Records |
Author |
Meulebroeck, W.; Cosyns, P.; Baert, K.; Wouters, H.; Cagno, S.; Janssens, K.; Terryn, H.; Nys, K.; Thienpont, H. |
Title |
Optical spectroscopy as a rapid and low-cost tool for the first-line analysis of glass artefacts : a step-by-step plan for Roman green glass |
Type |
A1 Journal article |
Year |
2011 |
Publication |
Journal of archaeological science |
Abbreviated Journal |
J Archaeol Sci |
Volume |
38 |
Issue |
9 |
Pages |
2387-2398 |
Keywords |
A1 Journal article; Engineering sciences. Technology; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
Abstract |
Archaeometric research on glass artefacts is continuously evolving and is converging towards a multidisciplinary research domain where different types of techniques are applied depending on the questions asked and the circumstances involved. The technique described in this work is optical spectroscopy. The benefit of this technique being the possibility of building up a knowledge database for a large amount of material in a relatively short period of time and with a relatively limited budget. This is of particular interest for the investigation of extensive and/or unexplored glass collections where a first-line analysis of artefacts could facilitate the selection of material needing further and more detailed examination. This publication explores the extent to which optical spectroscopy can be used for a first-line analysis of green coloured glass artefacts from the Roman period. It is shown that the colour coordinates calculated from the measured transmission spectrum could reveal information about the fragment under study. In particular it is shown that 1) based on the position of the calculated colour values on the colour diagram (CIE1931) one could easily know whether the artefact was coloured using only iron or if copper oxides were also present. In the case of the artefact owing its colour solely to the presence of iron, the distance between the measured colour values and the colour diagrams white point can roughly indicate the iron concentration of the sample; 2) artefacts that were fabricated under similar furnace conditions can also be identified on the colour diagram; 3) samples with identical compositions and fabrication conditions but with different sample thickness, gave rise to a variation in the colour coordinates, thus allowing optical spectroscopy to help identify fragments which might belong to the same object. |
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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 ![sorted by Wos field, descending order (down)](img/sort_desc.gif) |
000293551200037 |
Publication Date |
2011-05-12 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0305-4403 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.602 |
Times cited |
18 |
Open Access |
|
Notes |
; The authors would like to express their gratitude to the Vrije Universiteit Brussel for funding this research in the framework of HOA15, a “Horizontal Research Action” which encourages collaboration between research groups from different departments within the same University having expertise in specific research disciplines and also to the OZR-project 1247 BOF. The authors are also very grateful to the following persons for having permitted the study of their material: Rica Annaert and Sofie Vanhoutte of the “Vlaams lnstituut voor Onroerend Erfgoed (VIOE): Grobbendonk, Matagne-la-Petite, Oudenburg; Jean-Louis Antoine of the Musee Archeologique Namur: Nismes; Tom Debruyne of the ”Erfgoedcel“ Tienen: Tienen: Marc Rogge and Kurt Braeckman of the ”Provinciaal Archeologisch Museum (PAM)": Kruishoutem, Velzeke; Walter Sevenants: Rumst and Anne de Pyre-Gysel from the Musee Romain d'Avenches: Avenches. ; |
Approved |
Most recent IF: 2.602; 2011 IF: 1.914 |
Call Number |
UA @ admin @ c:irua:92389 |
Serial |
5756 |
Permanent link to this record |
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Author |
Turner, S.; Lazar, S.; Freitag, B.; Egoavil, R.; Verbeeck, J.; Put, S.; Strauven, Y.; Van Tendeloo, G. |
Title |
High resolution mapping of surface reduction in ceria nanoparticles |
Type |
A1 Journal article |
Year |
2011 |
Publication |
Nanoscale |
Abbreviated Journal |
Nanoscale |
Volume |
3 |
Issue |
8 |
Pages |
3385-3390 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
Surface reduction of ceria nano octahedra with predominant {111} and {100} type surfaces is studied using a combination of aberration-corrected Transmission Electron Microscopy (TEM) and spatially resolved electron energy-loss spectroscopy (EELS) at high energy resolution and atomic spatial resolution. The valency of cerium ions at the surface of the nanoparticles is mapped using the fine structure of the Ce M4,5 edge as a fingerprint. The valency of the surface cerium ions is found to change from 4+ to 3+ owing to oxygen deficiency (vacancies) close to the surface. The thickness of this Ce3+ shell is measured using atomic-resolution Scanning Transmission Electron Microscopy (STEM)-EELS mapping over a {111} surface (the predominant facet for this ceria morphology), {111} type surface island steps and {100} terminating planes. For the {111} facets and for {111} surface islands, the reduction shell is found to extend over a single fully reduced surface plane and 12 underlying mixed valency planes. For the {100} facets the reduction shell extends over a larger area of 56 oxygen vacancy-rich planes. This finding provides a plausible explanation for the higher catalytic activity of the {100} surface facets in ceria. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Cambridge |
Editor |
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Language |
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Wos ![sorted by Wos field, descending order (down)](img/sort_desc.gif) |
000293521700057 |
Publication Date |
2011-06-30 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
2040-3364;2040-3372; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
7.367 |
Times cited |
127 |
Open Access |
|
Notes |
Fwo |
Approved |
Most recent IF: 7.367; 2011 IF: 5.914 |
Call Number |
UA @ lucian @ c:irua:90361UA @ admin @ c:irua:90361 |
Serial |
1458 |
Permanent link to this record |
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Author |
King, G.; Abakumov, A.M.; Woodward, P.M.; Llobet, A.; Tsirlin, A.A.; Batuk, D.; Antipov, E.V. |
Title |
The high-temperature polymorphs of K3AlF6 |
Type |
A1 Journal article |
Year |
2011 |
Publication |
Inorganic chemistry |
Abbreviated Journal |
Inorg Chem |
Volume |
50 |
Issue |
16 |
Pages |
7792-7801 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
The crystal structures of the three high-temperature polymorphs of K3AlF6 have been solved from neutron powder diffraction, synchrotron X-ray powder diffraction, and electron diffraction data. The β-phase (stable between 132 and 153 °C) and γ-phase (stable between 153 to 306 °C) can be described as unusually complex superstructures of the double-perovskite structure (K2KAlF6) which result from noncooperative tilting of the AlF6 octahedra. The β-phase is tetragonal, space group I4/m, with lattice parameters of a = 13.3862(5) Å and c = 8.5617(3) Å (at 143 °C) and Z = 10. In this phase, one-fifth of the AlF6 octahedra are rotated about the c-axis by 45° while the other four-fifths remain untilted. The large 45° rotations result in edge sharing between these AlF6 octahedra and the neighboring K-centered polyhedra, resulting in pentagonal bipyramidal coordination for four-fifths of the K+ ions that reside on the B-sites of the perovskite structure. The remaining one-fifth of the K+ ions on the B-sites retain octahedral coordination. The γ-phase is orthorhombic, space group Fddd, with lattice parameters of a = 36.1276(4) Å, b = 17.1133(2) Å, and c = 12.0562(1) Å (at 225 °C) and Z = 48. In the γ-phase, one-sixth of the AlF6 octahedra are randomly rotated about one of two directions by 45° while the other five-sixths remain essentially untilted. These rotations result in two-thirds of the K+ ions on the B-site obtaining 7-fold coordination while the other one-third remain in octahedral coordination. The δ-phase adopts the ideal cubic double-perovskite structure, space group Fmm, with a = 8.5943(1) Å at 400 °C. However, pair distribution function analysis shows that locally the δ-phase is quite different from its long-range average crystal structure. The AlF6 octahedra undergo large-amplitude rotations which are accompanied by off-center displacements of the K+ ions that occupy the 12-coordinate A-sites. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Easton, Pa |
Editor |
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Language |
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Wos ![sorted by Wos field, descending order (down)](img/sort_desc.gif) |
