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Records |
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Author |
van den Broek, B.; Houssa, M.; Pourtois, G.; Afanas'ev, V.V.; Stesmans, A. |
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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) |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Berlin |
Editor |
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Language |
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Wos |
000345274300009 |
Publication Date |
2014-09-25 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
|
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ISSN |
1862-6254; |
ISBN |
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Additional Links  |
UA library record; WoS full record; WoS citing articles |
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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. |
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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 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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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. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000344915800009 |
Publication Date |
2014-11-10 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
|
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ISSN |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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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 |
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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. |
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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 |
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Volume |
26 |
Issue |
21 |
Pages |
6303-6310 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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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. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000344905600029 |
Publication Date |
2014-10-07 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
|
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Series Volume |
|
Series Issue |
|
Edition |
|
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ISSN |
0897-4756;1520-5002; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
9.466 |
Times cited |
16 |
Open Access |
|
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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 |
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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. |
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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 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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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. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
American Institute of Physics |
Place of Publication |
Woodbury (NY) |
Editor |
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Language |
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Wos |
000345251500004 |
Publication Date |
2014-12-04 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
|
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ISSN |
1539-3755;1550-2376; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.366 |
Times cited |
8 |
Open Access |
|
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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 |
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Call Number |
UA @ lucian @ c:irua:122134 |
Serial |
700 |
| Permanent link to this record |
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Author |
Lobato Hoyos, I.P.; van Dyck, D. |
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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 |
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Volume |
70 |
Issue |
6 |
Pages |
636-649 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Vision lab |
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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. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Copenhagen |
Editor |
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Language |
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Wos |
000344599300012 |
Publication Date |
2014-10-16 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
|
| |
ISSN |
2053-2733; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
| |
Impact Factor |
5.725 |
Times cited |
19 |
Open Access |
|
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Notes |
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Approved |
Most recent IF: 5.725; 2014 IF: NA |
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Call Number |
UA @ lucian @ c:irua:122103 |
Serial |
93 |
| Permanent link to this record |
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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. |
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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 |
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Volume |
86 |
Issue |
21 |
Pages |
10804-10811 |
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Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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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. |
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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 |
000344510200043 |
Publication Date |
2014-10-10 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0003-2700; 5206-882x |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
6.32 |
Times cited |
25 |
Open Access |
|
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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 |
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Call Number |
UA @ admin @ c:irua:122100 |
Serial |
5570 |
| Permanent link to this record |
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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.; |
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Title |
Commensurate structural modulation in the charge- and orbitally ordered phase of the quadruple perovskite (NaMn3)Mn4O12 |
Type |
A1 Journal article |
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Year |
2014 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
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Volume |
90 |
Issue |
18 |
Pages |
180101 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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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. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000344915100001 |
Publication Date |
2014-11-10 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1098-0121;1550-235X; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
| |
Impact Factor |
3.836 |
Times cited |
