 |
| Call Number |
UA @ lucian @ c:irua:122192 |
Serial |
3378 |
| Permanent link to this record |
| |
|
| |
| Author |
Çakir, D.; Otalvaro, D.M.; Brocks, G. |
| Title |
Magnetoresistance in multilayer fullerene spin valves: A first-principles study |
Type |
A1 Journal article |
| Year |
2014 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
| Volume |
90 |
Issue |
24 |
Pages |
245404 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
Carbon-based molecular semiconductors are explored for application in spintronics because their small spinorbit coupling promises long spin lifetimes. We calculate the electronic transport from first principles through spin valves comprising bi-and tri-layers of the fullerene molecules C-60 and C-70, sandwiched between two Fe electrodes. The spin polarization of the current, and the magnetoresistance depend sensitively on the interactions at the interfaces between the molecules and the metal surfaces. They are much less affected by the thickness of the molecular layers. A high current polarization (CP > 90%) and magnetoresistance (MR > 100%) at small bias can be attained using C-70 layers. In contrast, the current polarization and the magnetoresistance at small bias are vanishingly small for C-60 layers. Exploiting a generalized Julliere model we can trace the differences in spin-dependent transport between C-60 and C-70 layers to differences between the molecule-metal interface states. These states also allow one to interpret the current polarization and the magnetoresistance as a function of the applied bias voltage. |
| 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 |
|
| Language |
|
Wos |
000345875200005 |
Publication Date |
2014-12-02 |
| 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 |
13 |
Open Access |
|
| Notes |
; ; |
Approved |
Most recent IF: 3.836; 2014 IF: 3.736 |
| Call Number |
UA @ lucian @ c:irua:122177 |
Serial |
1928 |
| Permanent link to this record |
| |
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| |
| Author |
Magnus, W.; Nelissen, K. |
| Title |
Quantum diffusion: A simple, exactly solvable model |
Type |
A1 Journal article |
| Year |
2015 |
Publication |
Physica: A : theoretical and statistical physics |
Abbreviated Journal |
Physica A |
| Volume |
417 |
Issue |
417 |
Pages |
96-101 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
We propose a simple quantum mechanical model describing the time dependent diffusion current between two fermion reservoirs that were initially disconnected and characterized by different densities or chemical potentials. The exact, analytical solution of the model yields the transient behavior of the coupled fermion systems evolving to a final steady state, whereas the long-time behavior is determined by a power law rather than by exponential decay. Similar results are obtained for the entropy production which is proportional to the diffusion current. (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 |
Amsterdam |
Editor |
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| Language |
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Wos |
000345721800011 |
Publication Date |
2014-09-28 |
| Series Editor |
|
Series Title |
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Abbreviated Series Title |
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| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0378-4371; |
ISBN |
|
Additional Links |
UA library record; WoS full record |
| Impact Factor |
2.243 |
Times cited |
|
Open Access |
|
| Notes |
; ; |
Approved |
Most recent IF: 2.243; 2015 IF: 1.732 |
| Call Number |
c:irua:122170 |
Serial |
2777 |
| Permanent link to this record |
| |
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| |
| Author |
Guerrero, A.; Pfannmöller, M.; Kovalenko, A.; Ripolles, T.S.; Heidari, H.; Bals, S.; Kaufmann, L.-D.; Bisquert, J.; Garcia-Belmonte, G. |
| Title |
Nanoscale mapping by electron energy-loss spectroscopy reveals evolution of organic solar cell contact selectivity |
Type |
A1 Journal article |
| Year |
2015 |
Publication |
Organic electronics: physics, materials, applications |
Abbreviated Journal |
Org Electron |
| Volume |
16 |
Issue |
16 |
Pages |
227-233 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