000293493100052 |
Publication Date |
2011-07-11 |
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 |
0020-1669;1520-510X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
4.857 |
Times cited |
19 |
Open Access |
|
Notes |
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Approved |
Most recent IF: 4.857; 2011 IF: 4.601 |
Call Number |
UA @ lucian @ c:irua:91131 |
Serial |
1468 |
Permanent link to this record |
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Author |
Lindner, H.; Bogaerts, A. |
Title |
Multi-element model for the simulation of inductively coupled plasmas : effects of helium addition to the central gas stream |
Type |
A1 Journal article |
Year |
2011 |
Publication |
Spectrochimica acta: part B : atomic spectroscopy |
Abbreviated Journal |
Spectrochim Acta B |
Volume |
66 |
Issue |
6 |
Pages |
421-431 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
A model for an atmospheric pressure inductively coupled plasma (ICP) is developed which allows rather easy extension to a variable number of species and ionisation degrees. This encompasses an easy calculation of transport parameters for mixtures, ionisation and heat capacity. The ICP is modeled in an axisymmetric geometry, taking into account the gas streaming into a flowing ambient gas. A mixture of argon and helium is applied in the injector gas stream as it is often done in laser ablation ICP spectrometry. The results show a strong influence of the added helium on the center of the ICP, which is important for chemical analysis. The length of the central channel is significantly increased and the temperature inside is significantly higher than in the case of pure argon. This means that higher gas volume flow rates can be applied by addition of helium compared to the use of pure argon. This has the advantage that the gas velocity in the transport system towards the ICP can be increased, which allows shorter washout-times. Consequently, shorter measurement times can be achieved, e.g. for spatial mapping analyses in laser ablation ICP spectrometry. Furthermore, the higher temperature and the longer effective plasma length will increase the maximum size of droplets or particles injected into the ICP that are completely evaporated at the detection site. Thus, we expect an increase of the analytical performance of the ICP by helium addition to the injector gas. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Oxford |
Editor |
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Language |
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Wos ![sorted by Wos field, descending order (down)](img/sort_desc.gif) |
000293488700003 |
Publication Date |
2011-04-20 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0584-8547; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.241 |
Times cited |
28 |
Open Access |
|
Notes |
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Approved |
Most recent IF: 3.241; 2011 IF: 2.876 |
Call Number |
UA @ lucian @ c:irua:90190 |
Serial |
2209 |
Permanent link to this record |
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Author |
de Clippel, F.; Harkiolakis, A.; Vosch, T.; Ke, X.; Giebeler, L.; Oswald, S.; Houthoofd, K.; Jammaer, J.; Van Tendeloo, G.; Martens, J.A.; Jacobs, P.A.; Baron, G.V.; Sels, B.F.; Denayer, J.F.M. |
Title |
Graphitic nanocrystals inside the pores of mesoporous silica : synthesis, characterization and an adsorption study |
Type |
A1 Journal article |
Year |
2011 |
Publication |
Microporous and mesoporous materials: zeolites, clays, carbons and related materials |
Abbreviated Journal |
Micropor Mesopor Mat |
Volume |
144 |
Issue |
1/3 |
Pages |
120-133 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
This work presents a new carbonsilica hybrid material, denoted as CSM, with remarkable sorption properties. It consists of intraporous graphitic nanocrystals grown in the pores of mesoporous silica. CSM is obtained by a subtle incipient wetness impregnation of Al-containing mesoporous silica with furfuryl alcohol (FA)/hemelitol solutions. Both the volume match of the impregnation solution with that of the silica template pore volume, and the presence of Al3+ in the silica, are crucial to polymerize FA selectively inside the mesopores. Carbonization of the intraporous polymer was then performed by pyrolysis under He up to 1273 K. The resulting CSMs were examined by SEM, HRTEM, 27Al MAS NMR, N2 adsorption, XRD, TGA, TPD, XPS, pycnometry and Raman spectroscopy. Mildly oxidized graphitic-like carbon nanoblocks, consisting of a few graphene-like sheets, were thus identified inside the template mesopores. Random stacking of these carbon crystallites generates microporosity resulting in biporous materials at low carbon content and microporous materials at high carbon loadings. Very narrow pore distributions were obtained when pyrolysis was carried out under slow heating rate, viz. 1 K min−1. Adsorption and shape selective properties of the carbon filled mesoporous silica were studied by performing pulse chromatography and breakthrough experiments, and by measuring adsorption isotherms of linear and branched alkanes. Whereas the parent mesoporous silica shows unselective adsorption, their CSM analogues preferentially adsorb linear alkanes. The sorption capacity and selectivity can be adjusted by changing the pore size of the template or by varying the synthesis conditions. A relation between the carbon crystallites size and the shape selective behaviour of the corresponding CSM for instance is demonstrated. Most interestingly, CSM shows separation factors for linear and branched alkanes up to values comparable to those of zeolitic molecular sieves. |
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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 ![sorted by Wos field, descending order (down)](img/sort_desc.gif) |
000293435400016 |
Publication Date |
2011-04-15 |
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 |
1387-1811; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.615 |
Times cited |
15 |
Open Access |
|
Notes |
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Approved |
Most recent IF: 3.615; 2011 IF: 3.285 |
Call Number |
UA @ lucian @ c:irua:92325 |
Serial |
1380 |
Permanent link to this record |
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Author |
Hadermann, J.; Abakumov, A.M.; Turner, S.; Hafideddine, Z.; Khasanova, N.R.; Antipov, E.V.; Van Tendeloo, G. |
Title |
Solving the structure of Li ion battery materials with precession electron diffraction : application to Li2CoPo4F |
Type |
A1 Journal article |
Year |
2011 |
Publication |
Chemistry of materials |
Abbreviated Journal |
Chem Mater |
Volume |
23 |
Issue |
15 |
Pages |
3540-3545 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
The crystal structure of the Li2CoPO4F high-voltage cathode for Li ion rechargeable batteries has been completely solved from precession electron diffraction (PED) data, including the location of the Li atoms. The crystal structure consists of infinite chains of CoO4F2 octahedra sharing common edges and linked into a 3D framework by PO4 tetrahedra. The chains and phosphate anions together delimit tunnels filled with the Li atoms. This investigation demonstrates that PED can be successfully applied for obtaining structural information on a variety of Li-containing electrode materials even from single micrometer-sized crystallites. |
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 ![sorted by Wos field, descending order (down)](img/sort_desc.gif) |
000293357100019 |
Publication Date |
2011-07-11 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0897-4756;1520-5002; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
9.466 |
Times cited |
46 |
Open Access |
|
Notes |
Fwo; Bof |
Approved |
Most recent IF: 9.466; 2011 IF: 7.286 |
Call Number |
UA @ lucian @ c:irua:90357 |
Serial |
3053 |
Permanent link to this record |
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Author |
Xu, B.; Milošević, M.V.; Lin, S.-H.; Peeters, F.M.; Jankó, B. |
Title |
Formation of multiple-flux-quantum vortices in mesoscopic superconductors from simulations of calorimetric, magnetic, and transport properties |
Type |
A1 Journal article |
Year |
2011 |
Publication |
Physical review letters |
Abbreviated Journal |
Phys Rev Lett |
Volume |
107 |
Issue |
5 |
Pages |
057002,1-057002,4 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