11 |
Open Access |
|
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Notes |
|
Approved |
Most recent IF: 3.836; 2014 IF: 3.736 |
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Call Number |
UA @ lucian @ c:irua:122097 |
Serial |
406 |
| Permanent link to this record |
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Author |
Van Eynde, E.; Lenaerts, B.; Tytgat, T.; Verbruggen, S.W.; Hauchecorne, B.; Blust, R.; Lenaerts, S. |
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Title |
Effect of pretreatment and temperature on the properties of Pinnularia biosilica frustules |
Type |
A1 Journal article |
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Year |
2014 |
Publication |
RSC advances |
Abbreviated Journal |
Rsc Adv |
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Volume |
4 |
Issue |
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Pages |
56200-56206 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
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Abstract |
Diatoms are unicellular microalgae that self-assemble an intricate porous silica cell wall, called frustule. Diatom frustules possess a unique combination of physical and chemical properties (chemical inertness, high mechanical strength, large surface area, low density, good porosity and highly ordered features on the nano-to-micro scale) making diatom frustules suited for many nanotechnological applications. For most proposed applications the organic material covering the frustules needs to be removed. In this paper we investigate the effect of different frustule cleaning methods (drying, autoclavation, SDS/EDTA treatment, H2O2 treatment and HNO3 treatment) and subsequent heat treatment at different temperatures (105 °C, 350 °C, 550 °C and 750 °C) on the material characteristics of the diatom Pinnularia sp. Material characteristics under study are morphology, surface area, pore size, elemental composition and organic content. The cleaned Pinnularia frustules are subsequently investigated as adsorbents to remove methylene blue (MB) from aqueous solution. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000344997800060 |
Publication Date |
2014-10-23 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
2046-2069 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
| |
Impact Factor |
3.108 |
Times cited |
10 |
Open Access |
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Notes |
; ; |
Approved |
Most recent IF: 3.108; 2014 IF: 3.840 |
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Call Number |
UA @ admin @ c:irua:121377 |
Serial |
5945 |
| Permanent link to this record |
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Author |
Buffière, M.; Zaghi, A.E.; Lenaers, N.; Batuk, M.; Khelifi, S.; Drijkoningen, J.; Hamon, J.; Stesmans, A.; Kepa, J.; Afanas’ev, V.V.; Hadermann, J.; D’Haen, J.; Manca, J.; Vleugels, J.; Meuris, M.; Poortmans, J.; |
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Title |
Effect of binder content in Cu-In-Se precursor ink on the physical and electrical properties of printed CuInSe2 solar cells |
Type |
A1 Journal article |
| |
Year |
2014 |
Publication |
The journal of physical chemistry: C : nanomaterials and interfaces |
Abbreviated Journal |
J Phys Chem C |
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Volume |
118 |
Issue |
47 |
Pages |
27201-27209 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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Abstract |
Printed chalcopyrite thin films have attracted considerable attention in recent years due to their potential in the high-throughput production of photovoltaic devices. To improve the homogeneity of printed CuInSe2 (CISe) layers, chemical additives such as binder can be added to the precursor ink. In this contribution, we investigate the influence of the dicyandiamide (DCDA) content, used as a binder in the precursor ink, on the physical and electrical properties of printed CISe solar cells. It is shown that the use of the binder leads to a dense absorber, composed of large CISe grains close to the surface, while the bulk of the layer consists of CISe crystallites embedded in a CuxS particle based matrix, resulting from the limited sintering of the precursor in this region. The expected additional carbon contamination of the CISe layer due to the addition of the binder appears to be limited, and the optical properties of the CISe layer are similar to the reference sample without additive. The electrical characterization of the corresponding CISe/CdS solar cells shows a degradation of the efficiency of the devices, due to a modification in the predominant recombination mechanisms and a limitation of the space charge region width when using the binder; both effects could be explained by the inhomogeneity of the bulk of the CISe absorber and high defect density at the CISe/CuxS-based matrix interface. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Washington, D.C. |
Editor |
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Language |
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Wos |
000345722400003 |
Publication Date |
2014-11-06 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1932-7447;1932-7455; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
| |
Impact Factor |
4.536 |
Times cited |
4 |
Open Access |
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Notes |
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Approved |
Most recent IF: 4.536; 2014 IF: 4.772 |
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Call Number |
UA @ lucian @ c:irua:121332 |
Serial |
801 |
| Permanent link to this record |
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Author |
Zaikina, J.V.; Batuk, M.; Abakumov, A.M.; Navrotsky, A.; Kauziarich, S.M. |
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Title |
Facile synthesis of Ba1-xKxFe2As2 superconductors via hydride route |
Type |
A1 Journal article |
| |
Year |
2014 |
Publication |
Journal of the American Chemical Society |
Abbreviated Journal |
J Am Chem Soc |
| |
Volume |
136 |
Issue |
48 |
Pages |
16932-16939 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| |
Abstract |
We have developed a fast, easy, and scalable synthesis method for Ba1xKxFe2As2 (0 ≤ x ≤ 1) superconductors using hydrides BaH2 and KH as a source of barium and potassium metals. Synthesis from hydrides provides better mixing and easier handling of the starting materials, consequently leading to faster reactions and/or lower synthesis temperatures. The reducing atmosphere provided by the evolved hydrogen facilitates preparation of oxygen-free powders. By a combination of methods we have shown that Ba1xKxFe2As2 obtained via hydride route has the same characteristics as when it is prepared by traditional solid-state synthesis. Refinement from synchrotron powder X-ray diffraction data confirms a linear dependence of unit cell parameters upon K content as well as the tetragonal to orthorhombic transition at low temperatures for compositions with x < 0.2. Magnetic measurements revealed dome-like dependence of superconducting transition temperature Tc upon K content with a maximum of 38 K for x close to 0.4. Electron diffraction and high-resolution high-angle annular dark-field scanning transmission electron microscopy indicates an absence of Ba/K ordering, while local inhomogeneity in the Ba/K distribution takes place at a scale of several angstroms along [110] crystallographic direction. |