Organic photovoltaic (OPV) devices are on the verge of commercialization being long-term stability a key challenge. Morphology evolution during lifetime has been suggested to be one of the main pathways accounting for performance degradation. There is however a lack of certainty on how specifically the morphology evolution relates to individual electrical parameters on operating devices. In this work a case study is created based on a thermodynamically unstable organic active layer which is monitored over a period of one year under non-accelerated degradation conditions. The morphology evolution is revealed by compositional analysis of ultrathin cross-sections using nanoscale imaging in scanning transmission electron microscopy (STEM) coupled with electron energy-loss spectroscopy (EELS). Additionally, devices are electrically monitored in real-time using the non-destructive electrical techniques capacitance-voltage (C-V) and Impedance Spectroscopy (IS). By comparison of imaging and electrical techniques the relationship between nanoscale morphology and individual electrical parameters of device operation can be conclusively discerned. It is ultimately observed how the change in the cathode contact properties occurring after the migration of fullerene molecules explains the improvement in the overall device performance. (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 |
London |
Editor |
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| Language |
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Wos |
000345649500029 |
Publication Date |
2014-11-17 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
1566-1199; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.399 |
Times cited |
24 |
Open Access |
OpenAccess |
| Notes |
287594 Sunflower; 335078 Colouratom; ECAS_Sara; (ROMEO:green; preprint:; postprint:can ; pdfversion:cannot); |
Approved |
Most recent IF: 3.399; 2015 IF: 3.827 |
| Call Number |
c:irua:122169 |
Serial |
2267 |
| Permanent link to this record |
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| |
| Author |
Shenderova, O.; Vargas, A.; Turner, S.; Ivanov, D.M.; Ivanov, M.G. |
| Title |
Nanodiamond-based nanolubricants : investigation of friction surfaces |
Type |
A1 Journal article |
| Year |
2014 |
Publication |
Tribology transactions |
Abbreviated Journal |
Tribol T |
| Volume |
57 |
Issue |
6 |
Pages |
1051-1057 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
Synergistic compositions of detonation nanodiamond (DND) particles with polytetrafluoroethylene and molybdenum dialkyldithiophosphate were used in ring-on-ring, four-ball, and block-on-ring tests as an additive to polyalphaolefins and engine oils. Modest to significant reductions in the friction coefficients, wear, or both were observed. In the wear scars produced in the block-on-ring tests, the friction surfaces were characterized by scanning electron microscopy (SEM), energy-dispersive X-ray spectroscopy (EDX), and profilometry. Significant polishing effects of the friction surfaces in lubricants containing DND were revealed in SEM observations and roughness measurements. The roughness of the scar surfaces produced in the presence of DND additives was about 35% lower than the roughness of the scars observed in pure oil experiments. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
Park Ridge, Ill. |
Editor |
|
| Language |
|
Wos |
000345317900009 |
Publication Date |
2014-06-26 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
1040-2004;1547-397X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
1.685 |
Times cited |
23 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 1.685; 2014 IF: 1.349 |
| Call Number |
UA @ lucian @ c:irua:122161 |
Serial |
2252 |
| Permanent link to this record |
| |
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| |
| Author |
Çakir, D.; Sevik, C.; Peeters, F.M. |
| Title |
Engineering electronic properties of metal-MoSe2 interfaces using self-assembled monolayers |
Type |
A1 Journal article |
| Year |
2014 |
Publication |
Journal of materials chemistry C : materials for optical and electronic devices |
Abbreviated Journal |
J Mater Chem C |
| Volume |
2 |
Issue |
46 |
Pages |
9842-9849 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