Because of strong flux confinement in mesoscopic superconductors, a giant vortex may appear in the ground state of the system in an applied magnetic field. This multiquanta vortex can then split into individual vortices (and vice versa) as a function of, e.g., applied current, magnetic field, or temperature. Here we show that such transitions can be identified by calorimetry, as the formation or splitting of a giant vortex results in a clear jump in measured heat capacity versus external drive. We attribute this phenomenon to an abrupt change in the density of states of the quasiparticle excitations in the vortex core(s), and further link it to a sharp change of the magnetic susceptibility at the transitionproving that the formation of a giant vortex can also be detected by magnetometry. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
New York, N.Y. |
Editor |
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Language |
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Wos ![sorted by Wos field, descending order (down)](img/sort_desc.gif) |
000293333100006 |
Publication Date |
2011-07-29 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0031-9007;1079-7114; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
8.462 |
Times cited |
26 |
Open Access |
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Notes |
; We thank O. Bourgeois, T. Yokoyama, M. Eschrig, and M. Ichioka for discussions. This work was supported by FWO-Vlaanderen, the Belgian Science Policy (IAP), the bilateral project Flanders-USA, NSF NIRT, ECS-0609249, and Institute of Theoretical Sciences, Notre Dame. ; |
Approved |
Most recent IF: 8.462; 2011 IF: 7.370 |
Call Number |
UA @ lucian @ c:irua:91237 |
Serial |
1263 |
Permanent link to this record |
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Author |
Zarenia, M.; Pereira, J.M.; Peeters, F.M.; Farias, G. de A. |
Title |
Topological confinement in an antisymmetric potential in bilayer graphene in the presence of a magnetic field |
Type |
A1 Journal article |
Year |
2011 |
Publication |
Nanoscale research letters |
Abbreviated Journal |
Nanoscale Res Lett |
Volume |
6 |
Issue |
|
Pages |
452,1-452,10 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
We investigate the effect of an external magnetic field on the carrier states that are localized at a potential kink and a kink-antikink in bilayer graphene. These chiral states are localized at the interface between two potential regions with opposite signs. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
New York, N.Y. |
Editor |
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Language |
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Wos ![sorted by Wos field, descending order (down)](img/sort_desc.gif) |
000293299800001 |
Publication Date |
2011-07-14 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1556-276X; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.833 |
Times cited |
4 |
Open Access |
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Notes |
; This work was supported by the Brazilian agency CNPq (Pronex), the Flemish Science Foundation (FWO-Vl), the Belgian Science Policy (IAP), and the bilateral projects between Flanders and Brazil and FWO-CNPq. ; |
Approved |
Most recent IF: 2.833; 2011 IF: NA |
Call Number |
UA @ lucian @ c:irua:91745 |
Serial |
3674 |
Permanent link to this record |
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Author |
Nikolova, I.; Janssen, S.; Vrancken, K.; Vos, P.; Mishra, V.; Berghmans, P. |
Title |
Size resolved ultrafine particles emission model : a continues size distribution approach |
Type |
A1 Journal article |
Year |
2011 |
Publication |
The science of the total environment |
Abbreviated Journal |
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Volume |
409 |
Issue |
18 |
Pages |
3492-3499 |
Keywords |
A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
Abstract |
A new parameterization for size resolved ultrafine particles (UFP) traffic emissions is proposed based on the results of PARTICULATES project (Samaras et al., 2005). It includes the emission factors from the Emission Inventory Guidebook (2006) (total number of particles, #/km/veh), the shape of the corresponding particle size distribution given in PARTICULATES and data for the traffic activity. The output of the model UFPEM (UltraFine Particle Emission Model) is a sum of continuous distributions of ultrafine particles emissions per vehicle type (passenger cars and heavy duty vehicles), fuel (petrol and diesel) and average speed representative for urban, rural and highway driving. The results from the parameterization are compared with measured total number of ultrafine particles and size distributions in a tunnel in Antwerp (Belgium). The measured UFP concentration over the entire campaign shows a close relation to the traffic activity. The modelled concentration is found to be lower than the measured in the campaign. The average emission factor from the measurement is 4.29E + 14 #/km/veh whereas the calculated is around 30% lower. A comparison of emission factors with literature is done as well and in overall a good agreement is found. For the size distributions it is found that the measured distributions consist of three modes Nucleation, Aitken and accumulation and most of the ultrafine particles belong to the Nucleation and the Aitken modes. The modelled Aitken mode (peak around 0.040.05 μm) is found in a good agreement both as amplitude of the peak and the number of particles whereas the modelled Nucleation mode is shifted to smaller diameters and the peak is much lower that the observed. Time scale analysis shows that at 300 m in the tunnel coagulation and deposition are slow and therefore neglected. The UFPEM emission model can be used as a source term in dispersion models. |
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Publisher |
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Place of Publication |
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Wos ![sorted by Wos field, descending order (down)](img/sort_desc.gif) |
000293260100026 |
Publication Date |
2011-06-19 |
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 |
0048-9697; 1879-1026 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
|
Times cited |
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Open Access |
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Notes |
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Approved |
no |
Call Number |
UA @ admin @ c:irua:91949 |
Serial |
8546 |
Permanent link to this record |
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Author |
Tsirlin, A.A.; Nath, R.; Abakumov, A.M.; Furukawa, Y.; Johnston, D.C.; Hemmida, M.; Krug von Nidda, H.-A.; Loidl, A.; Geibel, C.; Rosner, H. |
Title |
Phase separation and frustrated square lattice magnetism of Na1.5VOPO4F0.5 |
Type |
A1 Journal article |
Year |
2011 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
84 |
Issue |
1 |
Pages |
014429-014429,16 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
Crystal structure, electronic structure, and magnetic behavior of the spin-1/2 quantum magnet Na1.5VOPO4F0.5 are reported. The disorder of Na atoms leads to a sequence of structural phase transitions revealed by synchrotron x-ray powder diffraction and electron diffraction. The high-temperature second-order α↔β transition at 500 K is of the order-disorder type, whereas the low-temperature β↔γ+γ′ transition around 250 K is of the first order and leads to a phase separation toward the polymorphs with long-range (γ) and short-range (γ′) order of Na. Despite the complex structural changes, the magnetic behavior of Na1.5VOPO4F0.5 probed by magnetic susceptibility, heat capacity, and electron spin resonance measurements is well described by the regular frustrated square lattice model of the high-temperature α-polymorph. The averaged nearest-neighbor and next-nearest-neighbor couplings are J̅ 1≃−3.7 K and J̅ 2≃6.6 K, respectively. Nuclear magnetic resonance further reveals the long-range ordering at TN=2.6 K in low magnetic fields. Although the experimental data are consistent with the simplified square-lattice description, band structure calculations suggest that the ordering of Na atoms introduces a large number of inequivalent exchange couplings that split the square lattice into plaquettes. Additionally, the direct connection between the vanadium polyhedra induces an unusually strong interlayer coupling having effect on the transition entropy and the transition anomaly in the specific heat. Peculiar features of the low-temperature crystal structure and the relation to isostructural materials suggest Na1.5VOPO4F0.5 as a parent compound for the experimental study of tetramerized square lattices as well as frustrated square lattices with different values of spin. |
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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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Language |
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Wos ![sorted by Wos field, descending order (down)](img/sort_desc.gif) |
