| Records |
| Author |
da Silva, A.L.C.; Candido, L.; Teixeira Rabelo, J.N.; Hai, G.-Q.; Peeters, F.M. |
| Title |
Anharmonic effects on thermodynamic properties of a graphene monolayer |
Type |
A1 Journal article |
Year  |
2014 |
Publication |
Europhysics letters |
Abbreviated Journal |
Epl-Europhys Lett |
| Volume |
107 |
Issue |
5 |
Pages |
56004 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
We extend the unsymmetrized self-consistent-field method (USF) for anharmonic crystals to layered non-Bravais crystals to investigate structural, dynamical and thermodynamic properties of a free-standing graphene monolayer. In this theory, the main anharmonicity of the crystal lattice has been included and the quantum corrections are taken into account in an h-expansion for the one-particle density matrix. The obtained result for the thermal expansion coefficient (TEC) of graphene shows a strong temperature dependence and agrees with experimental results by Bao et al. (Nat. Nanotechnol., 4 (2009) 562). The obtained value of TEC at room temperature (300 K) is -6.4 x 10(- 6) K- 1 and it becomes positive for T > T-alpha = 358K. We find that quantum effects are significant for T < 1000 K. The interatomic distance, effective amplitudes of the graphene lattice vibrations, adiabatic and isothermal bulk moduli, isobaric and isochoric heat capacities are also calculated and their temperature dependences are determined. Copyright (C) EPLA, 2014 |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
Paris |
Editor |
|
| Language |
|
Wos |
000341559900020 |
Publication Date |
2014-09-05 |
| Series Editor |
|
Series Title |
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Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0295-5075;1286-4854; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
1.957 |
Times cited |
23 |
Open Access |
|
| Notes |
; This research was supported by the Brazilian agencies CNPq, FAPEG and FAPESP, the Flemish Science Foundation (FWO-Vl) and the Methusalem Foundation of the Flemish Government. ; |
Approved |
Most recent IF: 1.957; 2014 IF: 2.095 |
| Call Number |
UA @ lucian @ c:irua:119289 |
Serial |
118 |
| Permanent link to this record |
| |
|
| |
| Author |
Mueller, K.; Krause, F.F.; Béché, A.; Schowalter, M.; Galioit, V.; Loeffler, S.; Verbeeck, J.; Zweck, J.; Schattschneider, P.; Rosenauer, A. |
| Title |
Atomic electric fields revealed by a quantum mechanical approach to electron picodiffraction |
Type |
A1 Journal article |
| Year |
2014 |
Publication |
Nature communications |
Abbreviated Journal |
Nat Commun |
| Volume |
5 |
Issue |
|
Pages |
5653 |
| Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
| Abstract |
By focusing electrons on probes with a diameter of 50 pm, aberration-corrected scanning transmission electron microscopy (STEM) is currently crossing the border to probing subatomic details. A major challenge is the measurement of atomic electric fields using differential phase contrast (DPC) microscopy, traditionally exploiting the concept of a field- induced shift of diffraction patterns. Here we present a simplified quantum theoretical interpretation of DPC. This enables us to calculate the momentum transferred to the STEM probe from diffracted intensities recorded on a pixel array instead of conventional segmented bright- field detectors. The methodical development yielding atomic electric field, charge and electron density is performed using simulations for binary GaN as an ideal model system. We then present a detailed experimental study of SrTiO3 yielding atomic electric fields, validated by comprehensive simulations. With this interpretation and upgraded instrumentation, STEM is capable of quantifying atomic electric fields and high-contrast imaging of light atoms. |
| 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 |
000347227700003 |
Publication Date |
2014-12-15 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
2041-1723; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
12.124 |
Times cited |
197 |
Open Access |
|
| Notes |
246791 COUNTATOMS; 278510 VORTEX; Hercules; 312483 ESTEEM2; esteem2ta; ECASJO; |
Approved |
Most recent IF: 12.124; 2014 IF: 11.470 |
| Call Number |
UA @ lucian @ c:irua:122835UA @ admin @ c:irua:122835 |
Serial |
166 |
| Permanent link to this record |
| |
|
| |
| Author |
Deng, S.; Verbruggen, S.W.; He, Z.; Cott, D.J.; Vereecken, P.M.; Martens, J.A.; Bals, S.; Lenaerts, S.; Detavernier, C. |
| Title |
Atomic layer deposition-based synthesis of photoactive TiO2 nanoparticle chains by using carbon nanotubes as sacrificial templates |
Type |
A1 Journal article |
| Year |
2014 |
Publication |
RSC advances |
Abbreviated Journal |
Rsc Adv |
| Volume |
4 |
Issue |
23 |
Pages |
11648-11653 |
| Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Sustainable Energy, Air and Water Technology (DuEL) |
| Abstract |
Highly ordered and self supported anatase TiO2 nanoparticle chains were fabricated by calcining conformally TiO2 coated multi-walled carbon nanotubes (MWCNTs). During annealing, the thin tubular TiO2 coating that was deposited onto the MWCNTs by atomic layer deposition (ALD) was transformed into chains of TiO2 nanoparticles ([similar]12 nm diameter) with an ultrahigh surface area (137 cm2 per cm2 of substrate), while at the same time the carbon from the MWCNTs was removed. Photocatalytic tests on the degradation of acetaldehyde proved that these forests of TiO2 nanoparticle chains are highly photoactive under UV light because of their well crystallized anatase 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 |
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Editor |
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| Language |
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Wos |
000332470000017 |
Publication Date |
2014-02-14 |
| 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 |
45 |
Open Access |
Not_Open_Access |
| Notes |
; The authors wish to thank the Research Foundation – Flanders (FWO) and UGENT-GOA-01G01513 for financial support. The authors acknowledge the European Research Council for funding under the European Union's Seventh Framework Programme (FP7/2007-2013)/ERC grant agreement no. 239865-COCOON and no. 246791-COUNTATOMS. JAM acknowledges the Flemish government for long-term structural funding (Methusalem). ; |
Approved |
Most recent IF: 3.108; 2014 IF: 3.840 |
| Call Number |
UA @ lucian @ c:irua:117298 |
Serial |
168 |
| Permanent link to this record |
| |
|
| |
| Author |
Dendooven, J.; Devloo-Casier, K.; Ide, M.; Grandfield; Kurttepeli; Ludwig, K.F.; Bals, S.; Van der Voort, P.; Detavernier, C. |
| Title |
Atomic layer deposition-based tuning of the pore size in mesoporous thin films studied by in situ grazing incidence small angle X-ray scattering |
Type |
A1 Journal article |
| Year |
2014 |
Publication |
Nanoscale |
Abbreviated Journal |
Nanoscale |
| Volume |
6 |
Issue |
24 |
Pages |
14991-14998 |
| Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
| Abstract |