Metallic contacts are critical components of electronic devices and the presence of a large Schottky barrier is detrimental for an optimal device operation. Here, we show by using first-principles calculations that a self-assembled monolayer (SAM) of polar molecules between the metal electrode and MoSe2 monolayer is able to convert the Schottky contact into an almost Ohmic contact. We choose -CH3 and -CF3 terminated short-chain alkylthiolate (i.e. SCH3 and fluorinated alkylthiolates (SCF3)) based SAMs to test our approach. We consider both high (Au) and low (Sc) work function metals in order to thoroughly elucidate the role of the metal work function. In the case of Sc, the Fermi level even moves into the conduction band of the MoSe2 monolayer upon SAM insertion between the metal surface and the MoSe2 monolayer, and hence possibly switches the contact type from Schottky to Ohmic. The usual Fermi level pinning at the metal-transition metal dichalcogenide (TMD) contact is shown to be completely removed upon the deposition of a SAM. Systematic analysis indicates that the work function of the metal surface and the energy level alignment between the metal electrode and the TMD monolayer can be tuned significantly by using SAMs as a buffer layer. These results clearly indicate the vast potential of the proposed interface engineering to modify the physical and chemical properties of MoSe2. |
| 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 |
000344998700007 |
Publication Date |
2014-10-16 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
2050-7526;2050-7534; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
5.256 |
Times cited |
22 |
Open Access |
|
| Notes |
; Part of this work is supported by the Flemish Science Foundation (FWO-VI) 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). D. C. is supported by a FWO Pegasus-short Marie Curie Fellowship. C. S. acknowledges the support from Scientific and Technological Research Council of Turkey (TUBITAK 113F096), Anadolu University (BAP-1306F281, -1404F158) and Turkish Academy of Science (TUBA). ; |
Approved |
Most recent IF: 5.256; 2014 IF: 4.696 |
| Call Number |
UA @ lucian @ c:irua:122157 |
Serial |
1046 |
| Permanent link to this record |
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| |
| Author |
van den Broek, B.; Houssa, M.; Pourtois, G.; Afanas'ev, V.V.; Stesmans, A. |
| Title |
Current-voltage characteristics of armchair Sn nanoribbons |
Type |
A1 Journal article |
| Year |
2014 |
Publication |
Physica status solidi: rapid research letters |
Abbreviated Journal |
Phys Status Solidi-R |
| Volume |
8 |
Issue |
11 |
Pages |
931-934 |
| Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| Abstract |
Two-dimensional group-IV lattices silicene and germanene are known to share many of graphene's remarkable mechanical and electronic properties. Due to the out-of-plane buckling of the former materials, there are more means of electronic funtionalization, e.g. by applying uniaxial strain or an out-of-plane electric field. We consider monolayer hexagonal Sn (stanene) as an ideal candidate to feasibly implement and exploit graphene physics for nanoelectronic applications: with increased out-of-plane buckling and sizable spin-orbit coupling it lends itself to improved Dirac cone engineering. We investigate the ballistic charge transport regime of armchair Sn nanoribbons, classified according to the ribbon width W = {3m – 1, 3m, 3m + 1} with integer m. We study transport through (non-magnetic) armchair ribbons using a combination of density functional theory and non-equilibrium Green's functions. Sn ribbons have earlier current onsets and carry currents 20% larger than C/Si/Ge-nanoribbons as the contact resistance of these ribbons is found to be comparable. ((c) 2014 WILEY-VCH Verlag GmbH &Co. KGaA, Weinheim) |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
Berlin |
Editor |
|
| Language |
|
Wos |
000345274300009 |
Publication Date |
2014-09-25 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
1862-6254; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.032 |
Times cited |
9 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 3.032; 2014 IF: 2.142 |
| Call Number |
UA @ lucian @ c:irua:122148 |
Serial |
594 |
| Permanent link to this record |
| |
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| |
| Author |
Grujić, M.M.; Tadić, M.Z.; Peeters, F.M. |
| Title |
Orbital magnetic moments in insulating Dirac systems : impact on magnetotransport in graphene van der Waals heterostructures |
Type |
A1 Journal article |
| Year |