000293247400008 |
Publication Date |
2011-07-28 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
|
ISSN |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.836 |
Times cited |
47 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 3.836; 2011 IF: 3.691 |
Call Number |
UA @ lucian @ c:irua:91770 |
Serial |
2588 |
Permanent link to this record |
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|
|
Author |
Orlinskii, S.B.; Bogomolov, R.S.; Kiyamova, A.M.; Yavkin, B.V.; Mamin, G.M.; Turner, S.; Van Tendeloo, G.; Shiryaev, A.A.; Vlasov, I.I.; Shenderova, O. |
Title |
Identification of substitutional nitrogen and surface paramagnetic centers in nanodiamond of dynamic synthesis by electron paramagnetic resonance |
Type |
A1 Journal article |
Year |
2011 |
Publication |
Nanoscience and nanotechnology letters |
Abbreviated Journal |
Nanosci Nanotech Let |
Volume |
3 |
Issue |
1 |
Pages |
63-67 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
Production of nanodiamond particles containing substitutional nitrogen is important for a wide variety of advanced applications. In the current work nanodiamond particles synthesized from a mixture of graphite and hexogen were analyzed to determine the presence of substitutional nitrogen using pulsed electron paramagnetic resonance (EPR) spectroscopy. Nitrogen paramagnetic centers in the amount of 1.2 ppm have been identified. The spin relaxation characteristics for both nitrogen and surface defects are also reported. A new approach for efficient depletion of the strong non-nitrogen EPR signal in nanodiamond material by immersing nanodiamond particles into ice matrix is suggested. This approach allows an essential decrease of the spin relaxation time of the dominant non-nitrogen defects, while preserving the substitutional nitrogen spin relaxation time. |
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 ![sorted by Wos field, descending order (down)](img/sort_desc.gif) |
000293211200012 |
Publication Date |
2011-09-19 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1941-4900;1941-4919; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
1.889 |
Times cited |
14 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 1.889; 2011 IF: 0.528 |
Call Number |
UA @ lucian @ c:irua:91943 |
Serial |
1548 |
Permanent link to this record |
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|
Author |
Grodzinska, D.; Pietra, F.; van Huis, M.A.; Vanmaekelbergh, D.; de Mello Donegá, C. |
Title |
Thermally induced atomic reconstruction of PbSe/CdSe core/shell quantum dots into PbSe/CdSe bi-hemisphere hetero-nanocrystals |
Type |
A1 Journal article |
Year |
2011 |
Publication |
Journal of materials chemistry |
Abbreviated Journal |
J Mater Chem |
Volume |
21 |
Issue |
31 |
Pages |
11556-11565 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
The properties of hetero-nanocrystals (HNCs) depend strongly on the mutual arrangement of the nanoscale components. In this work we have investigated the structural and morphological evolution of colloidal PbSe/CdSe core/shell quantum dots upon annealing under vacuum. Prior to annealing the PbSe core has an approximately octahedral morphology with eight {111} facets, and the CdSe shell has zinc-blende crystal structure. Thermal annealing under vacuum at temperatures between 150 °C and 200 °C induces a structural and morphological reconstruction of the HNCs whereby the PbSe core and the CdSe shell are reorganized into two hemispheres joined by a common {111} Se plane. This thermally induced reconstruction leads to considerable changes in the optical properties of the colloidal PbSe/CdSe HNCs. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Cambridge |
Editor |
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Language |
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Wos ![sorted by Wos field, descending order (down)](img/sort_desc.gif) |
000293190200018 |
Publication Date |
2011-04-21 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0959-9428;1364-5501; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
|
Times cited |
44 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: NA |
Call Number |
UA @ lucian @ c:irua:91945 |
Serial |
3632 |
Permanent link to this record |
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Author |
Rønnow, T.F.; Pedersen, T.G.; Partoens, B.; Berthelsen, K.K. |
Title |
Variational quantum Monte Carlo study of charged excitons in fractional dimensional space |
Type |
A1 Journal article |
Year |
2011 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
84 |
Issue |
3 |
Pages |
035316-035316,13 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
In this article we study excitons and trions in fractional dimensional spaces using the model suggested by C. Palmer [ J. Phys. A: Math. Gen. 37 6987 (2004)] through variational quantum Monte Carlo. We present a direct approach for estimating the exciton binding energy and discuss the von Neumann rejection- and Metropolis sampling methods. A simple variational estimate of trions is presented which shows good agreement with previous calculations done within the fractional dimensional model presented by D. R. Herrick and F. H. Stillinger [ Phys. Rev. A 11 42 (1975) and J. Math. Phys. 18 1224 (1977)]. We explain the spatial physics of the positive and negative trions by investigating angular and inter-atomic distances. We then examine the wave function and explain the differences between the positive and negative trions with heavy holes. As applications of the fractional dimensional model we study three systems: First we apply the model to estimate the energy of the hydrogen molecular ion H2+. Then we estimate trion binding energies in GaAs-based quantum wells and we demonstrate a good agreement with other theoretical work as well as experimentally observed binding energies. Finally, we apply the results to carbon nanotubes. We find good agreement with recently observed binding energies of the positively charged trion. |
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 ![sorted by Wos field, descending order (down)](img/sort_desc.gif) |
000293129200012 |
Publication Date |
2011-07-26 |
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 |
15 |
Open Access |
|
Notes |
; ; |
Approved |
Most recent IF: 3.836; 2011 IF: 3.691 |
Call Number |
UA @ lucian @ c:irua:91741 |
Serial |
3837 |
Permanent link to this record |
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|
|
Author |
Glazov, M.M.; Semina, M.A.; Badalyan, S.M.; Vignale, G. |
Title |
Spin-current generation from Coulomb-Rashba interaction in semiconductor bilayers |
Type |
A1 Journal article |
Year |
2011 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
84 |
Issue |
3 |
Pages |
033305-033305,4 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
Electrons in double-layer semiconductor heterostructures experience a special type of spin-orbit interaction that arises in each layer from the perpendicular component of the Coulomb electric field created by electron-density fluctuations in the other layer. We show that this interaction, acting in combination with the usual spin-orbit interaction, can generate a spin current in one layer when a charge current is driven in the other. This effect is distinct symmetrywise from the spin-Hall drag. The spin current is not, in general, perpendicular to the drive current. |
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 ![sorted by Wos field, descending order (down)](img/sort_desc.gif) |
000293129200001 |
Publication Date |
2011-07-26 |
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 |
5 |
Open Access |
|
Notes |
; M.M.G. and M. A. S. are grateful to RFBR, EU projects Spinoptronics and POLAPHEN, and the “Dynasty” Foundation-ICFPM for financial support. S. M. B. acknowledges support from EU Grant No. PIIF-GA-2009-235394, the DFG SFB 689, and the Belgium Science Policy (IAP). G. V. acknowledges support from NSF Grant No. DMR-0705460. ; |
Approved |
Most recent IF: 3.836; 2011 IF: 3.691 |
Call Number |
UA @ lucian @ c:irua:91740 |
Serial |
3081 |
Permanent link to this record |
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|
Author |
Tognalii, N.G.; Cortés, E.; Hernández-Nieves, A.D.; Carro, P.; Usaj, G.; Balseiro, C.A.; Vela, M.E.; Salvarezza, R.C.; Fainstein, A. |
Title |
From single to multiple Ag-layer modification of Au nanocavity substrates : a tunable probe of the chemical surface-enhanced Raman scattering mechanism |
Type |
A1 Journal article |
Year |
2011 |
Publication |
ACS nano |
Abbreviated Journal |
Acs Nano |
Volume |
5 |
Issue |
7 |
Pages |
5433-5443 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