| |
Address |
|
| |
Corporate Author |
|
Thesis |
|
| |
Publisher |
|
Place of Publication |
Washington, D.C. |
Editor |
|
| |
Language |
|
Wos |
000345883900040 |
Publication Date |
2014-11-11 |
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
| |
ISSN |
0002-7863;1520-5126; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| |
Impact Factor |
13.858 |
Times cited |
13 |
Open Access |
|
| |
Notes |
|
Approved |
Most recent IF: 13.858; 2014 IF: 12.113 |
| |
Call Number |
UA @ lucian @ c:irua:121331 |
Serial |
1169 |
| Permanent link to this record |
| |
|
| |
|
Author |
E. Zaghi, A.; Buffière, M.; Koo, J.; Brammertz, G.; Batuk, M.; Verbist, C.; Hadermann, J.; Kim, W.K.; Meuris, M.; Poortmans, J.; Vleugels, J.; |
| |
Title |
Effect of selenium content of CuInSex alloy nanopowder precursors on recrystallization of printed CuInSe2 absorber layers during selenization heat treatment |
Type |
A1 Journal article |
| |
Year |
2014 |
Publication |
Thin solid films : an international journal on the science and technology of thin and thick films |
Abbreviated Journal |
Thin Solid Films |
| |
Volume |
|
Issue |
|
Pages |
1-7 |
| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| |
Abstract |
Polycrystalline CuInSe2 semiconductors are efficient light absorber materials for thin film solar cell technology, whereas printing is one of the promising low cost and non-vacuum approaches for the fabrication of thin film solar cells. The printed precursors are transformed into a dense polycrystalline CuInSe2 semiconductor film via thermal treatment in ambient selenium atmosphere (selenization). In this study, the effect of the selenium content in high purity mechanically synthesized CuInSex (x = 2, 1.5, 1 or 0.5) alloy precursors on the recrystallization of the CuInSe2 phase during the selenization process was investigated. The nanostructure and phase variation of CuInSex nanopowders were investigated by different characterization techniques. The recrystallization process of the 12 μm thick CuInSex coatings into the CuInSe2 phase during selenization in selenium vapor was investigated via in-situ high temperature X-ray diffraction. The CuInSex precursors with lower selenium content showed a more pronounced phase conversion into CuInSe2 compared to the higher selenium content CuInSex precursors. Moreover, the CuInSex (x = 0.5 and 1) precursor resulted in a denser polycrystalline CuInSe2 semiconductor film with larger crystals. This could be attributed to a more intensive atomic interdiffusion within the CuInSex precursor system compared to a CuInSe2 phase precursor, and the formation of intermediate CuSe and CuSe2 fluxing phases during selenization. |
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Address |
|
| |
Corporate Author |
|
Thesis |
|
| |
Publisher |
|
Place of Publication |
Lausanne |
Editor |
|
| |
Language |
|
Wos |
000352225900004 |
Publication Date |
2014-10-13 |
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
| |
ISSN |
0040-6090; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| |
Impact Factor |
1.879 |
Times cited |
7 |
Open Access |
|
| |
Notes |
|
Approved |
Most recent IF: 1.879; 2014 IF: 1.759 |
| |
Call Number |
c:irua:121330 |
Serial |
834 |
| Permanent link to this record |
| |
|
| |
|
Author |
Buffière, M.; Brammertz, G.; Batuk, M.; Verbist, C.; Mangin, D.; Koble, C.; Hadermann, J.; Meuris, M.; Poortmans, J. |
| |
Title |
Microstructural analysis of 9.7% efficient Cu2ZnSnSe4 thin film solar cells |
Type |
A1 Journal article |
| |
Year |
2014 |
Publication |
Applied physics letters |
Abbreviated Journal |
Appl Phys Lett |
| |
Volume |
105 |
Issue |
18 |
Pages |
183903 |
| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| |
Abstract |
This work presents a detailed analysis of the microstructure and the composition of our record Cu 2ZnSnSe4 (CZTSe)-CdS-ZnO solar cell with a total area efficiency of 9.7%. The average composition of the CZTSe crystallites is Cu 1.94 Zn 1.12Sn0.95Se3.99. Large crystals of ZnSe secondary phase (up to 400 nm diameter) are observed at the voids between the absorber and the back contact, while smaller ZnSe domains are segregated at the grain boundaries and close to the surface of the CZTSe grains. An underlying layer and some particles of Cu xSe are observed at the Mo-MoSe2-Cu2ZnSnSe4 interface. The free surface of the voids at the back interface is covered by an amorphous layer containing Cu, S, O, and C, while the presence of Cd, Na, and K is also observed in this region. |
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Address |
|
| |
Corporate Author |
|
Thesis |
|
| |
Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
|
| |
Language |
|
Wos |
000345000000086 |
Publication Date |
2014-11-08 |
| |
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 |
17 |
Open Access |
|
| |
Notes |
|
Approved |
Most recent IF: 3.411; 2014 IF: 3.302 |
| |
Call Number |
UA @ lucian @ c:irua:121329 |
Serial |
2038 |
| Permanent link to this record |
| |
|
| |
|
Author |
Bogaerts, A.; Yusupov, M.; Van der Paal, J.; Verlackt, C.C.W.; Neyts, E.C. |
| |
Title |
Reactive molecular dynamics simulations for a better insight in plasma medicine |
Type |
A1 Journal article |
| |
Year |
2014 |
Publication |
Plasma processes and polymers |
Abbreviated Journal |
Plasma Process Polym |
| |
Volume |
11 |
Issue |
12 |
Pages |
1156-1168 |
| |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| |
Abstract |
In this review paper, we present several examples of reactive molecular dynamics simulations, which contribute to a better understanding of the underlying mechanisms in plasma medicine on the atomic scale. This includes the interaction of important reactive oxygen plasma species with the outer cell wall of both gram-positive and gram-negative bacteria, and with lipids present in human skin. Moreover, as most biomolecules are surrounded by a liquid biofilm, the behavior of these plasma species in a liquid (water) layer is presented as well. Finally, a perspective for future atomic scale modeling studies is given, in the field of plasma medicine in general, and for cancer treatment in particular. |
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Address |
|
| |
Corporate Author |
|
Thesis |
|
| |
Publisher |
|
Place of Publication |
Weinheim |
Editor |
|
| |
Language |
|
Wos |
000346034700007 |
Publication Date |
2014-09-29 |
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
| |
ISSN |
1612-8850; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| |
Impact Factor |
2.846 |
Times cited |
22 |
Open Access |
|
| |
Notes |
|
Approved |
Most recent IF: 2.846; 2014 IF: 2.453 |