2014 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
| Volume |
90 |
Issue |
20 |
Pages |
205408 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
In honeycomb Dirac systems with broken inversion symmetry, orbital magnetic moments coupled to the valley degree of freedom arise due to the topology of the band structure, leading to valley-selective optical dichroism. On the other hand, in Dirac systems with prominent spin-orbit coupling, similar orbital magnetic moments emerge as well. These moments are coupled to spin, but otherwise have the same functional form as the moments stemming from spatial inversion breaking. After reviewing the basic properties of these moments, which are relevant for a whole set of newly discovered materials, such as silicene and germanene, we study the particular impact that these moments have on graphene nanoengineered barriers with artificially enhanced spin-orbit coupling. We examine transmission properties of such barriers in the presence of a magnetic field. The orbital moments are found to manifest in transport characteristics through spin-dependent transmission and conductance, making them directly accessible in experiments. Moreover, the Zeeman-type effects appear without explicitly incorporating the Zeeman term in the models, i.e., by using minimal coupling and Peierls substitution in continuum and the tight-binding methods, respectively. We find that a quasiclassical view is able to explain all the observed phenomena. |
| 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 |
000344915800009 |
Publication Date |
2014-11-10 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.836 |
Times cited |
5 |
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; 2014 IF: 3.736 |
| Call Number |
UA @ lucian @ c:irua:122141 |
Serial |
2497 |
| Permanent link to this record |
| |
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| |
| Author |
Volkova, N.E.; Lebedev, O.I.; Gavrilova, L.Y.; Turner, S.; Gauquelin, N.; Seikh, M.M.; Caignaert, V.; Cherepanov, V.A.; Raveau, B.; Van Tendeloo, G. |
| Title |
Nanoscale ordering in oxygen deficient quintuple perovskite Sm2-\epsilonBa3+\epsilonFe5O15-\delta : implication for magnetism and oxygen stoichiometry |
Type |
A1 Journal article |
| Year |
2014 |
Publication |
Chemistry of materials |
Abbreviated Journal |
Chem Mater |
| Volume |
26 |
Issue |
21 |
Pages |
6303-6310 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
The investigation of the system SmBaFe-O in air has allowed an oxygen deficient perovskite Sm2-epsilon Ba3+epsilon Fe5O15-delta (delta = 0.75, epsilon = 0.125) to be synthesized. In contrast to the XRPD pattern which gives a cubic symmetry (a(p) = 3.934 angstrom), the combined HREM/EELS study shows that this phase is nanoscale ordered with a quintuple tetragonal cell, a(p) X a(p) X 5(ap). The nanodomains exhibit a unique stacking sequence of the A-site cationic layers along the crystallographic c-axis, namely SmBaBa/SmBa/SmBaSm, and are chemically twinned in the three crystallographic directions. The nanoscale ordering of this perovskite explains its peculiar magnetic properties on the basis of antiferromagnetic interactions with spin blockade at the boundary between the nanodomains. The variation of electrical conductivity and oxygen content of this oxide versus temperature suggest potential SOFC applications. They may be related to the particular distribution of oxygen vacancies in the lattice and to the 3d(5)(L) under bar configuration of iron. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
000344905600029 |
Publication Date |
2014-10-07 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0897-4756;1520-5002; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
9.466 |
Times cited |
16 |
Open Access |
|
| Notes |
The UrFU authors were financially supported by the Ministry of Education and Science of Russian Federation (project N 4.1039.2014/K) and by UrFU under the Framework Program of development of UrFU through the «Young scientists UrFU» competition. The CRISMAT authors gratefully acknowledge the EC, the CNRS and the French Minister of Education and Research for financial support through their Research, Strategic and Scholarship programs. This work was supported by funding from the European Research Council under the Seventh Framework Program (FP7), ERC grant N°246791 – COUNTATOMS. S.T. gratefully acknowledges the fund for scientific research Flanders for a post-doctoral fellowship and for financial support under contract number G004413N. N.G. acknowledges funding from the European Research Council under the 7th Framework Program (FP7), ERC starting grant number 278510 – VORTEX; ECASJO_; |