We present experimental and computational results that enlighten the mechanisms underlying the chemical contribution to surface-enhanced Raman scattering (SERS). Gold void metallic arrays electrochemically covered either by a Ag monolayer or 10100 Ag layers were modified with a self-assembled monolayer of 4-mercaptopyridine as a molecular Raman probe displaying a rich and unexpected Raman response. A resonant increase of the Raman intensity in the red part of the spectrum is observed that cannot be related to plasmon excitations of the cavity-array. Notably, we find an additional 1020 time increase of the SERS amplification upon deposition of a single Ag layer on the Au substrate, which is, however, almost quenched upon deposition of 10 atomic layers. Further deposition of 100 atomic Ag layers results in a new increase of the SERS signal, consistent with the improved plasmonic efficiency of Ag bulk-like structures. The SERS response as a function of the Ag layer thickness is analyzed in terms of ab initio calculations and a microscopic model for the SERS chemical mechanism based on a resonant charge transfer process between the molecular HOMO state and the Fermi level in the metal surface. We find that a rearrangement of the electronic charge density related to the presence of the Ag monolayer in the Au/Ag/molecule complex causes an increase in the distance between the HOMO center of charge and the metallic image plane that is responsible for the variation of Raman enhancement between the studied substrates. Our results provide a general platform for studying the chemical contribution to SERS, and for enhancing the Raman efficiency of tailored Au-SERS templates through electrochemical modification with Ag films. |
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 ![sorted by Wos field, descending order (down)](img/sort_desc.gif) |
000293035200019 |
Publication Date |
2011-06-15 |
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 |
26 |
Open Access |
|
Notes |
; We acknowledge financial support from ANPCyT (Argentina, PICT08-1617, PICT08-2236, PICT06-621, PICT-CNPQ-08-0019, PAE 22711, PICT06-01061, PICT06-483) and Project CTQ2008-06017/BQU, Spain. N.G.T, E.C., A.D.H.N., R.C.S, G.U., C.A.B., and A.F. are also at CONICET. M.E.V. is a member of the research career of CIC BsAs. R.C.S., C.A.B., and A.F. are Guggenheim Foundation Fellows. We would like to thank Dr. M. H. Fonticelli for fruitful discussions on the electrochemical measurements and Dr. H. Pastoriza for the help with the SEM measurements. ; |
Approved |
Most recent IF: 13.942; 2011 IF: 11.421 |
Call Number |
UA @ lucian @ c:irua:91775 |
Serial |
1285 |
Permanent link to this record |
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|
Author |
Masir, M.R.; Vasilopoulos, P.; Peeters, F.M. |
Title |
Graphene in inhomogeneous magnetic fields : bound, quasi-bound and scattering states |
Type |
A1 Journal article |
Year |
2011 |
Publication |
Journal of physics : condensed matter |
Abbreviated Journal |
J Phys-Condens Mat |
Volume |
23 |
Issue |
31 |
Pages |
315301,1-315301,14 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
The electron states in graphene-based magnetic dot and magnetic ring structures and combinations of both are investigated. The corresponding spectra are studied as a function of the radii, the strengths of the inhomogeneous magnetic field and of a uniform background field, the strength of an electrostatic barrier and the angular momentum quantum number. In the absence of an external magnetic field we have only long-lived quasi-bound and scattering states and we assess their influence on the density of states. In addition, we consider elastic electron scattering by a magnetic dot, whose average B vanishes, and show that the Hall and longitudinal resistivities, as a function of the Fermi energy, exhibit a pronounced oscillatory structure due to the presence of quasi-bound states. Depending on the dot parameters this oscillatory structure differs substantially for energies below and above the first Landau level. |
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 ![sorted by Wos field, descending order (down)](img/sort_desc.gif) |
000293008900002 |
Publication Date |
2011-07-16 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0953-8984;1361-648X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.649 |
Times cited |
38 |
Open Access |
|
Notes |
; This work was supported by the European Science Foundation (ESF) under the EUROCORES Program EuroGRAPHENE, the Canadian NSERC grant no. OGP0121756 and the Belgian Science Policy (IAP). We acknowledge discussions and correspondence with Professor A Matulis. ; |
Approved |
Most recent IF: 2.649; 2011 IF: 2.546 |
Call Number |
UA @ lucian @ c:irua:91176 |
Serial |
1372 |
Permanent link to this record |
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Author |
Vansweevelt, R.; Mortet, V.; D' Haen, J.; Ruttens, bart; van Haesendonck, C.; Partoens, B.; Peeters, F.M.; Wagner, P. |
Title |
Study on the giant positive magnetoresistance and Hall effect in ultrathin graphite flakes |
Type |
A1 Journal article |
Year |
2011 |
Publication |
Physica status solidi : A : applications and materials science |
Abbreviated Journal |
Phys Status Solidi A |
Volume |
208 |
Issue |
6 |
Pages |
1252-1258 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
In this paper, we report on the electronic transport properties of mesoscopic, ultrathin graphite flakes with a thickness corresponding to a stack of 150 graphene layers. The graphite flakes show an unexpectedly strong positive magnetoresistance (PMR) already at room temperature, which scales in good approximation with the square of the magnetic field. Furthermore, we show that the resistivity is unaffected by magnetic fields oriented in plane with the graphene layers. Hall effect measurements indicate that the charge carriers are p-type and their concentration increases with increasing temperature while the mobility is decreasing. The Hall voltage is non-linear in higher magnetic fields. Possible origins of the observed effects are discussed. Ball and stick model of the two topmost carbon layers of the hexagonal graphite structure. |
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 ![sorted by Wos field, descending order (down)](img/sort_desc.gif) |
000292945800008 |
Publication Date |
2011-02-24 |
Series Editor |
|
Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1862-6300; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
1.775 |
Times cited |
8 |
Open Access |
|
Notes |
; The authors gratefully acknowledge the support by FWO – Research Foundation Flanders (project G.0159.07 “Structural and electronic properties of biologically modified, graphene-based layers”), by the Federal Belgian Interuniversity Attraction Poles Programme BELSPO (project TAP VI P6/42 “Quantum effects in clusters and nanowires”) and by the Methusalem network “NANO – Antwerp-Hasselt,” funded by the Flemish Community. Technical assistance by Stoffel D. Janssens (magnet calibration and software development), Dr. Hong Yin (AFM-based thickness studies), Dr. Ronald Thoelen (data analysis), and Prof. Hans-Gerd Boyen (XPS spectroscopy) is greatly appreciated. ; |
Approved |
Most recent IF: 1.775; 2011 IF: 1.463 |
Call Number |
UA @ lucian @ c:irua:91941 |
Serial |
3343 |
Permanent link to this record |
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Author |
Shenderova, O.A.; Vlasov, I.I.; Turner, S.; Van Tendeloo, G.; Orlinskii, S.B.; Shiryaev, A.A.; Khomich, A.A.; Sulyanov, S.N.; Jelezko, F.; Wrachtrup, J. |
Title |
Nitrogen control in nanodiamond produced by detonation shock-wave-assisted synthesis |
Type |
A1 Journal article |
Year |
2011 |
Publication |
The journal of physical chemistry: C : nanomaterials and interfaces |
Abbreviated Journal |
J Phys Chem C |
Volume |
115 |
Issue |
29 |
Pages |
14014-14024 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
Development of efficient production methods of nanodiamond (ND) particles containing substitutional nitrogen and nitrogen-vacancy (NV) complexes remains an important goal in the nanodiamond community. ND synthesized from explosives is generally not among the preferred candidates for imaging applications owing to lack of optically active particles containing NV centers. In this paper, we have systematically studied representative classes of NDs produced by detonation shock wave conversion of different carbon precursor materials, namely, graphite and a graphite/hexogen mixture into ND, as well as ND produced from different combinations of explosives using different cooling methods (wet or dry cooling). We demonstrate that (i) the N content in nanodiamond particles can be controlled through a correct selection of the carbon precursor material (addition of graphite, explosives composition); (ii) particles larger than approximately 20 nm may contain in situ produced optically active NV centers, and (iii) in ND produced from explosives, NV centers are detected only in ND produced by wet synthesis. ND synthesized from a mixture of graphite/explosive contains the largest amount of NV centers formed during synthesis and thus deserves special attention. |