Atomic layer deposition (ALD) enables the conformal coating of porous materials, making the technique suitable for pore size tuning at the atomic level, e.g., for applications in catalysis, gas separation and sensing. It is, however, not straightforward to obtain information about the conformality of ALD coatings deposited in pores with diameters in the low mesoporous regime (<10 nm). In this work, it is demonstrated that in situ synchrotron based grazing incidence small angle X-ray scattering (GISAXS) can provide valuable information on the change in density and internal surface area during ALD of TiO2 in a porous titania film with small mesopores (3-8 nm). The results are shown to be in good agreement with in situ X-ray fluorescence data representing the evolution of the amount of Ti atoms deposited in the porous film. Analysis of both datasets indicates that the minimum pore diameter that can be achieved by ALD is determined by the size of the Ti-precursor molecule. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
|
Place of Publication |
Cambridge |
Editor |
|
| Language |
|
Wos |
000345458200051 |
Publication Date |
2014-10-13 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
2040-3364;2040-3372; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
7.367 |
Times cited |
41 |
Open Access |
OpenAccess |
| Notes |
239865 Cocoon; 335078 Colouratom; Fwo; ECAS_Sara; (ROMEO:yellow; preprint:; postprint:restricted ; pdfversion:cannot); |
Approved |
Most recent IF: 7.367; 2014 IF: 7.394 |
| Call Number |
UA @ lucian @ c:irua:122227 |
Serial |
169 |
| Permanent link to this record |
| |
|
| |
| Author |
Jungbauer, M.; Huehn, S.; Egoavil, R.; Tan, H.; Verbeeck, J.; Van Tendeloo, G.; Moshnyaga, V. |
| Title |
Atomic layer epitaxy of Ruddlesden-Popper SrO(SrTiO3)n films by means of metalorganic aerosol deposition |
Type |
A1 Journal article |
| Year |
2014 |
Publication |
Applied physics letters |
Abbreviated Journal |
Appl Phys Lett |
| Volume |
105 |
Issue |
25 |
Pages |
251603 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
We report an atomic layer epitaxial growth of Ruddlesden-Popper (RP) thin films of SrO(SrTiO3)(n) (n = infinity, 2, 3, 4) by means of metalorganic aerosol deposition (MAD). The films are grown on SrTiO3(001) substrates by means of a sequential deposition of Sr-O/Ti-O-2 atomic monolayers, monitored in-situ by optical ellipsometry. X-ray diffraction and transmission electron microscopy (TEM) reveal the RP structure with n = 2-4 in accordance with the growth recipe. RP defects, observed by TEM in a good correlation with the in-situ ellipsometry, mainly result from the excess of SrO. Being maximal at the film/substrate interface, the SrO excess rapidly decreases and saturates after 5-6 repetitions of the SrO(SrTiO3)(4) block at the level of 2.4%. This identifies the SrTiO3 substrate surface as a source of RP defects under oxidizing conditions within MAD. Advantages and limitations of MAD as a solution-based and vacuum-free chemical deposition route were discussed in comparison with molecular beam epitaxy. (C) 2014 AIP Publishing LLC. |
| 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 |
|
Wos |
000346914000007 |
Publication Date |
2014-12-26 |
| 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 |
32 |
Open Access |
|
| Notes |
246102 IFOX; 278510 VORTEX; 246791 COUNTATOMS; Hercules; 312483 ESTEEM2; esteem2jra3 ECASJO; |
Approved |
Most recent IF: 3.411; 2014 IF: 3.302 |
| Call Number |
UA @ lucian @ c:irua:122830UA @ admin @ c:irua:122830 |
Serial |
172 |
| Permanent link to this record |
| |
|
| |
| Author |
Yalcin, A.O.; Fan, Z.; Goris, B.; Li, W.F.; Koster, R.S.; Fang, C.M.; van Blaaderen, A.; Casavola, M.; Tichelaar, F.D.; Bals, S.; Van Tendeloo, G.; Vlugt, T.J.H.; Vanmaekelbergh, D.; Zandbergen, H.W.; van Huis, M.A.; |
| Title |
Atomic resolution monitoring of cation exchange in CdSe-PbSe heteronanocrystals during epitaxial solid-solid-vapor growth |
Type |
A1 Journal article |
| Year |
2014 |
Publication |
Nano letters |
Abbreviated Journal |
Nano Lett |
| Volume |
14 |
Issue |
6 |
Pages |
3661-3667 |
| Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
| Abstract |
Here, we show a novel solidsolidvapor (SSV) growth mechanism whereby epitaxial growth of heterogeneous semiconductor nanowires takes place by evaporation-induced cation exchange. During heating of PbSe-CdSe nanodumbbells inside a transmission electron microscope (TEM), we observed that PbSe nanocrystals grew epitaxially at the expense of CdSe nanodomains driven by evaporation of Cd. Analysis of atomic-resolution TEM observations and detailed atomistic simulations reveals that the growth process is mediated by vacancies. |
| 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 |
Editor |
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| Language |
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Wos |
000337337100106 |
Publication Date |
2014-05-20 |
| Series Editor |
|
Series Title |
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Abbreviated Series Title |
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| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
1530-6984;1530-6992; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
12.712 |
Times cited |
42 |
Open Access |
OpenAccess |
| Notes |
262348 Esmi; Fwo; 246791 Countatoms; 335078 Colouratom; ECAS_Sara; (ROMEO:white; preprint:; postprint:restricted 12 months embargo; pdfversion:cannot); |
Approved |
Most recent IF: 12.712; 2014 IF: 13.592 |
| Call Number |
UA @ lucian @ c:irua:117027 |
Serial |
179 |
| Permanent link to this record |
| |
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| |
| Author |
Yusupov, M. |
| Title |
Atomic scale simulations for a better insight in plasma medicine |
Type |
Doctoral thesis |
| Year |
2014 |
Publication |
|
Abbreviated Journal |
|
| Volume |
|
Issue |
|
Pages |
|
| Keywords |
Doctoral thesis; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| Abstract |
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| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
Antwerpen |
Editor |
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| Language |
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Wos |
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Publication Date |
0000-00-00 |
| 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 |
|
ISBN |
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Additional Links |
UA library record |
| Impact Factor |
|
Times cited |
|
Open Access |
|
| Notes |
|
Approved |
Most recent IF: NA |
| Call Number |
UA @ lucian @ c:irua:117837 |
Serial |
188 |
| Permanent link to this record |
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| |
| Author |
Batuk, M.; Turner, S.; Abakumov, A.M.; Batuk, D.; Hadermann, J.; Van Tendeloo, G. |
| Title |
Atomic structure of defects in anion-deficient perovskite-based ferrites with a crystallographic shear structure |
Type |
A1 Journal article |
| Year |
2014 |
Publication |
Inorganic chemistry |
Abbreviated Journal |
Inorg Chem |
| Volume |
53 |
Issue |
4 |
Pages |
2171-2180 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