Approved |
Most recent IF: 9.466; 2014 IF: 8.354 |
| Call Number |
UA @ lucian @ c:irua:122137 |
Serial |
2269 |
| Permanent link to this record |
| |
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| |
| Author |
Becker, T.; Nelissen, K.; Cleuren, B.; Partoens, B.; Van den Broeck, C. |
| Title |
Diffusion of interacting particles in discrete geometries: Equilibrium and dynamical properties |
Type |
A1 Journal article |
| Year |
2014 |
Publication |
Physical review : E : statistical, nonlinear, and soft matter physics |
Abbreviated Journal |
Phys Rev E |
| Volume |
90 |
Issue |
5 |
Pages |
052139 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
We expand on a recent study of a lattice model of interacting particles [Phys. Rev. Lett. 111, 110601 (2013)]. The adsorption isotherm and equilibrium fluctuations in particle number are discussed as a function of the interaction. Their behavior is similar to that of interacting particles in porous materials. Different expressions for the particle jump rates are derived from transition-state theory. Which expression should be used depends on the strength of the interparticle interactions. Analytical expressions for the self-and transport diffusion are derived when correlations, caused by memory effects in the environment, are neglected. The diffusive behavior is studied numerically with kinetic Monte Carlo (kMC) simulations, which reproduces the diffusion including correlations. The effect of correlations is studied by comparing the analytical expressions with the kMC simulations. It is found that the Maxwell-Stefan diffusion can exceed the self-diffusion. To our knowledge, this is the first time this is observed. The diffusive behavior in one-dimensional and higher-dimensional systems is qualitatively the same, with the effect of correlations decreasing for increasing dimension. The length dependence of both the self-and transport diffusion is studied for one-dimensional systems. For long lengths the self-diffusion shows a 1/L dependence. Finally, we discuss when agreement with experiments and simulations can be expected. The assumption that particles in different cavities do not interact is expected to hold quantitatively at low and medium particle concentrations if the particles are not strongly interacting. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
American Institute of Physics |
Place of Publication |
Woodbury (NY) |
Editor |
|
| Language |
|
Wos |
000345251500004 |
Publication Date |
2014-12-04 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
1539-3755;1550-2376; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
2.366 |
Times cited |
8 |
Open Access |
|
| Notes |
; This work was supported by the Flemish Science Foundation (Fonds Wetenschappelijk Onderzoek), Project No. G.0388.11. 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: 2.366; 2014 IF: 2.288 |
| Call Number |
UA @ lucian @ c:irua:122134 |
Serial |
700 |
| Permanent link to this record |
| |
|
| |
| Author |
Shi, J.M.; Peeters, F.M.; Devreese, J.T. |
| Title |
Magneto-polaron effect on shallow donors in bulk GaAs and on D0 and D- in GaAs/AlGaAs superlattices |
Type |
A1 Journal article |
| Year |
1995 |
Publication |
Physica: B : condensed matter |
Abbreviated Journal |
Physica B |
| Volume |
204 |
Issue |
|
Pages |
344-352 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT); Theory of quantum systems and complex systems |
| Abstract |
|
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
Amsterdam |
Editor |
|
| Language |
|
Wos |
A1995QE89500051 |
Publication Date |
2003-05-01 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0921-4526; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
1.319 |
Times cited |
3 |
Open Access |
|
| Notes |
|
Approved |
no |
| Call Number |
UA @ lucian @ c:irua:12211 |
Serial |
1909 |
| Permanent link to this record |
| |
|
| |
| Author |
Lobato Hoyos, I.P.; van Dyck, D. |
| Title |
An accurate parameterization for scattering factors, electron densities and electrostatic potentials for neutral atoms that obey all physical constraints |