| |
Call Number |
UA @ lucian @ c:irua:121269 |
Serial |
2822 |
| Permanent link to this record |
| |
|
| |
|
Author |
Carraro, G.; Gasparotto, A.; Maccato, C.; Bontempi, E.; Lebedev, O.I.; Sada, C.; Turner, S.; Van Tendeloo, G.; Barreca, D. |
| |
Title |
Rational synthesis of F-doped iron oxides on Al2O3(0001) single crystals |
Type |
A1 Journal article |
| |
Year |
2014 |
Publication |
RSC advances |
Abbreviated Journal |
Rsc Adv |
| |
Volume |
4 |
Issue |
94 |
Pages |
52140-52146 |
| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| |
Abstract |
A plasma enhanced-chemical vapor deposition (PE-CVD) route to Fe2O3-based materials on Al2O3(0001) single crystals at moderate growth temperatures (200-400 degrees C) is reported. The use of the fluorinated Fe(hfa)(2)TMEDA (hfa = 1,1,1,5,5,5-hexafluoro-2,4-pentanedionate; TMEDA = N,N,N',N'-tetramethylethylenediamine) molecular precursor in Ar/O-2 plasmas enabled an in situ F-doping of iron oxide matrices, with a fluorine content tunable as a function of the adopted preparative conditions. Variations of the thermal energy supply enabled control of the system phase composition, resulting in gamma-Fe2O3 at 200 degrees C and alpha-Fe2O3 nanostructures at higher deposition temperatures. Notably, at 400 degrees C the formation of highly oriented alpha-Fe2O3 nanocolumns characterized by an epitaxial relation with the Al2O3(0001) substrate was observed. Beside fluorine content, phase composition and nano-organization, even the system optical properties and, in particular, energy gap values, could be tailored by proper modifications of processing parameters. |
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Address |
|
| |
Corporate Author |
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Thesis |
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
| |
Language |
|
Wos |
000344389000041 |
Publication Date |
2014-10-02 |
| |
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 |
4 |
Open Access |
|
| |
Notes |
|
Approved |
Most recent IF: 3.108; 2014 IF: 3.840 |
| |
Call Number |
UA @ lucian @ c:irua:121239 |
Serial |
2813 |
| Permanent link to this record |
| |
|
| |
|
Author |
Carraro, G.; Gasparotto, A.; Maccato, C.; Bontempi, E.; Lebedev, O.I.; Sada, C.; Turner, S.; Van Tendeloo, G.; Barreca, D. |
| |
Title |
Rational synthesis of F-doped iron oxides on Al2O3(0001) single crystals |
Type |
A1 Journal article |
| |
Year |
2014 |
Publication |
Rsc Advances |
Abbreviated Journal |
Rsc Adv |
| |
Volume |
|
Issue |
94 |
Pages |
52140-52146 |
| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| |
Abstract |
A plasma enhanced-chemical vapor deposition (PE-CVD) route to Fe2O3-based materials on Al2O3(0001) single crystals at moderate growth temperatures (200400 °C) is reported. The use of the fluorinated Fe(hfa)2TMEDA (hfa = 1,1,1,5,5,5-hexafluoro-2,4-pentanedionate; TMEDA = N,N,N′,N′-tetramethylethylenediamine) molecular precursor in Ar/O2 plasmas enabled an in situ F-doping of iron oxide matrices, with a fluorine content tunable as a function of the adopted preparative conditions. Variations of the thermal energy supply enabled control of the system phase composition, resulting in γ-Fe2O3 at 200 °C and α-Fe2O3 nanostructures at higher deposition temperatures. Notably, at 400 °C the formation of highly oriented α-Fe2O3 nanocolumns characterized by an epitaxial relation with the Al2O3(0001) substrate was observed. Beside fluorine content, phase composition and nano-organization, even the system optical properties and, in particular, energy gap values, could be tailored by proper modifications of processing parameters. |
| |
Address |
|
| |
Corporate Author |
|
Thesis |
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
| |
Language |
|
Wos |
000344389000041 |
Publication Date |
2014-10-02 |
| |
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 |
4 |
Open Access |
|
| |
Notes |
|
Approved |
Most recent IF: 3.108; 2014 IF: 3.840 |
| |
Call Number |
UA @ lucian @ c:irua:119529 |
Serial |
2814 |
| Permanent link to this record |
| |
|
| |
|
Author |
Berdiyorov, G.; Harrabi, K.; Oktasendra, F.; Gasmi, K.; Mansour, A.I.; Maneval, J.P.; Peeters, F.M. |
| |
Title |
Dynamics of current-driven phase-slip centers in superconducting strips |
Type |
A1 Journal article |
| |
Year |
2014 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
| |
Volume |
90 |
Issue |
5 |
Pages |
054506 |
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| |
Abstract |
Phase-slip centers/lines and hot spots are the main mechanisms for dissipation in current-carrying superconducting thin films. The pulsed-current method has recently been shown to be an effective tool in studying the dynamics of phase-slip centers and their evolution to hot spots. We use the time-dependent Ginzburg-Landau theory in the study of the dynamics of the superconducting condensate in superconducting strips under external current and zero external magnetic field. We show that both the flux-flow state (i.e., slow-moving vortices) and the phase-slip line state (i.e., fast-moving vortices) are dynamically stable dissipative units with temperature smaller than the critical one, whereas hot spots, which are localized normal regions where the local temperature exceeds the critical value, expand in time, resulting ultimately in a complete destruction of the condensate. The response time of the system to abrupt switching on of the overcritical current decreases with increasing both the value of the current (at all temperatures) and temperature (for a given value of the applied current). Our results are in good qualitative agreement with experiments we have conducted on Nb thin strips. |
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Address |
|
| |
Corporate Author |
|
Thesis |
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
| |
Language |
|
Wos |
000344656700003 |
Publication Date |
2014-08-08 |
| |
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 |
42 |
Open Access |
|
| |
Notes |
; This work was supported by EU Marie Curie Project No. 253057, the Flemish Science Foundation (FWO-Vl), and King Fahd University of Petroleum and Minerals, Saudi Arabia, under the IN131034 DSR project. ; |
Approved |
Most recent IF: 3.836; 2014 IF: 3.736 |
| |
Call Number |
UA @ lucian @ c:irua:121229 |
Serial |
775 |
| Permanent link to this record |
| |
|
| |
|
Author |
Goris, B.; Turner, S.; Bals, S.; Van Tendeloo, G. |
| |
Title |
Three-dimensional valency mapping in ceria nanocrystals |
Type |
A1 Journal article |
| |
Year |
2014 |
Publication |
ACS nano |
Abbreviated Journal |
Acs Nano |
| |
Volume |
8 |
Issue |
10 |
Pages |
10878-10884 |
| |
Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
| |
Abstract |