Crystallographic shear (CS) planes provide a new structure-generation mechanism in the anion-deficient perovskites containing lone-pair cations. Pb2Sr2Bi2Fe6O16, a new n = 6 representative of the AnBnO3n2 homologous series of the perovskite-based ferrites with the CS structure, has been synthesized using the solid-state technique. The structure is built of perovskite blocks with a thickness of four FeO6 octahedra spaced by double columns of FeO5 edge-sharing distorted tetragonal pyramids, forming 1/2[110](101)p CS planes (space group Pnma, a = 5.6690(2) Å, b = 3.9108(1) Å, c = 32.643(1) Å). Pb2Sr2Bi2Fe6O16 features a wealth of microstructural phenomena caused by the flexibility of the CS planes due to the variable ratio and length of the constituting fragments with {101}p and {001}p orientation. This leads to the formation of waves, hairpins, Γ-shaped defects, and inclusions of the hitherto unknown layered anion-deficient perovskites Bi2(Sr,Pb)Fe3O8.5 and Bi3(Sr,Pb)Fe4O11.5. Using a combination of diffraction, imaging, and spectroscopic transmission electron microscopy techniques this complex microstructure was fully characterized, including direct determination of positions, chemical composition, and coordination number of individual atomic species. The complex defect structure makes these perovskites particularly similar to the CS structures in ReO3-type oxides. The flexibility of the CS planes appears to be a specific feature of the Sr-based system, related to the geometric match between the SrO perovskite layers and the {100}p segments of the CS planes. |
| 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 |
000332144100039 |
Publication Date |
2014-01-30 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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| 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 |
6 |
Open Access |
|
| Notes |
Countatoms; FWO |
Approved |
Most recent IF: 4.857; 2014 IF: 4.762 |
| Call Number |
UA @ lucian @ c:irua:113507 |
Serial |
198 |
| Permanent link to this record |
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| |
| Author |
Li, K.; Béché, A.; Song, M.; Sha, G.; Lu, X.; Zhang, K.; Du, Y.; Ringer, S.P.; Schryvers, D. |
| Title |
Atomistic structure of Cu-containing \beta" precipitates in an Al-Mg-Si-Cu alloy |
Type |
A1 Journal article |
| Year |
2014 |
Publication |
Scripta materialia |
Abbreviated Journal |
Scripta Mater |
| Volume |
75 |
Issue |
|
Pages |
86-89 |
| Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
| Abstract |
The beta '' precipitates in a peak-aged Al-Mg-Si-Cu alloy were measured with an average composition of 28.6Al-38.7Mg-26.5Si-5.17Cu (at.%) using atom probe tomography. High-angle annular dark-field observations revealed that Cu incompletely substitutes for the Mg-1 and Si-3 columns, preferentially for one column in each pair of Si-3. Cu-free Si columns form a parallelogram-shaped network that constitutes the basis of subsequent precipitates in the system, with a = 0.37 nm, b = 0.38 nm, gamma = 113 degrees and c = 0.405 nm. (C) 2013 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
Oxford |
Editor |
|
| Language |
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Wos |
000331025200022 |
Publication Date |
2013-12-07 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
1359-6462; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.747 |
Times cited |
22 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 3.747; 2014 IF: 3.224 |
| Call Number |
UA @ lucian @ c:irua:115749 |
Serial |
201 |
| Permanent link to this record |
| |
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| |
| Author |
Abakumov, A.M.; Morozov, V.A.; Tsirlin, A.A.; Verbeeck, J.; Hadermann, J. |
| Title |
Cation ordering and flexibility of the BO42- tetrahedra in incommensurately modulated CaEu2(BO4)4 (B = Mo, W) scheelites |
Type |
A1 Journal article |
| Year |
2014 |
Publication |
Inorganic chemistry |
Abbreviated Journal |
Inorg Chem |
| Volume |
53 |
Issue |
17 |
Pages |
9407-9415 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
The factors mediating cation ordering in the scheelite-based molybdates and tungstates are discussed on the basis of the incommensurately modulated crystal structures of the CaEu2(BO4)(4) (B = Mo, W) red phosphors solved from high-resolution synchrotron powder X-ray diffraction data. Monoclinic CaEu2(WO4)(4) adopts a (3 + 1)-dimensionally modulated structure [superspace group I2/b(alpha beta 0)00, a = 5.238 73(1)A, b = 5.266 35(1) A, c = 11.463 19(9) A, gamma = 91.1511(2)degrees, q = 0.56153(6)a* + 0.7708(9)b*, R-F = 0.050, R-p = 0.069], whereas tetragonal CaEu2(MoO4)(4) is (3 + 2)-dimensionally modulated [superspace group I4(1)/ a(alpha beta 0)00(-beta alpha 0)00, a = 5.238 672(7) A, c = 11.548 43(2) A, q(1) = 035331(8)a* + 0.82068(9)b*, q(2) = -0.82068(9)a* + 0.55331(8)b*, R-F = 0.061, R-p = 0.082]. In both cases the modulation arises from the ordering of the Ca/Eu cations and the cation vacancies at the A-sublattice of the parent scheelite ABO(4) structure. The cation ordering is incomplete and better described with harmonic rather than with steplike occupational modulation functions. The structures respond to the variation of the effective charge and cation size at the A-position through the flexible geometry of the MoO42- and WO42- tetrahedra demonstrating an alternation of stretching the B-O bond lengths and bending the O-B-O bond angles. The tendency towards A-site cation ordering in scheelites is rationalized using the difference in ionic radii and concentration of the A-site vacancies as parameters and presented in the form of a structure map. |
| 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 |
000341229600068 |
Publication Date |
2014-08-21 |
| Series Editor |
|
Series Title |
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Abbreviated Series Title |
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| 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 |
48 |
Open Access |
|
| Notes |
Fwo G039211n |
Approved |
Most recent IF: 4.857; 2014 IF: 4.762 |
| Call Number |
UA @ lucian @ c:irua:119292UA @ admin @ c:irua:119292 |
Serial |
297 |
| Permanent link to this record |
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| |
| Author |
Stambula, S.; Gauquelin, N.; Bugnet, M.; Gorantla, S.; Turner, S.; Sun, S.; Liu, J.; Zhang, G.; Sun, X.; Botton, G.A. |
| Title |
Chemical structure of nitrogen-doped graphene with single platinum atoms and atomic clusters as a platform for the PEMFC electrode |
Type |
A1 Journal article |
| Year |
2014 |
Publication |
The journal of physical chemistry: C : nanomaterials and interfaces |
Abbreviated Journal |
J Phys Chem C |
| Volume |
118 |
Issue |
8 |
Pages |
3890-3900 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
A platform for producing stabilized Pt atoms and clusters through the combination of an N-doped graphene support and atomic layer deposition (ALD) for the Pt catalysts was investigated using transmission electron microscopy (TEM) and scanning transmission electron microscopy (STEM). It was determined, using imaging and spectroscopy techniques, that a wide range of N-dopant types entered the graphene lattice through covalent bonds without largely damaging its structure. Additionally and most notably, Pt atoms and atomic clusters formed in the absence of nanoparticles. This work provides a new strategy for experimentally producing stable atomic and subnanometer cluster catalysts, which can greatly assist the proton exchange membrane fuel cell (PEMFC) development by producing the ultimate surface area to volume ratio catalyst. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