Type |
A1 Journal article |
| Year |
2014 |
Publication |
Acta crystallographica: section A: foundations of crystallography |
Abbreviated Journal |
Acta Crystallogr A |
| Volume |
70 |
Issue |
6 |
Pages |
636-649 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Vision lab |
| Abstract |
An efficient procedure and computer program are outlined for fitting numerical X-ray and electron scattering factors with the correct inclusion of all physical constraints. The numerical electron scattering factors have been parameterized using five analytic non-relativistic hydrogen electron scattering factors as basis functions for 103 neutral atoms of the periodic table. The inclusion of the correct physical constraints in the electron scattering factor and its derived quantities allows the use of the new parameterization in different fields. In terms of quality of the fit, the proposed parameterization of the electron scattering factor is one order of magnitude better than the previous analytic fittings. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
Copenhagen |
Editor |
|
| Language |
|
Wos |
000344599300012 |
Publication Date |
2014-10-16 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
2053-2733; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
5.725 |
Times cited |
19 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 5.725; 2014 IF: NA |
| Call Number |
UA @ lucian @ c:irua:122103 |
Serial |
93 |
| Permanent link to this record |
| |
|
| |
| Author |
Monico, L.; Janssens, K.; Vanmeert, F.; Cotte, M.; Brunetti, B.G.; van der Snickt, G.; Leeuwestein, M.; Plisson, J.S.; Menu, M.; Miliani, C. |
| Title |
Degradation process of lead chromate in paintings by Vincent van Gogh studied by means of spectromicroscopic methods : part 5 : effects of nonoriginal surface coatings into the nature and distribution of chromium and sulfur species in chrome yellow paints |
Type |
A1 Journal article |
| Year |
2014 |
Publication |
Analytical chemistry |
Abbreviated Journal |
Anal Chem |
| Volume |
86 |
Issue |
21 |
Pages |
10804-10811 |
| Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
| Abstract |
The darkening of lead chromate yellow pigments, caused by a reduction of the chromate ions to Cr(III) compounds, is known to affect the appearance of several paintings by Vincent van Gogh. In previous papers of this series, we demonstrated that the darkening is activated by light and depends on the chemical composition and crystalline structure of the pigments. In this work, the results of Part 2 are extended and complemented with a new study aimed at deepening the knowledge of the nature and distribution of Cr and S species at the interface between the chrome yellow paint and the nonoriginal coating layer. For this purpose, three microsamples from two varnished paintings by Van Gogh and a waxed low relief by Gauguin (all originally uncoated) have been examined. Because nonoriginal coatings are often present in artwork by Van Gogh and contemporaries, the understanding of whether or not their application has influenced the morphological and/or physicochemical properties of the chrome yellow paint underneath is relevant in view of the conservation of these masterpieces. In all the samples studied, microscopic X-ray fluorescence (mu-XRF) and X-ray absorption near edge structure (mu-XANES) investigations showed that Cr(III)-based alteration products are present in the form of grains inside the coating (generally enriched of S species) and also homogeneously widespread at the paint surface. The distribution of Cr(III) species may be explained by the mechanical friction caused by the coating application by brush that picked up and redistributed the superficial Cr compounds, likely already present in the reduced state as result of the photodegradation process. The analysis of the XANES profiles allowed us to obtain new insights into the nature of the Cr(III) alteration products, that were identified as sulfate-, oxide-, organo-metal-, and chloride-based compounds. Building upon the knowledge acquired through the examination of original paint samples and from the investigation of aged model paints in the last Part 4 paper, in this study we aim to characterize a possible relation between the chemical composition of the coating and the chrome yellow degradation pathways by studying photochemically aged model samples covered with a dammar varnish contaminated with sulfide and sulfate salts. Cr speciation results did not show any evidence of the active role of the varnish and added S species on the reduction process of chrome yellows. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