Using electron tomography combined with electron energy loss spectroscopy (EELS), we are able to map the valency of the Ce ions in CeO2-x nanocrystals in three dimensions. Our results show a clear facet-dependent reduction shell at the surface of ceria nanoparticles; {111} surface facets show a low surface reduction, whereas at {001} surface facets, the cerium ions are more likely to be reduced over a larger surface shell. Our generic tomographic technique allows a full 3D data cube to be reconstructed, containing an EELS spectrum in each voxel. This possibility enables a three-dimensional investigation of a plethora of material-specific physical properties such as valency, chemical composition, oxygen coordination, or bond lengths, triggering the synthesis of nanomaterials with improved properties. |
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Address |
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| |
Corporate Author |
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Thesis |
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| |
Publisher |
|
Place of Publication |
|
Editor |
|
| |
Language |
|
Wos |
000343952600126 |
Publication Date |
2014-10-06 |
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
| |
ISSN |
1936-0851;1936-086X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| |
Impact Factor |
13.942 |
Times cited |
85 |
Open Access |
OpenAccess |
| |
Notes |
335078 Colouratom; 246791 Countatoms; Fwo; 312483 Esteem2; esteem2jra4; ECASSara; (ROMEO:white; preprint:; postprint:restricted 12 months embargo; pdfversion:cannot); |
Approved |
Most recent IF: 13.942; 2014 IF: 12.881 |
| |
Call Number |
UA @ lucian @ c:irua:121219 |
Serial |
3656 |
| Permanent link to this record |
| |
|
| |
|
Author |
Damm, H.; Adriaensens, P.; De Dobbelaere, C.; Capon, B.; Elen, K.; Drijkoningen, J.; Conings, B.; Manca, J.V.; D’Haen, J.; Detavernier, C.; Magusin, P.C.M.M.; Hadermann, J.; Hardy, A.; Van Bael, M.K.; |
| |
Title |
Factors Influencing the Conductivity of Aqueous Sol(ution)-Gel-Processed Al-Doped ZnO Films |
Type |
A1 Journal article |
| |
Year |
2014 |
Publication |
Chemistry of materials |
Abbreviated Journal |
Chem Mater |
| |
Volume |
26 |
Issue |
20 |
Pages |
5839-5851 |
| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
|
| |
Address |
|
| |
Corporate Author |
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Thesis |
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
| |
Language |
|
Wos |
000343950300004 |
Publication Date |
2014-10-06 |
| |
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 |
24 |
Open Access |
|
| |
Notes |
|
Approved |
Most recent IF: 9.466; 2014 IF: 8.354 |
| |
Call Number |
UA @ lucian @ c:irua:121211 |
Serial |
1170 |
| Permanent link to this record |
| |
|
| |
|
Author |
Van Grieken, R. |
| |
Title |
2014 Award for best referee of X-Ray Spectrometry |
Type |
Editorial |
| |
Year |
2014 |
Publication |
X-ray spectrometry |
Abbreviated Journal |
|
| |
Volume |
43 |
Issue |
6 |
Pages |
311-311 |
| |
Keywords |
Editorial; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
| |
Abstract |
|
| |
Address |
|
| |
Corporate Author |
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Thesis |
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
| |
Language |
|
Wos |
000344178700001 |
Publication Date |
2014-09-27 |
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
| |
ISSN |
0049-8246 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
| |
Impact Factor |
|
Times cited |
|
Open Access |
|
| |
Notes |
|
Approved |
no |
| |
Call Number |
UA @ admin @ c:irua:121210 |
Serial |
7385 |
| Permanent link to this record |
| |
|
| |
|
Author |
Xu, P.; Qi, D.; Schoelz, J.K.; Thompson, J.; Thibado, P.M.; Wheeler, V.D.; Nyakiti, L.O.; Myers-Ward, R.L.; Eddy, C.R.; Gaskill, D.K.; Neek-Amal, M.; Peeters, F.M.; |
| |
Title |
Multilayer graphene, Moire patterns, grain boundaries and defects identified by scanning tunneling microscopy on the m-plane, non-polar surface of SiC |
Type |
A1 Journal article |
| |
Year |
2014 |
Publication |
Carbon |
Abbreviated Journal |
Carbon |
| |
Volume |
80 |
Issue |
|
Pages |
75-81 |
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| |
Abstract |
Epitaxial graphene is grown on a non-polar n(+) 6H-SiC m-plane substrate and studied using atomic scale scanning tunneling microscopy. Multilayer graphene is found throughout the surface and exhibits rotational disorder. Moire patterns of different spatial periodicities are found, and we found that as the wavelength increases, so does the amplitude of the modulations. This relationship reveals information about the interplay between the energy required to bend graphene and the interaction energy, i.e. van der Waals energy, with the graphene layer below. Our experiments are supported by theoretical calculations which predict that the membrane topographical amplitude scales with the Moire pattern wavelength, L as L-1 + alpha L-2. (C) 2014 Elsevier Ltd. All rights reserved. |
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Address |
|
| |
Corporate Author |
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Thesis |
|
| |
Publisher |
|
Place of Publication |
Oxford |
Editor |
|
| |
Language |
|
Wos |
000344132400009 |
Publication Date |
2014-08-19 |
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
| |
ISSN |
0008-6223; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| |
Impact Factor |
6.337 |
Times cited |
14 |
Open Access |
|
| |
Notes |
; P.X. and P.M.T. gratefully acknowledge the financial support of ONR under grant N00014-10-1-0181 and NSF under grant DMR-0855358. L.O.N. acknowledges the support of American Society for Engineering Education and Naval Research Laboratory Postdoctoral Fellow Program. Work at the U.S. Naval Research Laboratory is supported by the Office of Naval Research. This work was supported by the Flemish Science Foundation (FWO-Vl), the Methusalem Foundation of the Flemish Government, and the EUROgraphene project CONGRAN. M.N.-A was supported by the EU-Marie Curie IIF postdoc Fellowship 299855. ; |
Approved |
Most recent IF: 6.337; 2014 IF: 6.196 |
| |
Call Number |
UA @ lucian @ c:irua:121194 |
Serial |
2221 |
| Permanent link to this record |
| |
|
| |
|
Author |
Berdiyorov, G.R.; Milošević, M.V.; Peeters, F.M.; van Duin, A.T. |
| |
Title |
Stability of CH3 molecules trapped on hydrogenated sites of graphene |
Type |
A1 Journal article |
| |
Year |
2014 |
Publication |
Physica: B : condensed matter |
Abbreviated Journal |
Physica B |
| |
Volume |
455 |
Issue |
|
Pages |
60-65 |
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| |
Abstract |
We study the effect of a hydrogen atom on the thermal stability of a trapped CH3 molecule on graphene using ReaxFF molecular dynamics simulations. Due to the hydrogen-molecule interaction, enhanced pinning of the CH3 molecule is observed when it is positioned adjacent to the graphene site with the hydrogen atom. We discuss the formation process of such a stable configuration, which originates from different adhesion and migration energies of the hydrogen atom and the CH3 molecule. We also studied the effect of the CH3-H configuration on the electronic transport properties of graphene nanoribbons using first principles density-functional calculations. We found that the formation of the CH3-H structure results in extra features in the transmission spectrum due to the formation of strongly localized states, which are absent when the CH3 molecule is trapped on pristine graphene. Our findings will be useful in exploiting gas sensing properties of graphene, especially for selective detection of individual molecules. (C) 2014 Elsevier B.V. All rights reserved. |