|
Place of Publication |
Washington, D.C. |
Editor |
|
| Language |
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Wos |
000332188100004 |
Publication Date |
2014-02-12 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
1932-7447;1932-7455; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
4.536 |
Times cited |
57 |
Open Access |
|
| Notes |
Fwo |
Approved |
Most recent IF: 4.536; 2014 IF: 4.772 |
| Call Number |
UA @ lucian @ c:irua:115571 |
Serial |
352 |
| Permanent link to this record |
| |
|
| |
| Author |
Liakakos, N.; Gatel, C.; Blon, T.; Altantzis, T.; Lentijo-Mozo, S.; Garcia-Marcelot, C.; Lacroix, L.M.; Respaud, M.; Bals, S.; Van Tendeloo, G.; Soulantica, K. |
| Title |
CoFe nanodumbbells : synthesis, structure, and magnetic properties |
Type |
A1 Journal article |
| Year |
2014 |
Publication |
Nano letters |
Abbreviated Journal |
Nano Lett |
| Volume |
14 |
Issue |
5 |
Pages |
2747-2754 |
| Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
| Abstract |
We report the solution phase synthesis, the structural analysis, and the magnetic properties of hybrid nanostructures combining two magnetic metals. These nano-objects are characterized by a remarkable shape, combining Fe nanocubes on Co nanorods. The topological composition, the orientation relationship, and the growth steps have been studied by advanced electron microscopy techniques, such as HRTEM, electron tomography, and state-of-the-art 3-dimensional elemental mapping by EDX tomography. The soft iron nanocubes behave as easy nucleation centers that induce the magnetization reversal of the entire nanohybrid, leading to a drastic modification of the overall effective magnetic anisotropy. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
Washington |
Editor |
|
| Language |
|
Wos |
000336074800080 |
Publication Date |
2014-04-17 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
1530-6984;1530-6992; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
12.712 |
Times cited |
27 |
Open Access |
OpenAccess |
| Notes |
The authors thank the ANR for the project “Batmag”, the French national project EMMA (ANR12 BS10 013 01), the European Commission for the FP7 NAMDIATREAM project (EU NMP4-LA-2010-246479), and the METSA network for the HRTEM. This has received funding from the European Union Seventh Framework Programme under Grant Agreement 312483-ESTEEM2 (Integrated Infrastructure Initiative- I3). It was also supported by Programme Investissements d’Avenir under the program ANR-11-IDEX-0002-02, reference ANR-10-LABX-0037-NEXT. The authors acknowledge financial support from European Research Council (ERC Advanced Grant # 24691-COUNTATOMS and ERC Starting Grant # 335078-COLOURATOMS).; esteem2ta; ECASSara; (ROMEO:white; preprint:; postprint:restricted 12 months embargo; pdfversion:cannot); |
Approved |
Most recent IF: 12.712; 2014 IF: 13.592 |
| Call Number |
UA @ lucian @ c:irua:116953 |
Serial |
377 |
| Permanent link to this record |
| |
|
| |
| Author |
Croitoru, M.D.; Zachmann, M.; Vagov, A.; Axt, V.M.; Shanenko, A.A.; Kettmann, P.; Papenkort, T.; Kuhn, T. |
| Title |
Coherent dynamics of confinement-induced multiband superconductors |
Type |
A1 Journal article |
| Year |
2014 |
Publication |
Physica: C : superconductivity |
Abbreviated Journal |
Physica C |
| Volume |
503 |
Issue |
|
Pages |
183-186 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
We study the coherent dynamics of pairing in a nanoscale superconductor, that is intrinsically multiband, after an external perturbation in the non-adiabatic regime. The description of the dynamics of the pairing order is within the density-matrix approach based on the BCS model and the Bogoliubov-de Gennes equations. We find that for certain resonant wire widths the superconducting order parameter exhibits two oscillatory frequencies which are determined by the long-time asymptotic values of the subgaps. This in turn leads to a pronounced beating phenomenon. (C) 2014 Elsevier B.V. All rights reserved. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
Amsterdam |
Editor |
|
| Language |
|
Wos |
000340070600040 |
Publication Date |
2014-04-26 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0921-4534; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
1.404 |
Times cited |
1 |
Open Access |
|
| Notes |
; M.D.C. acknowledges the support from the Back to Belgium Grant of the federal Science Policy (BELSPO). ; |
Approved |
Most recent IF: 1.404; 2014 IF: 0.942 |
| Call Number |
UA @ lucian @ c:irua:118745 |
Serial |
378 |
| Permanent link to this record |
| |
|
| |
| Author |
Prodi, A.; Daoud-Aladine, A.; Gozzo, F.; Schmitt, B.; Lebedev, O.; Van Tendeloo, G.; Gilioli, E.; Bolzoni, F.; Aruga-Katori, H.; Takagi, H.; Marezio, M.; Gauzzi, A.; |
| Title |
Commensurate structural modulation in the charge- and orbitally ordered phase of the quadruple perovskite (NaMn3)Mn4O12 |
Type |
A1 Journal article |
| Year |
2014 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
| Volume |
90 |
Issue |
18 |
Pages |
180101 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
By means of synchrotron x-ray and electron diffraction, we studied the structural changes at the charge order transition T-CO = 176 K in the mixed-valence quadruple perovskite (NaMn3)Mn4O12. Below T-CO we find satellite peaks indicating a commensurate structural modulation with the same propagation vector q = ( 1/2,0,-1/2) of the CE magnetic structure that orders at low temperatures, similarly to the case of simple perovskites such as La0.5Ca0.5MnO3. In the present case, the modulated structure, together with the observation of a large entropy change at T-CO, gives evidence of a rare case of full Mn3+/Mn4+ charge and orbital order, consistent with the Goodenough-Kanamori model. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
000344915100001 |
Publication Date |
2014-11-10 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.836 |
Times cited |
11 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 3.836; 2014 IF: 3.736 |
| Call Number |
UA @ lucian @ c:irua:122097 |
Serial |
406 |
| Permanent link to this record |
| |
|
| |
| Author |
Vagov, A.; Glaessl, M.; Croitoru, M.D.; Axt, V.M.; Kuhn, T. |
| Title |
Competition between pure dephasing and photon losses in the dynamics of a dot-cavity system |
Type |
A1 Journal article |
| Year |
2014 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
| Volume |
90 |
Issue |
7 |
Pages |
075309 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