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 ![sorted by Wos field, descending order (down)](img/sort_desc.gif) |
000292892500009 |
Publication Date |
2011-06-08 |
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 |
1932-7447;1932-7455; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
4.536 |
Times cited |
54 |
Open Access |
|
Notes |
Esteem 026019; Fwo |
Approved |
Most recent IF: 4.536; 2011 IF: 4.805 |
Call Number |
UA @ lucian @ c:irua:91259 |
Serial |
2342 |
Permanent link to this record |
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Author |
Kontozova-Deutsch, V.; Cardell, carolina; Urosevic, M.; Ruiz-Agudo, E.; Deutsch, F.; Van Grieken, R. |
Title |
Characterization of indoor and outdoor atmospheric pollutants impacting architectural monuments : the case of San Jerónimo Monastery (Granada, Spain) |
Type |
A1 Journal article |
Year |
2011 |
Publication |
Environmental earth sciences |
Abbreviated Journal |
|
Volume |
63 |
Issue |
7/8 |
Pages |
1433-1445 |
Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
Abstract |
Indoor and outdoor concentrations of atmospheric gaseous pollutants as well as composition, size, and morphology of particulate matter have been investigated at the monastery of San Jerónimo in Granada (Southern Spain). Complementary micro- and nano-analytical techniques were applied; elemental and mineralogical composition and morphological characteristics of particulate matter were investigated combining electron probe microanalysis at the single particle level, and bulk aerosol samples were analyzed using energy-dispersive X-ray fluorescence, X-ray diffraction, scanning electron microscopy with energy-dispersive X-ray analyzer and transmission electron microscopy (TEM). Microclimatic conditions at the monastery were monitored, and gas concentrations were assessed by means of diffusion tubes subsequently analyzed with ion chromatography. Results revealed high abundances of soil dust particles (aluminosilicates, calcite, dolomite, quartz), salt aerosols (chlorides, sulfates and ammonium-rich salts), and NO2 and SO2 both outdoors and indoors. Amorphous black carbon particles had surprisingly high abundances for Granada, a non-industrialized city. The composition of indoor particles corresponds to severe weathering affecting the construction materials and artworks inside the church; moreover their composition promotes a feedback process that intensifies the deterioration. Chemical reactions between chloride-rich salts and pigments from paintings were confirmed by TEM analyses. Indoors, blackening of surface decorative materials is fostered by particle re-suspension due to cleaning habits in the monastery (i.e. dusting). This is the first air quality study performed in a monument in the city of Granada with the aim of developing a strategy for preventive conservation. |
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Place of Publication |
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Wos ![sorted by Wos field, descending order (down)](img/sort_desc.gif) |
000292744300003 |
Publication Date |
2010-07-19 |
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 |
1866-6280 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
|
Times cited |
|
Open Access |
|
Notes |
|
Approved |
no |
Call Number |
UA @ admin @ c:irua:90766 |
Serial |
7630 |
Permanent link to this record |
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Author |
Dixon, E.; Hadermann, J.; Hayward, M.A. |
Title |
The synthesis and complex anion-vacancy ordered structure of La0.33Sr0.67MnO2.42 |
Type |
A1 Journal article |
Year |
2011 |
Publication |
Journal of solid state chemistry |
Abbreviated Journal |
J Solid State Chem |
Volume |
184 |
Issue |
7 |
Pages |
1791-1799 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
The low-temperature topotactic reduction of La0.33Sr0.67MnO3 with NaH results in the formation of La0.33Sr0.67MnO2.42. A combination of neutron powder and electron diffraction data show that La0.33Sr0.67MnO2.42 adopts a novel anion-vacancy ordered structure with a 6-layer OOTOOT' stacking sequence of the octahedral and tetrahedral layers (Pcmb, a=5.5804(1) Å, b=23.4104(7) Å, c=11.2441(3) Å). A significant concentration of anion vacancies at the anion site, which links neighbouring octahedral layers means that only 25% of the octahedral manganese coordination sites actually have 6-fold MnO6 coordination, the remainder being MnO5 square-based pyramidal sites. The chains of cooperatively twisted apex-linked MnO4 tetrahedra adopt an ordered -LRLR- arrangement within each tetrahedral layer. This is the first published example of a fully refined structure of this type which exhibits such intralayer ordering of the twisted tetrahedral chains. The rationale behind the contrasting structures of La0.33Sr0.67MnO2.42 and other previously reported reduced La1−xSrxMnO3−y phases is discussed. |
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 ![sorted by Wos field, descending order (down)](img/sort_desc.gif) |
000292718500032 |
Publication Date |
2011-05-26 |
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 |
0022-4596; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.299 |
Times cited |
8 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 2.299; 2011 IF: 2.159 |
Call Number |
UA @ lucian @ c:irua:90885 |
Serial |
3600 |
Permanent link to this record |
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Author |
Dixit, H.; Saniz, R.; Lamoen, D.; Partoens, B. |
Title |
Accurate pseudopotential description of the GW bandstructure of ZnO |
Type |
A1 Journal article |
Year |
2011 |
Publication |
Computer physics communications |
Abbreviated Journal |
Comput Phys Commun |
Volume |
182 |
Issue |
9 |
Pages |
2029-2031 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT) |
Abstract |
We present the GW band structure of ZnO in its wurtzite (WZ), zincblende (ZB) and rocksalt (RS) phases at the Γ point, calculated within the GW approximation. We have used a Zn20+ pseudopotential which is essential for the adequate treatment of the exchange interaction in the self-energy. The accuracy of the pseudopotential used is also discussed. The effect of the pd hybridization on the GW corrections to the band gap is correlated by comparing the ZB and RS phase. |
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 ![sorted by Wos field, descending order (down)](img/sort_desc.gif) |
000292675100062 |
Publication Date |
2011-02-17 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0010-4655; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.936 |
Times cited |
18 |
Open Access |
|
Notes |
; ; |
Approved |
Most recent IF: 3.936; 2011 IF: 3.268 |
Call Number |
UA @ lucian @ c:irua:90761 |
Serial |
51 |
Permanent link to this record |
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Author |
Jehanathan, N.; Georgieva, V.; Saraiva, M.; Depla, D.; Bogaerts, A.; Van Tendeloo, G. |
Title |
The influence of Cr and Y on the micro structural evolution of Mg―Cr―O and Mg―Y―O thin films |
Type |
A1 Journal article |
Year |
2011 |
Publication |
Thin solid films : an international journal on the science and technology of thin and thick films |
Abbreviated Journal |
Thin Solid Films |
Volume |
519 |
Issue |
16 |
Pages |
5388-5396 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT); Electron microscopy for materials research (EMAT) |
Abstract |
The compositional influence of Cr and Y on the microstructure of Mg―Cr―O, and Mg―Y―O films synthesized by reactive magnetron sputtering has been investigated by transmission electron microscopy, X-ray diffraction and molecular dynamics simulations. A decrease in crystallinity is observed in these films as the M (Cr or Y) content is increased. It is found that M forms a solid solution with MgO for metal ratios up to ~ 70% and ~ 50% for Cr and Y respectively. Above ~ 70% Cr metal ratio the Mg―Cr―O films are found to be completely amorphous. The Mg―Y―O films are composed of Mg(Y)O and Y2O3 nano crystallites, up to ~ 50% Y metal ratio. Above this ratio, only Y2O3 nano crystallites are found. The preferential < 111> MgO grain alignment is strongly affected by the increase in M content. For M metal ratios up to ~ 50%, there is a selective promotion of the < 100> MgO grain alignments and a decline in the < 111> grain alignments. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Lausanne |
Editor |