| |
Address |
|
| |
Corporate Author |
|
Thesis |
|
| |
Publisher |
|
Place of Publication |
Amsterdam |
Editor |
|
| |
Language |
|
Wos |
000344239200016 |
Publication Date |
2014-07-30 |
| |
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 |
1.386 |
Times cited |
5 |
Open Access |
|
| |
Notes |
; This work was supported by the European Science Foundation (ESF) under the EUROCORES Program Euro-GRAPHENE within the project CONGRAN and the Flemish Science Foundation (FWO-VI). A. van Duin acknowledges funding from the Air Force Office of Scientific Research (AFOSR) under Grant no. FA9550-10-1-0563 G. R. Berdiyorov acknowledges support from King Fahd University of Petroleum and Minerals, Saudi Arabia, under the RG1329-1 and RG1329-2 DSR projects. ; |
Approved |
Most recent IF: 1.386; 2014 IF: 1.319 |
| |
Call Number |
UA @ lucian @ c:irua:121193 |
Serial |
3124 |
| Permanent link to this record |
| |
|
| |
|
Author |
Shanenko, A.A.; Vagov, A.; Peeters, F.M.; Aguiar, J.A. |
| |
Title |
Nanofilms as effectively multiband superconductors: Intraband-pairing approximation and Ginzburg-Landau theory |
Type |
A1 Journal article |
| |
Year |
2014 |
Publication |
Physica: B : condensed matter |
Abbreviated Journal |
Physica B |
| |
Volume |
455 |
Issue |
|
Pages |
3-5 |
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| |
Abstract |
It is well-known that the Ginzburg-Landau (GL) theory is a reliable and powerful theoretical tool to investigate the magnetic response of a superconducting state. However, in its standard form, this approach is not applicable to atomically uniform nano-thin superconducting films which are effective multiband superconductors. Here we discuss a relevant generalization of the GL theory, focusing on the underlying intraband-pairing approximation. (C) 2014 Elsevier B.V. All rights reserved. |
| |
Address |
|
| |
Corporate Author |
|
Thesis |
|
| |
Publisher |
|
Place of Publication |
Amsterdam |
Editor |
|
| |
Language |
|
Wos |
000344239200002 |
Publication Date |
2014-07-03 |
| |
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 |
1.386 |
Times cited |
1 |
Open Access |
|
| |
Notes |
; This work was supported by the “Odysseus” Program of the Flemish Government, the Flemish Science Foundation (FWO-VI), and the Methusalem program. A.A.S. acknowledges the support of the Brazilian agencies CNPq and FACEPE (APQ-0589-1.05/08). ; |
Approved |
Most recent IF: 1.386; 2014 IF: 1.319 |
| |
Call Number |
UA @ lucian @ c:irua:121192 |
Serial |
2256 |
| Permanent link to this record |
| |
|
| |
|
Author |
Aguiar, J.A.; Roa-Rojas, J.; Parra Vargas, C.A.; Landinez Tellez, D.A.; Corredor Bohorquez, L.T.; Shanenko, A.; Jardim, R.F.; Peeters, F. |
| |
Title |
Preface |
Type |
Editorial |
| |
Year |
2014 |
Publication |
Physica: B : condensed matter |
Abbreviated Journal |
Physica B |
| |
Volume |
455 |
Issue |
|
Pages |
1-2 |
| |
Keywords |
Editorial; Condensed Matter Theory (CMT) |
| |
Abstract |
|
| |
Address |
|
| |
Corporate Author |
|
Thesis |
|
| |
Publisher |
Elsevier science bv |
Place of Publication |
Amsterdam |
Editor |
|
| |
Language |
|
Wos |
000344239200001&DestLinkType=CitingArticles&DestApp=ALL_WOS&UsrCustomerID=ef845e08c439e550330acc77c7 |
Publication Date |
2014-05-15 |
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
| |
ISSN |
0921-4526; |
ISBN |
|
Additional Links |
UA library record; WoS citing articles; WoS full record |
| |
Impact Factor |
1.386 |
Times cited |
|
Open Access |
|
| |
Notes |
; ; |
Approved |
Most recent IF: 1.386; 2014 IF: 1.319 |
| |
Call Number |
UA @ lucian @ c:irua:121191 |
Serial |
2696 |
| Permanent link to this record |
| |
|
| |
|
Author |
Ozaydin, H.D.; Sahin, H.; Senger, R.T.; Peeters, F.M. |
| |
Title |
Formation and diffusion characteristics of Pt clusters on Graphene, 1H-MoS2 and 1T-TaS2 |
Type |
A1 Journal article |
| |
Year |
2014 |
Publication |
Annalen der Physik |
Abbreviated Journal |
Ann Phys-Berlin |
| |
Volume |
526 |
Issue |
9-10 |
Pages |
423-429 |
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| |
Abstract |
Many experiments have revealed that the surfaces of graphene and graphene-like structures can play an active role as a host surface for clusterization of transition metal atoms. Motivated by these observations, we investigate theoretically the adsorption, diffusion and magnetic properties of Pt clusters on three different two-dimensional atomic crystals using first principles density functional theory. We found that monolayers of graphene, molybdenum disulfide (1H-MoS2) and tantalum disulfide (1T-TaS2) provide different nucleation characteristics for Pt cluster formation. At low temperatures, while the bridge site is the most favorable site where the growth of a Pt cluster starts on graphene, top-Mo and top-Ta sites are preferred on 1H-MoS2 and 1T-TaS2, respectively. Ground state structures and magnetic properties of Pt-n clusters (n= 2,3,4) on three different monolayer crystal structures are obtained. We found that the formation of Pt-2 dimer and a triangle-shaped Pt-3 cluster perpendicular to the surface are favored over the three different surfaces. While bent rhombus shaped Pt-4 is formed on graphene, the formation of tetrahedral shaped clusters are more favorable on 1H-MoS2 and 1T-TaS2. Our study of the formation of Pt-n clusters on three different monolayers provides a gateway for further exploration of nanocluster formations on various surfaces. |
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Address |
|
| |
Corporate Author |
|
Thesis |
|
| |
Publisher |
|
Place of Publication |
Leipzig |
Editor |
|
| |
Language |
|
Wos |
000343873700015 |
Publication Date |
2014-06-16 |
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
| |
ISSN |
0003-3804; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| |
Impact Factor |
3.039 |
Times cited |
10 |
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). H.S. is supported by a FWO Pegasus Long Marie Curie Fellowship. ; |
Approved |
Most recent IF: 3.039; 2014 IF: 3.048 |
| |
Call Number |
UA @ lucian @ c:irua:121180 |
Serial |
1247 |
| Permanent link to this record |
| |
|
| |
|
Author |
Berdiyorov, G.R.; Milošević, M.V.; Savel'ev, S.; Kusmartsev, F.; Peeters, F.M. |
| |
Title |
Parametric amplification of vortex-antivortex pair generation in a Josephson junction |
Type |
A1 Journal article |
| |
Year |
2014 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
| |
Volume |
90 |
Issue |
13 |
Pages |
134505 |
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| |
Abstract |