We demonstrate that in quantum-dot cavity systems, the interplay between acoustic phonons and photon losses introduces novel features and characteristic dependencies in the system dynamics. In particular, the combined action of both dephasing mechanisms strongly affects the transition from the weak-to the strong-coupling regime as well as the shape of the spectral triplet that represents the quantum-dot occupation in Fourier space. The width of the central peak in the triplet is expected to decrease with rising temperature, while the widths and heights of the side peaks depend nonmonotonically on the dot-cavity coupling. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
000341258700002 |
Publication Date |
2014-08-27 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.836 |
Times cited |
11 |
Open Access |
|
| Notes |
; We acknowledge fruitful discussions with A. Nazir which helped us to more clearly formulate the relation between our phenomenological approach and the microscopic theory. M.D.C. further acknowledges Alexander von Humboldt and BELSPO grants for support. Financial support from the Deutsche Forschungsgemeinschaft (Grant No. AX 17/7-1) is also gratefully acknowledged. ; |
Approved |
Most recent IF: 3.836; 2014 IF: 3.736 |
| Call Number |
UA @ lucian @ c:irua:119257 |
Serial |
437 |
| Permanent link to this record |
| |
|
| |
| Author |
Aghaei, M. |
| Title |
Computational study of inductively coupled plasma mass spectroscopy (ICP-MS) |
Type |
Doctoral thesis |
| Year |
2014 |
Publication |
|
Abbreviated Journal |
|
| Volume |
|
Issue |
|
Pages |
|
| Keywords |
Doctoral thesis; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| Abstract |
|
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
Antwerpen |
Editor |
|
| Language |
|
Wos |
|
Publication Date |
0000-00-00 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
|
ISBN |
978-90-5728-447-2 |
Additional Links |
UA library record |
| Impact Factor |
|
Times cited |
|
Open Access |
|
| Notes |
|
Approved |
Most recent IF: NA |
| Call Number |
UA @ lucian @ c:irua:117062 |
Serial |
457 |
| Permanent link to this record |
| |
|
| |
| Author |
Setareh, M. |
| Title |
Computational study of CH4 and CF4 conversion in presence of N2 and O2 in plasma discharges applied |
Type |
Doctoral thesis |
| Year |
2014 |
Publication |
|
Abbreviated Journal |
|
| Volume |
|
Issue |
|
Pages |
|
| Keywords |
Doctoral thesis; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| Abstract |
|
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
Antwerpen |
Editor |
|
| Language |
|
Wos |
|
Publication Date |
0000-00-00 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
|
ISBN |
|
Additional Links |
UA library record |
| Impact Factor |
|
Times cited |
|
Open Access |
|
| Notes |
|
Approved |
Most recent IF: NA |
| Call Number |
UA @ lucian @ c:irua:123902 |
Serial |
459 |
| Permanent link to this record |
| |
|
| |
| Author |
Miglio, A.; Saniz, R.; Waroquiers, D.; Stankovski, M.; Giantomassi, M.; Hautier, G.; Rignanese, G.-M.; Gonze, X. |
| Title |
Computed electronic and optical properties of SnO2 under compressive stress |
Type |
A1 Journal article |
| Year |
2014 |
Publication |
Optical materials |
Abbreviated Journal |
Opt Mater |
| Volume |
38 |
Issue |
|
Pages |
161-166 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
We consider the effects of three different types of applied compressive stress on the structural, electronic and optical properties of rutile SnO2. We use standard density functional theory (OFT) to determine the structural parameters. The effective masses and the electronic band gap, as well as their stress derivatives, are computed within both DFT and many-body perturbation theory (MBPT). The stress derivatives for the SnO2 direct band gap are determined to be 62, 38 and 25 meV/GPa within MBPT for applied hydrostatic, biaxial and uniaxial stress, respectively. Compared to DFT, this is a clear improvement with respect to available experimental data. We also estimate the exciton binding energies and their stress coefficients and compute the absorption spectrum by solving the Bethe-Salpeter equation. (C) 2014 Elsevier B.V. All rights reserved. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
Amsterdam |
Editor |
|
| Language |
|
Wos |
000346228800028 |
Publication Date |
2014-11-08 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0925-3467; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
2.238 |
Times cited |
6 |
Open Access |
|
| Notes |
; This work was supported by the FRS-FNRS through a FRIA grant (D.W.) and a FNRS grant (G.H.). This work was also supported by the IWT Project Number 080023 (ISIMADE), the Region Wallonne through WALL-ETSF project Number 816849, the EU-FP7 HT4TCOS Grant No. PCIG11-GA-2912-321988, the FRS-FNRS through contracts FRFC Number 2.4.589.09.F and AIXPHO (PDR Grant T-0238.13). The authors would like to thank Yann Pouillon and Jean-Michel Beuken for their valuable technical support and help with the test and build system of ABINIT. Computational resources have been provided by the supercomputing facilities of the Universite catholique de Louvain (CISM/UCL) and the Consortium des Equipements de Calcul Intensif en Federation Wallonie Bruxelles (CECI) funded by the Fonds de la Recherche Scientifique de Belgique (FRS-FNRS) under Grant No. 2.5020.11. ; |
Approved |
Most recent IF: 2.238; 2014 IF: 1.981 |
| Call Number |
UA @ lucian @ c:irua:122747 |
Serial |
460 |
| Permanent link to this record |
| |
|
| |
| Author |
Neyts, E.C.; Yusupov, M.; Verlackt, C.C.; Bogaerts, A. |
| Title |
Computer simulations of plasmabiomolecule and plasmatissue interactions for a better insight in plasma medicine |
Type |
A1 Journal article |
| Year |
2014 |
Publication |
Journal of physics: D: applied physics |
Abbreviated Journal |
J Phys D Appl Phys |
| Volume |
47 |
Issue |
29 |
Pages |
293001 |
| Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| Abstract |
Plasma medicine is a rapidly evolving multidisciplinary field at the intersection of chemistry, biochemistry, physics, biology, medicine and bioengineering. It holds great potential in medical, health care, dentistry, surgical, food treatment and other applications. This multidisciplinary nature and variety of possible applications come along with an inherent and intrinsic complexity. Advancing plasma medicine to the stage that it becomes an everyday tool in its respective fields requires a fundamental understanding of the basic processes, which is lacking so far. However, some major advances have already been made through detailed experiments over the last 15 years. Complementary, computer simulations may provide insight that is difficultif not impossibleto obtain through experiments. In this review, we aim to provide an overview of the various simulations that have been carried out in the context of plasma medicine so far, or that are relevant for plasma medicine. We focus our attention mostly on atomistic simulations dealing with plasmabiomolecule interactions. We also provide a perspective and tentative list of opportunities for future modelling studies that are likely to further advance the field. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
London |
Editor |
|
| Language |
|
Wos |
000338860300001 |
Publication Date |
2014-06-26 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0022-3727;1361-6463; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
2.588 |
Times cited |