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Language |
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Wos ![sorted by Wos field, descending order (down)](img/sort_desc.gif) |
000292573500013 |
Publication Date |
2011-02-26 |
Series Editor |
|
Series Title |
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Abbreviated Series Title |
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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 |
4 |
Open Access |
|
Notes |
Iwt |
Approved |
Most recent IF: 1.879; 2011 IF: 1.890 |
Call Number |
UA @ lucian @ c:irua:89516 |
Serial |
1618 |
Permanent link to this record |
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|
Author |
Jochems, P.; Satyawali, Y.; Diels, L.; Dejonghe, W. |
Title |
Enzyme immobilization on/in polymeric membranes : status, challenges and perspectives in biocatalytic membrane reactors (BMRs) |
Type |
A1 Journal article |
Year |
2011 |
Publication |
Green chemistry : cutting-edge research for a greener sustainable future |
Abbreviated Journal |
|
Volume |
13 |
Issue |
7 |
Pages |
1609-1623 |
Keywords |
A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL) |
Abstract |
Immobilization of enzymes is beneficial in terms of improving the process economics by enabling enzyme re-use and enhancing overall productivity and robustness. Increasingly, membranes are thought to be good supports for enzyme immobilization. These resulting biocatalytic membranes are integrated in reactors known as biocatalytic membrane reactors (BMRs) which enable the integration of biocatalysis and separation. Often the available commercial membranes require modifications to make them suitable for enzyme immobilization. Different immobilization techniques can be used on such suitable membranes, but no general rules exist for making a choice between them. Despite the advantages of BMR application, there are some issues which need to be addressed in order to achieve up-scaling of such systems. In this review, the different aspects of enzyme immobilization on membranes are discussed to show the complexity of this interdisciplinary technology. In addition, the existing issues which require further investigation are highlighted. |
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 ![sorted by Wos field, descending order (down)](img/sort_desc.gif) |
000292450600002 |
Publication Date |
2011-05-26 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1463-9262; 1463-9270 |
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:89567 |
Serial |
7930 |
Permanent link to this record |
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Author |
Vandenberghe, W.; Sorée, B.; Magnus, W.; Fischetti, M.V. |
Title |
Generalized phonon-assisted Zener tunneling in indirect semiconductors with non-uniform electric fields : a rigorous approach |
Type |
A1 Journal article |
Year |
2011 |
Publication |
Journal of applied physics |
Abbreviated Journal |
J Appl Phys |
Volume |
109 |
Issue |
12 |
Pages |
124503-124503,12 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
A general framework to calculate the Zener current in an indirect semiconductor with an externally applied potential is provided. Assuming a parabolic valence and conduction band dispersion, the semiconductor is in equilibrium in the presence of the external field as long as the electron-phonon interaction is absent. The linear response to the electron-phonon interaction results in a non-equilibrium system. The Zener tunneling current is calculated from the number of electrons making the transition from valence to conduction band per unit time. A convenient expression based on the single particle spectral functions is provided, enabling the evaluation of the Zener tunneling current under any three-dimensional potential profile. For a one-dimensional potential profile an analytical expression is obtained for the current in a bulk semiconductor, a semiconductor under uniform field, and a semiconductor under a non-uniform field using the WKB (Wentzel-Kramers-Brillouin) approximation. The obtained results agree with the Kane result in the low field limit. A numerical example for abrupt p-n diodes with different doping concentrations is given, from which it can be seen that the uniform field model is a better approximation than the WKB model, but a direct numerical treatment is required for low bias conditions. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
|
Language |
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Wos ![sorted by Wos field, descending order (down)](img/sort_desc.gif) |
000292331200134 |
Publication Date |
2011-06-21 |
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 |
2.068 |
Times cited |
41 |
Open Access |
|
Notes |
; William Vandenberghe gratefully acknowledges the support of a Ph.D. stipend from the Institute for the Promotion of Innovation through Science and Technology in Flanders (IWT-Vlaanderen). ; |
Approved |
Most recent IF: 2.068; 2011 IF: 2.168 |
Call Number |
UA @ lucian @ c:irua:90808 |
Serial |
1325 |
Permanent link to this record |
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Author |
Nowak, M.P.; Szafran, B.; Peeters, F.M.; Partoens, B.; Pasek, W.J. |
Title |
Tuning of the spin-orbit interaction in a quantum dot by an in-plane magnetic field |
Type |
A1 Journal article |
Year |
2011 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
83 |
Issue |
24 |
Pages |
245324-245324,12 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
Using an exact-diagonalization approach we show that one- and two-electron InAs quantum dots exhibit an avoided crossing in the energy spectra that is induced by the spin-orbit coupling in the presence of an in-plane external magnetic field. The width of the avoided crossings depends strongly on the orientation of the magnetic field, which reveals the intrinsic anisotropy of the spin-orbit-coupling interactions. We find that for specific orientations of the magnetic field avoided crossings vanish. A value of this orientation can be used to extract the ratio of the strength of Rashba and Dresselhaus interactions. The spin-orbit anisotropy effects for various geometries and orientations of the confinement potential are discussed. Our analysis explains the physics behind the recent measurements performed on a gated self-assembled quantum dot [ S. Takahashi et al. Phys. Rev. Lett. 104 246801 (2010)]. |
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 ![sorted by Wos field, descending order (down)](img/sort_desc.gif) |
000292254000005 |
Publication Date |
2011-06-30 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.836 |
Times cited |
27 |
Open Access |
|
Notes |
; The authors thank S. Takahashi for helpful discussions. This work was supported by the “Krakow Interdisciplinary PhD Project in Nanoscience and Advanced Nanostructures” operated within the Foundation for Polish Science MPD Programme co-financed by the EU European Regional Development Fund, the Project No. N N202103938 supported by the Ministry of Science an Higher Education (MNiSW) for 2010-2013, and the Belgian Science Policy (IAP). W. J. P. has been partially supported by the EU Human Capital Operation Program, Polish Project No. POKL.04.0101-00-434/08-00. Calculations were performed in ACK-CYFRONET-AGH on the RackServer Zeus. ; |
Approved |
Most recent IF: 3.836; 2011 IF: 3.691 |
Call Number |
UA @ lucian @ c:irua:90923 |
Serial |
3755 |
Permanent link to this record |
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Author |
Neek-Amal, M.; Peeters, F.M. |
Title |
Lattice thermal properties of graphane : thermal contraction, roughness, and heat capacity |
Type |
A1 Journal article |
Year |
2011 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
83 |
Issue |
23 |
Pages |
235437-235437,6 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
Using atomistic simulations, we determine the roughness and the thermal properties of a suspended graphane sheet. As compared to graphene, we found that (i) hydrogenated graphene has a larger thermal contraction, (ii) the roughness exponent at room temperature is smaller, i.e., ≃ 1.0 versus ≃ 1.2 for graphene, (iii) the wavelengths of the induced ripples in graphane cover a wide range corresponding to length scales in the range 30125 Å at room temperature, and (iv) the heat capacity of graphane is estimated to be 29.32±0.23 J/mol K, which is 14.8% larger than that for graphene, i.e., 24.98±0.14 J/mol K. Above 1500 K, we found that graphane buckles when its edges are supported in the x-y plane. |
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 ![sorted by Wos field, descending order (down)](img/sort_desc.gif) |
000292253400011 |
Publication Date |
2011-06-30 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.836 |
Times cited |
42 |