Using advanced three-dimensional simulations, we show that an Abrikosov vortex, trapped inside a cavity perpendicular to an artificial Josephson junction, can serve as a very efficient source for generation of Josephson vortex-antivortex pairs in the presence of the applied electric current. In such a case, the nucleation rate of the pairs can be tuned in a broad range by an out-of-plane ac magnetic field in a broad range of frequencies. This parametrically amplified vortex-antivortex nucleation can be considered as a macroscopic analog of the dynamic Casimir effect, where fluxon pairs mimic the photons and the ac magnetic field plays the role of the oscillating mirrors. The emerging vortex pairs in our system can be detected by the pronounced features in the measured voltage characteristics, or through the emitted electromagnetic radiation, and exhibit resonant dynamics with respect to the frequency of the applied magnetic field. Reported tunability of the Josephson oscillations can be useful for developing high-frequency emission devices. |
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Address |
|
| |
Corporate Author |
|
Thesis |
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
| |
Language |
|
Wos |
000344025100003 |
Publication Date |
2014-10-06 |
| |
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 |
22 |
Open Access |
|
| |
Notes |
; This work was supported by the Flemish Science Foundation (FWO-VI) and the Leverhulme Trust. G.R.B. acknowledges support from a EU-Marie Curie individual grant (Grant No. 253057) ; |
Approved |
Most recent IF: 3.836; 2014 IF: 3.736 |
| |
Call Number |
UA @ lucian @ c:irua:121176 |
Serial |
2553 |
| Permanent link to this record |
| |
|
| |
|
Author |
Mooij, L.; Perkisas, T.; Palsson, G.; Schreuders, H.; Wolff, M.; Hjorvarsson, B.; Bals, S.; Dam, B. |
| |
Title |
The effect of microstructure on the hydrogenation of Mg/Fe thin film multilayers |
Type |
A1 Journal article |
| |
Year |
2014 |
Publication |
International journal of hydrogen energy |
Abbreviated Journal |
Int J Hydrogen Energ |
| |
Volume |
39 |
Issue |
30 |
Pages |
17092-17103 |
| |
Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
| |
Abstract |
Nanoconfined magnesium hydride can be simultaneously protected and thermodynamically destabilized when interfaced with materials such as Ti and Fe. We study the hydrogenation of thin layers of Mg (<14 nm) nanoconfined in one dimension within thin film Fe/Mg/Fe/Pd multilayers by the optical technique Hydrogenography. The hydrogenation of nanosized magnesium layers in Fe/Mg/Fe multilayers surprisingly shows the presence of multiple plateau pressures, whose nature is thickness dependent. In contrast, hydrogen desorption occurs via a single plateau which does not depend on the Mg layer thickness. From structural and morphological analyses with X-ray diffraction/reflectometry and cross-section TEM, we find that the Mg layer roughness is large when deposited on Fe and furthermore contains high-angle grain boundaries (GB's). When grown on Ti, the Mg layer roughness is low and no high-angle GB's are detected. From a Ti/Mg/Fe multilayer, in which the Mg layer is flat and has little or no GB's, we conclude that MgH2 is indeed destabilized by the interface with Fe. In this case, both the ab- and desorption plateau pressures are increased by a factor two compared to the hydrogenation of Mg within Ti/Mg/Ti multilayers. We hypothesize that the GB's in the Fe/Mg/Fe multilayer act as diffusion pathways for Pd, which is known to greatly alter the hydrogenation behavior of Mg when the two materials share an interface. Copyright (C) 2014, Hydrogen Energy Publications, LLC. Published by Elsevier Ltd. All rights reserved. |
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Address |
|
| |
Corporate Author |
|
Thesis |
|
| |
Publisher |
|
Place of Publication |
Oxford |
Editor |
|
| |
Language |
|
Wos |
000343839000031 |
Publication Date |
2014-09-10 |
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
| |
ISSN |
0360-3199; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| |
Impact Factor |
3.582 |
Times cited |
15 |
Open Access |
Not_Open_Access |
| |
Notes |
COST Action MP1103 |
Approved |
Most recent IF: 3.582; 2014 IF: 3.313 |
| |
Call Number |
UA @ lucian @ c:irua:121175 |
Serial |
3575 |
| Permanent link to this record |
| |
|
| |
|
Author |
Pinera, I.; Cruz, C.M.; Leyva, A.; Abreu, Y.; Cabal, A.E.; van Espen, P.; Van Remortel, N. |
| |
Title |
Improved calculation of displacements per atom cross section in solids by gamma and electron irradiation |
Type |
A1 Journal article |
| |
Year |
2014 |
Publication |
Interactions With Materials And Atoms |
Abbreviated Journal |
|
| |
Volume |
339 |
Issue |
|
Pages |
1-7 |
| |
Keywords |
A1 Journal article; Engineering sciences. Technology; Particle Physics Group; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
| |
Abstract |
Several authors had estimated the displacements per atom cross sections under different approximations and models, including most of the main gamma- and electron-material interaction processes. These previous works used numerical approximation formulas which are applicable for limited energy ranges. We proposed the Monte Carlo assisted Classical Method (MCCM), which relates the established theories about atom displacements to the electron and positron secondary fluence distributions calculated from the Monte Carlo simulation. In this study the MCCM procedure is adapted in order to estimate the displacements per atom cross sections for gamma and electron irradiation. The results obtained through this procedure are compared with previous theoretical calculations. An improvement in about 10-90% for the gamma irradiation induced dpa cross section is observed in our results on regard to the previous evaluations for the studied incident energies. On the other hand, the dpa cross section values produced by irradiation with electrons are improved by our calculations in about 5-50% when compared with the theoretical approximations. When thin samples are irradiated with electrons, more precise results are obtained through the MCCM (in about 20-70%) with respect to the previous studies. (C) 2014 Elsevier B.V. All rights reserved. |
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Address |
|
| |
Corporate Author |
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Thesis |
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| |
Publisher |
|
Place of Publication |
|
Editor |
|
| |
Language |
|
Wos |
000343785500001 |
Publication Date |
2014-09-15 |
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
| |
ISSN |
0168-583x |
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:121161 |
Serial |
8069 |
| Permanent link to this record |
| |
|
| |
|
Author |
Nelen, D.; Manshoven, S.; Peeters, J.R.; Vanegas, P.; D'Haese, N.; Vrancken, K. |
| |
Title |
A multidimensional indicator set to assess the benefits of WEEE material recycling |
Type |
A1 Journal article |
| |
Year |
2014 |
Publication |
Journal of cleaner production |
Abbreviated Journal |
|
| |
Volume |
83 |
Issue |
|
Pages |
305-316 |
| |
Keywords |
A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL) |
| |
Abstract |