28 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 2.588; 2014 IF: 2.721 |
| Call Number |
UA @ lucian @ c:irua:117853 |
Serial |
472 |
| Permanent link to this record |
| |
|
| |
| Author |
Hutter, E.M.; Bladt, E.; Goris, B.; Pietra, F.; van der Bok, J.C.; Boneschanscher, M.P.; de Donega, C.M.; Bals, S.; Vanmaekelbergh, D. |
| Title |
Conformal and atomic characterization of ultrathin CdSe platelets with a helical shape |
Type |
A1 Journal article |
| Year |
2014 |
Publication |
Nano letters |
Abbreviated Journal |
Nano Lett |
| Volume |
14 |
Issue |
11 |
Pages |
6257-6262 |
| Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
| Abstract |
Currently, ultrathin colloidal CdSe semiconductor nanoplatelets (NPLs) with a uniform thickness that is controllable up to the atomic scale can be prepared. The optical properties of these 2D semiconductor systems are the subject of extensive research. Here, we reveal their natural morphology and atomic arrangement. Using cryo-TEM (cryo-transmission electron microscopy), we show that the shape of rectangular NPLs in solution resembles a helix. Fast incorporation of these NPLs in silica preserves and immobilizes their helical shape, which allowed us to perform an in-depth study by high angle annular dark field scanning transmission electron microscopy (HAADF-STEM). Electron tomography measurements confirm and detail the helical shape of these systems. Additionally, high-resolution HAADF-STEM shows the thickness of the NPLs on the atomic scale and furthermore that these are consistently folded along a ?110? direction. The presence of a silica shell on both the top and bottom surfaces shows that Cd atoms must be accessible for silica precursor (and ligand) molecules on both sides. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
Washington |
Editor |
|
| Language |
|
Wos |
000345723800036 |
Publication Date |
2014-10-27 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
1530-6984 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
12.712 |
Times cited |
43 |
Open Access |
OpenAccess |
| Notes |
Dariusz Mitoraj, Hans Meeldijk, Relinde van Dijk-Moes, and Stephan Zevenhuizen are acknowledged for technical support and help with some experiments. The research leading to these results has received funding from the European Research Council under the European Union’s Seventh Framework Programme (FP/2007-2013)/ERC Grant Agreement no. 291667. The authors acknowledge financial support from FOM and NOW [FOM program Functional NanoParticle Solids (FNPS)]. S.B. acknowledges financial support from European Research Council (ERC Starting Grant #335078- COLOURATOMS). E.B. and B.G. gratefully acknowledge financial support by the Flemish Fund for Scientific Research (FWO Vlaanderen).; ECAS_Sara; (ROMEO:white; preprint:; postprint:restricted 12 months embargo; pdfversion:cannot); |
Approved |
Most recent IF: 12.712; 2014 IF: 13.592 |
| Call Number |
UA @ lucian @ c:irua:122209 |
Serial |
490 |
| Permanent link to this record |
| |
|
| |
| Author |
Niermann, T.; Verbeeck, J.; Lehmann, M. |
| Title |
Creating arrays of electron vortices |
Type |
A1 Journal article |
| Year |
2014 |
Publication |
Ultramicroscopy |
Abbreviated Journal |
Ultramicroscopy |
| Volume |
136 |
Issue |
|
Pages |
165-170 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
We demonstrate the production of an ordered array of electron vortices making use of an electron optical setup consisting of two electrostatic biprisms. The biprism filaments are oriented nearly orthogonal with respect to each other in a transmission electron microscope. Matching the position of the filaments, we can choose to form different topological features in the electron wave. We outline the working principle of the setup and demonstrate fist experimental results. This setup partially bridges the gap between angular momentum carried by electron spin, which is intrinsic and therefore present in any position of the wave, and angular momentum carried by the vortex character of the wave, which can be extrinsic depending on the axis around which it is measured. (C) 2013 Elsevier B.V. All rights reserved. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
Amsterdam |
Editor |
|
| Language |
|
Wos |
000327884700021 |
Publication Date |
2013-10-15 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0304-3991; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
2.843 |
Times cited |
9 |
Open Access |
|
| Notes |
FP7; Countatoms; Vortex ECASJO_; |
Approved |
Most recent IF: 2.843; 2014 IF: 2.436 |
| Call Number |
UA @ lucian @ c:irua:112837UA @ admin @ c:irua:112837 |
Serial |
538 |
| Permanent link to this record |
| |
|
| |
| Author |
Morozov, V.A.; Raskina, M.V.; Lazoryak, B.I.; Meert, K.W.; Korthout, K.; Smet, P.F.; Poelman, D.; Gauquelin, N.; Verbeeck, J.; Abakumov, A.M.; Hadermann, J.; |
| Title |
Crystal Structure and Luminescent Properties of R2-xEux(MoO4)(3) (R = Gd, Sm) Red Phosphors |
Type |
A1 Journal article |
| Year |
2014 |
Publication |
Chemistry of materials |
Abbreviated Journal |
Chem Mater |
| Volume |
26 |
Issue |
24 |
Pages |
7124-7136 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
The R-2(MoO4)(3) (R = rare earth elements) molybdates doped with Eu3+ cations are interesting red-emitting materials for display and solid-state lighting applications. The structure and luminescent properties of the R2-xEux(MoO4)(3) (R = Gd, Sm) solid solutions have been investigated as a function of chemical composition and preparation conditions. Monoclinic (alpha) and orthorhombic (beta') R2-xEux(MoO4)(3) (R = Gd, Sm; 0 <= x <= 2) modifications were prepared by solid-state reaction, and their structures were investigated using synchrotron powder X-ray diffraction and transmission electron microscopy. The pure orthorhombic beta'-phases could be synthesized only by quenching from high temperature to room temperature for Gd2-xEux(MoO4)(3) in the Eu3+-rich part (x > 1) and for all Sm2-xEux(MoO4)(3) solid solutions. The transformation from the alpha-phase to the beta'-phase results in a notable increase (similar to 24%) of the unit cell volume for all R2-xEux(MoO4)(3) (R = Sm, Gd) solid solutions. The luminescent properties of all R2-xEux(MoO4)(3) (R = Gd, Sm; 0 <= x <= 2) solid solutions were measured, and their optical properties were related to their structural properties. All R2-xEux(MoO4)(3) (R = Gd, Sm; 0 <= x <= 2) phosphors emit intense red light dominated by the D-5(0)-> F-7(2) transition at similar to 616 nm. However, a change in the multiplet splitting is observed when switching from the monoclinic to the orthorhombic structure, as a consequence of the change in coordination polyhedron of the luminescent ion from RO8 to RO7 for the alpha- and beta'-modification, respectively. The Gd2-xEux(MoO4)(3) solid solutions are the most efficient emitters in the range of 0 < x < 1.5, but their emission intensity is comparable to or even significantly lower than that of Sm2-xEux(MoO4)(3) for higher Eu3+ concentrations (1.5 <= x <= 1.75). Electron energy loss spectroscopy (EELS) measurements revealed the influence of the structure and element content on the number and positions of bands in the ultraviolet-visible-infrared regions of the EELS spectrum. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