000344510200043 |
Publication Date |
2014-10-10 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0003-2700; 5206-882x |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
6.32 |
Times cited |
25 |
Open Access |
|
| Notes |
; This research was supported by the Italian projects PRIN (SICH) and PON (ITACHA). The text also presents results from Interuniversity Attraction Poles Programme Belgian Science Policy (S2-ART project S4DA), GOA “XANES meets ELNES” (Research Fund University of Antwerp, Belgium) and FWO (Brussels, Belgium) projects no. G.0704.08 and G.01769.09. ESRF is acknowledged for the grants received (experiments EC-799 and EC-1051). L.M. acknowledges the CNR for the financial support received in the framework of the Short Term Mobility Programme 2013. Thanks are expressed to Ella Hendriks (Van Gogh Museum, Amsterdam) and Muriel Geldof (Cultural Heritage Agency of The Netherlands) for selecting and sharing the information on the cross-section taken from Bank of the Seine. All the staff of the Van Gogh Museum, the Kroller-Muller Museum, and the Musee d'Orsay are acknowledged for the agreeable cooperation. ; |
Approved |
Most recent IF: 6.32; 2014 IF: 5.636 |
| Call Number |
UA @ admin @ c:irua:122100 |
Serial |
5570 |
| Permanent link to this record |
| |
|
| |
| Author |
de Keyser, A.; Bogaerts, R.; van Bockstal, L.; Hoeks, W.; Herlach, F.; Karavolas, V.C.; Peeters, F.M.; van de Graaf, W.; Borghs, G. |
| Title |
Magnetotransport properties of Si-δ-doped InSb layers grown on GaAs |
Type |
A1 Journal article |
| Year |
1995 |
Publication |
Physica: B : condensed matter |
Abbreviated Journal |
Physica B |
| Volume |
211 |
Issue |
|
Pages |
455-457 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
|
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
Amsterdam |
Editor |
|
| Language |
|
Wos |
A1995RD54400118 |
Publication Date |
2003-05-01 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0921-4526; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
1.319 |
Times cited |
2 |
Open Access |
|
| Notes |
|
Approved |
no |
| Call Number |
UA @ lucian @ c:irua:12210 |
Serial |
1936 |
| Permanent link to this record |
| |
|
| |
| Author |
Prodi, A.; Daoud-Aladine, A.; Gozzo, F.; Schmitt, B.; Lebedev, O.; Van Tendeloo, G.; Gilioli, E.; Bolzoni, F.; Aruga-Katori, H.; Takagi, H.; Marezio, M.; Gauzzi, A.; |
| Title |
Commensurate structural modulation in the charge- and orbitally ordered phase of the quadruple perovskite (NaMn3)Mn4O12 |
Type |
A1 Journal article |
| Year |
2014 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
| Volume |
90 |
Issue |
18 |
Pages |
180101 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
By means of synchrotron x-ray and electron diffraction, we studied the structural changes at the charge order transition T-CO = 176 K in the mixed-valence quadruple perovskite (NaMn3)Mn4O12. Below T-CO we find satellite peaks indicating a commensurate structural modulation with the same propagation vector q = ( 1/2,0,-1/2) of the CE magnetic structure that orders at low temperatures, similarly to the case of simple perovskites such as La0.5Ca0.5MnO3. In the present case, the modulated structure, together with the observation of a large entropy change at T-CO, gives evidence of a rare case of full Mn3+/Mn4+ charge and orbital order, consistent with the Goodenough-Kanamori model. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
000344915100001 |
Publication Date |
2014-11-10 |
| 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 |
11 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 3.836; 2014 IF: 3.736 |
| Call Number |
UA @ lucian @ c:irua:122097 |
Serial |
406 |
| Permanent link to this record |
| |
|
| |
| Author |
Bekaert, J.; Saniz, R.; Partoens, B.; Lamoen, D. |
| Title |
First-principles study of carbon impurities in CuInSe2 and CuGaSe2, present in non-vacuum synthesis methods |
Type |
A1 Journal article |
| Year |
2015 |
Publication |
Journal of applied physics |
Abbreviated Journal |
J Appl Phys |
| Volume |
117 |
Issue |
117 |
Pages |
015104 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT) |