Open Access |
|
Notes |
; This work was supported by the Flemish Science Foundation (FWO-Vl) and the Belgium Science Policy (IAP). ; |
Approved |
Most recent IF: 3.836; 2011 IF: 3.691 |
Call Number |
UA @ lucian @ c:irua:90921 |
Serial |
1803 |
Permanent link to this record |
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Author |
Chaves, A.; Komendová, L.; Milošević, M.V.; Andrade, J.S.; Farias, G.A.; Peeters, F.M. |
Title |
Conditions for nonmonotonic vortex interaction in two-band superconductors |
Type |
A1 Journal article |
Year |
2011 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
83 |
Issue |
21 |
Pages |
214523-214523,6 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
We describe a semianalytic approach to the two-band Ginzburg-Landau theory, which predicts the behavior of vortices in two-band superconductors. We show that the character of the short-range vortex-vortex interaction is determined by the sign of the normal domain-superconductor interface energy, in analogy with the conventional differentiation between type I and type II superconductors. However, we also show that the long-range interaction is determined by a modified Ginzburg-Landau parameter κ*, different from the standard κ of a bulk superconductor. This opens the possibility for nonmonotonic vortex-vortex interaction, which is temperature dependent, and can be further tuned by alterations of the material on the microscopic scale. |
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 ![sorted by Wos field, descending order (down)](img/sort_desc.gif) |
000292252300009 |
Publication Date |
2011-06-30 |
Series Editor |
|
Series Title |
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Abbreviated Series Title |
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Series Volume |
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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 |
46 |
Open Access |
|
Notes |
; Discussions with A. Moreira, A. Shanenko, R. Prozorov, and A. Golubov are gratefully acknowledged. This work was supported by the Flemish Science Foundation (FWO-Vl), the Belgian Science Policy (IAP), the bilateral project FWO-CNPq, CAPES, and PRONEX/CNPq/FUNCAP. ; |
Approved |
Most recent IF: 3.836; 2011 IF: 3.691 |
Call Number |
UA @ lucian @ c:irua:90922 |
Serial |
477 |
Permanent link to this record |
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|
|
Author |
Vodolazov, D.Y.; Peeters, F.M. |
Title |
Heating of quasiparticles driven by oscillations of the order parameter in short superconducting microbridges |
Type |
A1 Journal article |
Year |
2011 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
83 |
Issue |
22 |
Pages |
224523-224523,6 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
We predict heating of quasiparticles driven by order parameter oscillations in the resistive state of short superconducting microbridges. The finite relaxation time of the magnitude of the order parameter |Δ| and the dependence of the spectral functions both on |Δ| and the supervelocity Q are the origin of this effect. Our results are opposite to those of Aslamazov and Larkin [ Zh. Eks. Teor. Fiz. 70 1340 (1976)] and Schmid et al. [ Phys. Rev. B 21 5076 (1980)] where cooling of quasiparticles was found. |
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 ![sorted by Wos field, descending order (down)](img/sort_desc.gif) |
000292218200010 |
Publication Date |
2011-06-29 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
|
ISSN |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.836 |
Times cited |
4 |
Open Access |
|
Notes |
; This work was supported by the Russian Foundation for Basic Research, Russian Agency of Education under the Federal Target Programme “Scientific and educational personnel of innovative Russia in 2009-2013,” Flemish Science Foundation (FWO-Vl), and the Belgian Science Policy (IAP). ; |
Approved |
Most recent IF: 3.836; 2011 IF: 3.691 |
Call Number |
UA @ lucian @ c:irua:90924 |
Serial |
1415 |
Permanent link to this record |
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Author |
Hezareh, T.; Razavi, F.S.; Kremer, R.K.; Habermeier, H.-U.; Lebedev, O.I.; Kirilenko, D.; Van Tendeloo, G. |
Title |
Effect of PbZr0.52Ti0.48O3 thin layer on structure, electronic and magnetic properties of La0.65Sr0.35MnO3 and La0.65Ca0.30MnO3 thin-films |
Type |
A1 Journal article |
Year |
2011 |
Publication |
Journal of applied physics |
Abbreviated Journal |
J Appl Phys |
Volume |
109 |
Issue |
11 |
Pages |
113707,1-113707,8 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
Epitaxial thin film heterostructures of high dielectric PbZr<sub>1-x</sub>Ti<sub>x</sub>O<sub>3</sub> (PZT) and La<sub>1-x</sub>A<sub>x</sub>MnO<sub>3</sub> (A-divalent alkaline earth metals such as Sr (LSMO) and Ca (LCMO)) were grown on SrTiO<sub>3</sub> substrates and their structure, temperature dependence of electrical resistivity, and magnetization were investigated as a function of the thickness of the LSMO(LCMO) layer. The microstructures of the samples were analyzed by TEM. By applying an electric field across the PZT layer, we applied a ferrodistortive pressure on the manganite layer and studied the correlations between lattice distortion and electric transport and magnetic properties of the CMR materials. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
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Language |
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Wos ![sorted by Wos field, descending order (down)](img/sort_desc.gif) |
000292214700069 |
Publication Date |
2011-06-06 |
Series Editor |
|
Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
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Edition |
|
ISSN |
0021-8979; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.068 |
Times cited |
4 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 2.068; 2011 IF: 2.168 |
Call Number |
UA @ lucian @ c:irua:90964 |
Serial |
843 |
Permanent link to this record |
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Author |
Philippaerts, A.; Goossens, S.; Vermandel, W.; Tromp, M.; Turner, S.; Geboers, J.; Van Tendeloo, G.; Jacobs, P.A.; Sels, B.F. |
Title |
Design of Ru-zeolites for hydrogen-free production of conjugated linoleic acid |
Type |
A1 Journal article |
Year |
2011 |
Publication |
Chemsuschem |
Abbreviated Journal |
Chemsuschem |
Volume |
4 |
Issue |
6 |
Pages |
757-767 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
While conjugated vegetable oils are currently used as additives in the drying agents of oils and paints, they are also attractive molecules for making bio-plastics. Moreover, conjugated oils will soon be accepted as nutritional additives for functional food products. While current manufacture of conjugated vegetable oils or conjugated linoleic acids (CLAs) uses a homogeneous base as isomerisation catalyst, a heterogeneous alternative is not available today. This contribution presents the direct production of CLAs over Ru supported on different zeolites, varying in topology (ZSM-5, BETA, Y), Si/Al ratio and countercation (H+, Na+, Cs+). Ru/Cs-USY, with a Si/Al ratio of 40, was identified as the most active and selective catalyst for isomerisation of methyl linoleate (cis-9,cis-12 (C18:2)) to CLA at 165 °C. Interestingly, no hydrogen pre-treatment of the catalyst or addition of hydrogen donors is required to achieve industrially relevant isomerisation productivities, namely, 0.7 g of CLA per litre of solvent per minute. Moreover, the biologically most active CLA isomers, namely, cis-9,trans-11, trans-10,cis-12 and trans-9,trans-11, were the main products, especially at low catalyst concentrations. Ex situ physicochemical characterisation with CO chemisorption, extended X-ray absorption fine structure measurements, transmission electron microscopy analysis, and temperature-programmed oxidation reveals the presence of highly dispersed RuO2 species in Ru/Cs-USY(40). |
Address |
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Corporate Author |
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Thesis |
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Publisher |
|
Place of Publication |
Weinheim |
Editor |
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Language |
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Wos ![sorted by Wos field, descending order (down)](img/sort_desc.gif) |
000292214000009 |
Publication Date |
2011-04-20 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
|
Edition |
|
ISSN |
1864-5631; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
7.226 |
Times cited |
24 |
Open Access |
|
Notes |
Fwo |
Approved |
Most recent IF: 7.226; 2011 IF: 6.827 |
Call Number |
UA @ lucian @ c:irua:90352 |
Serial |
660 |
Permanent link to this record |