000347139700027 |
Publication Date |
2014-11-27 |
| 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 |
Fwo G039211n; G004413n; 278510 Vortex ECASJO_; |
Approved |
Most recent IF: 9.466; 2014 IF: 8.354 |
| Call Number |
UA @ lucian @ c:irua:122829UA @ admin @ c:irua:122829 |
Serial |
558 |
| Permanent link to this record |
| |
|
| |
| Author |
van den Broek, B.; Houssa, M.; Pourtois, G.; Afanas'ev, V.V.; Stesmans, A. |
| Title |
Current-voltage characteristics of armchair Sn nanoribbons |
Type |
A1 Journal article |
| Year |
2014 |
Publication |
Physica status solidi: rapid research letters |
Abbreviated Journal |
Phys Status Solidi-R |
| Volume |
8 |
Issue |
11 |
Pages |
931-934 |
| Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| Abstract |
Two-dimensional group-IV lattices silicene and germanene are known to share many of graphene's remarkable mechanical and electronic properties. Due to the out-of-plane buckling of the former materials, there are more means of electronic funtionalization, e.g. by applying uniaxial strain or an out-of-plane electric field. We consider monolayer hexagonal Sn (stanene) as an ideal candidate to feasibly implement and exploit graphene physics for nanoelectronic applications: with increased out-of-plane buckling and sizable spin-orbit coupling it lends itself to improved Dirac cone engineering. We investigate the ballistic charge transport regime of armchair Sn nanoribbons, classified according to the ribbon width W = {3m – 1, 3m, 3m + 1} with integer m. We study transport through (non-magnetic) armchair ribbons using a combination of density functional theory and non-equilibrium Green's functions. Sn ribbons have earlier current onsets and carry currents 20% larger than C/Si/Ge-nanoribbons as the contact resistance of these ribbons is found to be comparable. ((c) 2014 WILEY-VCH Verlag GmbH &Co. KGaA, Weinheim) |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
Berlin |
Editor |
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| Language |
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Wos |
000345274300009 |
Publication Date |
2014-09-25 |
| 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 |
1862-6254; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.032 |
Times cited |
9 |
Open Access |
|
| Notes |
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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 |
Çakir, D.; Peeters, F.M. |
| Title |
Dependence of the electronic and transport properties of metal-MoSe2 interfaces on contact structures |
Type |
A1 Journal article |
| Year |
2014 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
| Volume |
89 |
Issue |
24 |
Pages |
245403 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
Transition metal dichalcogenides (TMDs) are considered as promising candidates for next generation of electronic and optoelectronic devices. To make use of these materials, for instance in field effect transistor applications, it is mandatory to know the detailed properties of contacts of such TMDs with metal electrodes. Here, we investigate the role of the contact structure on the electronic and transport properties of metal-MoSe2 interfaces. Two different contact types, namely face and edge contacts, are studied. We consider both low (Sc) and high (Au) work function metals in order to thoroughly elucidate the role of the metal work function and the type of metal. First principles plane wave calculations and transport calculations based on nonequilibrium Green's function formalism reveal that the contact type has a large impact on the electronic and transport properties of metal-MoSe2 interfaces. For the Sc electrode, the Schottky barrier heights are around 0.25 eV for face contact and bigger than 0.6 eV for edge contact. For the Au case, we calculate very similar barrier heights for both contact types with an average value of 0.5 eV. Furthermore, while the face contact is found to be highly advantageous as compared to the edge contact for the Sc electrode, the latter contact becomes a better choice for the Au electrode. Our findings provide guidelines for the fabrication of TMD-based devices. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
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Editor |
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| Language |
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Wos |
000336917700004 |
Publication Date |
2014-06-04 |
| 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 |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.836 |
Times cited |
39 |
Open Access |
|
| Notes |
; This work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem foundation of the Flemish government. Computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure), and HPC infrastructure of the University of Antwerp (CalcUA), a division of the Flemish Supercomputer Center (VSC), which is funded by the Hercules foundation. D. C. is supported by a FWO Pegasus-short Marie Curie Fellowship. ; |
Approved |
Most recent IF: 3.836; 2014 IF: 3.736 |
| Call Number |
UA @ lucian @ c:irua:117750 |
Serial |
644 |
| Permanent link to this record |
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| |
| Author |
Reynaud, M.; Rousse, G.; Abakumov, A.M.; Sougrati, M.T.; Van Tendeloo, G.; Chotard, J.-N.; Tarascon, J.-M. |
| Title |
Design of new electrode materials for Li-ion and Na-ion batteries from the bloedite mineral Na2Mg(SO4)2\cdot4H2O |
Type |
A1 Journal article |
| Year |
2014 |
Publication |
Journal of materials chemistry A : materials for energy and sustainability |
Abbreviated Journal |
J Mater Chem A |
| Volume |
2 |
Issue |
8 |
Pages |
2671-2680 |
| Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
| Abstract |
Mineralogy offers a large database to search for Li- or Na-based compounds having suitable structural features for acting as electrode materials, LiFePO4 being one example. Here we further explore this avenue and report on the electrochemical properties of the bloedite type compounds Na2M(SO4)(2)center dot 4H(2)O (M = Mg, Fe, Co, Ni, Zn) and their dehydrated phases Na2M(SO4)(2) (M = Fe, Co), whose structures have been solved via complementary synchrotron X-ray diffraction, neutron powder diffraction and transmission electron microscopy. Among these compounds, the hydrated and anhydrous iron-based phases show electrochemical activity with the reversible release/uptake of 1 Na+ or 1 Li+ at high voltages of similar to 3.3 V vs. Na+/Na-0 and similar to 3.6 V vs. Li+/Li-0, respectively. Although the reversible capacities remain lower than 100 mA h g(-1), we hope this work will stress further the importance of mineralogy as a source of inspiration for designing eco-efficient electrode materials. |
| 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 |
000331247500031 |
Publication Date |
2013-11-22 |
| 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 |
2050-7488;2050-7496; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
8.867 |
Times cited |
56 |
Open Access |