| Abstract |
A first-principles study of the structural and electronic properties of carbon impurities in CuInSe2 and CuGaSe2 is presented. Carbon is present in organic molecules in the precursor solutions used in non-vacuum growth methods for CuInSe2 and CuGaSe2 based photovoltaic cells. These growth methods make more efficient use of material, time, and energy than traditional vacuum methods. The formation energies of several carbon impurities are calculated using the hybrid HSE06 functional. C Cu acts as a shallow donor, CIn and interstitial C yield deep donor levels in CuInSe2, while in CuGaSe2 CGa and interstitial C act as deep amphoteric defects. So, these defects reduce the majority carrier (hole) concentration in p-type CuInSe2 and CuGaSe2 by compensating the acceptor levels. The deep defects are likely to act as recombination centers for the photogenerated charge carriers and are thus detrimental for the performance of the photovoltaic cells. On the other hand, the formation energies of the carbon impurities are high, even under C-rich growth conditions. Thus, few C impurities will form in CuInSe2 and CuGaSe2 in thermodynamic equilibrium. However, the deposition of the precursor solution in non-vacuum growth methods presents conditions far from thermodynamic equilibrium. In this case, our calculations show that C impurities formed in non-equilibrium tend to segregate from CuInSe2 and CuGaSe2 by approaching thermodynamic equilibrium, e.g., via thorough annealing. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
|
| Language |
|
Wos |
000347958600055 |
Publication Date |
2015-01-07 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0021-8979;1089-7550; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
2.068 |
Times cited |
6 |
Open Access |
|
| Notes |
FWO G015013; Hercules |
Approved |
Most recent IF: 2.068; 2015 IF: 2.183 |
| Call Number |
c:irua:122064 |
Serial |
1215 |
| Permanent link to this record |
| |
|
| |
| Author |
Amin-Ahmadi, B.; Aashuri, H. |
| Title |
Globular structure of M2 high speed steel by thermomechanical treatment in the semisolid state |
Type |
A1 Journal article |
| Year |
2010 |
Publication |
Steel research international |
Abbreviated Journal |
Steel Res Int |
| Volume |
81 |
Issue |
5 |
Pages |
381-386 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
The globular structure of M2 high speed steel in the rolled – annealed and as cast conditions was investigated in the semisolid state. Metallographic observations resulted in globular austenite particles that were surrounded by a liquid phase. Dissolution of various carbides in the austenite phase at semisolid temperatures led to grain boundary liquation and formation of near-spherical solid grains in a liquid matrix. Therefore, at the semisolid state, the solid particles were free from carbides. MC- type and M6C- type eutectic carbides re- precipitated at the grain boundaries during cooling of the samples from the semisolid temperature. The variation of shape factor versus holding time and holding temperature was examined. A transition value for shape factor changes in high speed steels was achieved. The growth rate constants of the Ostwald ripening and the coalescence mechanisms were calculated by using the experimentally determined rate constant. It was observed that less liquid droplets were enclosed inside the solid particles compared with non-ferrous alloys. Besides, it has been shown that at high solid fraction, the Ostwald ripening mechanism plays a prominent role in the coarsening phenomenon in comparison with the coalescence mechanism. Grains can rotate and arrange low misorientation with each other at high liquid contents, therefore low energetic grain boundaries form between these grains. These grain boundaries play an important role in the coalescence mechanism. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
Verlag Stahleisen |
Place of Publication |
Düsseldorf |
Editor |
|
| Language |
|
Wos |
000278292200007 |
Publication Date |
2010-05-18 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
1611-3683;1869-344X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
1.235 |
Times cited |
1 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 1.235; 2010 IF: 0.455 |
| Call Number |
UA @ lucian @ c:irua:122047 |
Serial |
1347 |
| Permanent link to this record |