EU strategies for waste management have long recognized the key role of recycling to move towards sustainable consumption and production. This resulted in a range of regulatory measures, among which the Waste Electrical and Electronic Equipment (WEEE) directive, which sets weight-based targets for recovery, preparation for re-use and recycling. The increasing strategic relevance of the supply of raw materials has, however, spurred a more integrated approach towards resource efficiency. In addition to the prevention of disposal, recycling practices are now also meant to contribute to sustainable materials management by pursuing (i) a higher degree of material cycle closure, (ii) an improved recovery of strategically relevant materials, and (iii) the avoidance of environmental burdens associated with the extraction and refining of primary raw materials. In response to this evolution, this paper reports about the development of an indicator set that allows to quantitatively demonstrate these recycling benefits, hence going further than the weight-based objectives employed in the WEEE directive. The indicators can be calculated for WEEE recycling processes for which information is available on both input and output fractions. It offers a comprehensive framework that aims to support decision making processes on product design, to identify opportunities for the optimization of WEEE End-of-Life scenarios, and to assess the achieved (or expected) results of implemented (or planned) recycling optimization strategies. The paper is illustrated by a case study on the recycling of LCD televisions. (C) 2014 Elsevier Ltd. All rights reserved. |
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Address |
|
| |
Corporate Author |
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Thesis |
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
| |
Language |
|
Wos |
000343781500030 |
Publication Date |
2014-07-11 |
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
| |
ISSN |
0959-6526 |
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:121160 |
Serial |
7393 |
| Permanent link to this record |
| |
|
| |
|
Author |
Charkin, D.O.; Demchyna, R.; Prots, Y.; Borrmann, H.; Burkhardt, U.; Schwarz, U.; Schnelle, W.; Plokhikh, I.V.; Kazakov, S.M.; Abakumov, A.M.; Batuk, D.; Verchenko, V.Y.; Tsirlin, A.A.; Curfs, C.; Grin, Y.; Shevelkov, A.V.; |
| |
Title |
Two New Arsenides, Eu7Cu44As23 and Sr7Cu44As23, With a New Filled Variety of the BaHg11 Structure |
Type |
A1 Journal article |
| |
Year |
2014 |
Publication |
Inorganic chemistry |
Abbreviated Journal |
Inorg Chem |
| |
Volume |
53 |
Issue |
20 |
Pages |
11173-11184 |
| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| |
Abstract |
Two new ternary arsenides, namely, Eu7Cu44As23 and Sr7Cu44As23, were synthesized from elements at 800 degrees C. Their crystal structure represents a new filled version of the BaHg11 motif with cubic voids alternately occupied by Eu(Sr) and As atoms, resulting in a 2 x 2 x 2 superstructure of the aristotype: space group Fm (3) over barm, a = 16.6707(2) angstrom and 16.7467(2) angstrom, respectively. The Eu derivative exhibits ferromagnetic ordering below 17.5 K. In agreement with band structure calculations both compounds are metals, exhibiting relatively low thermopower, but high electrical and low thermal conductivity. |
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Address |
|
| |
Corporate Author |
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Thesis |
|
| |
Publisher |
|
Place of Publication |
Easton, Pa |
Editor |
|
| |
Language |
|
Wos |
000343527700049 |
Publication Date |
2014-09-29 |
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
| |
ISSN |
0020-1669;1520-510X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| |
Impact Factor |
4.857 |
Times cited |
9 |
Open Access |
|
| |
Notes |
|
Approved |
Most recent IF: 4.857; 2014 IF: 4.762 |
| |
Call Number |
UA @ lucian @ c:irua:121141 |
Serial |
3784 |
| Permanent link to this record |
| |
|
| |
|
Author |
Bertels, E.; Bruyninckx, K.; Kurttepeli; Smet, M.; Bals, S.; Goderis, B. |
| |
Title |
Highly Efficient Hyperbranched CNT Surfactants: Influence of Molar Mass and Functionalization |
Type |
A1 Journal article |
| |
Year |
2014 |
Publication |
Langmuir: the ACS journal of surfaces and colloids |
Abbreviated Journal |
Langmuir |
| |
Volume |
30 |
Issue |
41 |
Pages |
12200-12209 |
| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| |
Abstract |
End-group-functionalized hyperbranched polymers were synthesized to act as a carbon nanotube (CNT) surfactant in aqueous solutions. Variation of the percentage of triphenylmethyl (trityl) functionalization and of the molar mass of the hyperbranched polyglycerol (PG) core resulted in the highest measured surfactant efficiency for a 5000 g/mol PG with 5.6% of the available hydroxyl end-groups replaced by trityl functions, as shown by UV-vis measurements. Semiempirical model calculations suggest an even higher efficiency for PG5000 with 2.5% functionalization and maximal molecule specific efficiency in general at low degrees of functionalization. Addition of trityl groups increases the surfactant-nanotube interactions in comparison to unfunctionalized PG because of pi-pi stacking interactions. However, at higher functionalization degrees mutual interactions between trityl groups come into play, decreasing the surfactant efficiency, while lack of water solubility becomes an issue at very high functionalization degrees. Low molar mass surfactants are less efficient compared to higher molar mass species most likely because the higher bulkiness of the latter allows for a better CNT separation and stabilization. The most efficient surfactant studied allowed dispersing 2.85 mg of CNT in 20 mL with as little as 1 mg of surfactant. These dispersions, remaining stable for at least 2 months, were mainly composed of individual CNTs as revealed by electron microscopy. |
| |
Address |
|
| |
Corporate Author |
|
Thesis |
|
| |
Publisher |
|
Place of Publication |
Washington, D.C. |
Editor |
|
| |
Language |
|
Wos |
000343638800013 |
Publication Date |
2014-09-23 |
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
| |
ISSN |
0743-7463;1520-5827; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| |
Impact Factor |
3.833 |
Times cited |
15 |
Open Access |
OpenAccess |
| |
Notes |
The authors gratefully acknowledge the SIM NanoForce programme for their financial support and thank the group of Prof. Thierry Verbiest, especially Maarten Bloemen, for the use of their UV−vis equipment. Bart Goderis and Mario Smet thank KU Leuven for financial support through a GOA project. Mert Kurttepeli and Sara Bals acknowledge funding from the European Research Council under the 7th Framework Program (FP7), ERC Starting Grant No. 335078 COLOURATOMS.; ECAS_Sara; (ROMEO:white; preprint:; postprint:restricted 12 months embargo; pdfversion:cannot); |
Approved |
Most recent IF: 3.833; 2014 IF: 4.457 |
| |
Call Number |
UA @ lucian @ c:irua:121140 |
Serial |
1471 |
| Permanent link to this record |