|
| Notes |
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Approved |
Most recent IF: 8.867; 2014 IF: 7.443 |
| Call Number |
UA @ lucian @ c:irua:115807 |
Serial |
659 |
| Permanent link to this record |
| |
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| |
| Author |
Gorlé, C.; Larsson, J.; Emory, M.; Iaccarino, G. |
| Title |
The deviation from parallel shear flow as an indicator of linear eddy-viscosity model inaccuracy |
Type |
A1 Journal article |
| Year |
2014 |
Publication |
Physics of fluids |
Abbreviated Journal |
Phys Fluids |
| Volume |
26 |
Issue |
5 |
Pages |
051702 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
A marker function designed to indicate in which regions of a generic flow field the results from linear eddy-viscosity turbulence models are plausibly inaccurate is introduced. The marker is defined to identify regions that deviate from parallel shear flow. For two different flow fields it is shown that these regions largely coincide with regions where the prediction of the Reynolds stress divergence is inaccurate. The marker therefore offers a guideline for interpreting results obtained from Reynolds-averaged Navier-Stokes simulations and provides a basis for the further development of turbulence model-form uncertainty quantification methods. (C) 2014 AIP Publishing LLC. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
Woodbury, N.Y. |
Editor |
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| Language |
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Wos |
000337103900002 |
Publication Date |
2014-05-15 |
| 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 |
1070-6631;1089-7666; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
2.232 |
Times cited |
19 |
Open Access |
|
| Notes |
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Approved |
Most recent IF: 2.232; 2014 IF: 2.031 |
| Call Number |
UA @ lucian @ c:irua:118385 |
Serial |
684 |
| Permanent link to this record |
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| |
| Author |
Borovinskaya, O.; Aghaei, M.; Flamigni, L.; Hattendorf, B.; Tanner, M.; Bogaerts, A.; Günther, D. |
| Title |
Diffusion- and velocity-driven spatial separation of analytes from single droplets entering an ICP off-axis |
Type |
A1 Journal article |
| Year |
2014 |
Publication |
Journal of analytical atomic spectrometry |
Abbreviated Journal |
J Anal Atom Spectrom |
| Volume |
29 |
Issue |
2 |
Pages |
262-271 |
| Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| Abstract |
The reproducible temporal separation of ion signals generated from a single multi-element droplet, observed in previous studies, was investigated in detail in this work using an ICPTOFMS with high temporal resolution. It was shown that the signal peak intensities of individual elements temporally shift relative to each other only for droplets moving through the plasma off-axis. The magnitude of these shifts correlated with the vaporization temperatures of the analytes and depended on the radial position of the droplets as well as on the thermal properties and velocity profiles of the carrier gases of the ICP. The occurrence of the signal shifting was explained by a spatial separation of analytes already present in the vapor phase in the ICP from a yet unvaporized residue of the droplet. This separation is most likely driven by anisotropic diffusion of vaporized analytes towards the plasma axis and a radial velocity gradient. The proposed explanation is supported by modeling of the gas velocities inside the ICP and imaging of the atomic and ionic emissions produced from single droplets, whose patterns were sloping towards the center of the torch. The effects observed in these studies are important not only for the fundamental understanding of analyteplasma interactions but have also a direct impact on the signal intensities and stability. |
| 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 |
000329934000006 |
Publication Date |
2013-11-02 |
| Series Editor |
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Series Title |
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Abbreviated Series Title |
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| Series Volume |
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Series Issue |
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Edition |
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| ISSN |
0267-9477;1364-5544; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.379 |
Times cited |
18 |
Open Access |
|
| Notes |
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Approved |
Most recent IF: 3.379; 2014 IF: 3.466 |
| Call Number |
UA @ lucian @ c:irua:112897 |
Serial |
697 |
| Permanent link to this record |
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| Author |
da Silva, R.M.; Milošević, M.V.; Dominguez, D.; Peeters, F.M.; Albino Aguiar, J. |
| Title |
Distinct magnetic signatures of fractional vortex configurations in multiband superconductors |
Type |
A1 Journal article |
| Year |
2014 |
Publication |
Applied physics letters |
Abbreviated Journal |
Appl Phys Lett |
| Volume |
105 |
Issue |
23 |
Pages |
232601 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
Vortices carrying fractions of a flux quantum are predicted to exist in multiband superconductors, where vortex core can split between multiple band-specific components of the superconducting condensate. Using the two-component Ginzburg-Landau model, we examine such vortex configurations in a two-band superconducting slab in parallel magnetic field. The fractional vortices appear due to the band-selective vortex penetration caused by different thresholds for vortex entry within each band-condensate, and stabilize near the edges of the sample. We show that the resulting fractional vortex configurations leave distinct fingerprints in the static measurements of the magnetization, as well as in ac dynamic measurements of the magnetic susceptibility, both of which can be readily used for the detection of these fascinating vortex states in several existing multiband superconductors. (C) 2014 AIP Publishing LLC. |
| 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 |
000346266000066 |
Publication Date |
2014-12-09 |
| 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 |
0003-6951;1077-3118; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.411 |
Times cited |
22 |
Open Access |
|
| Notes |
; This work was supported by the Brazilian science agencies CAPES (Grant No. PNPD 223038.003145/2011-00), CNPq (Grant Nos. 307552/2012-8, 141911/2012-3, and APV-4 02937/2013-9), and FACEPE (Grant Nos. APQ-0202-1.05/10 and BCT-0278-1.05/ 11), the Research Foundation Flanders (FWO-Vlaanderen), and by the CNPq-FWO cooperation programme (CNPq Grant No. 490297/2009-9). D.D. acknowledges support from CONICET, CNEA, and ANPCyT-PICT2011-1537. The authors thank A. A. Shanenko for extensive discussions on the topic. ; |
Approved |
Most recent IF: 3.411; 2014 IF: 3.302 |
| Call Number |
UA @ lucian @ c:irua:122775 |
Serial |
742 |
| Permanent link to this record |
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| Author |
Çakir, D.; Sahin, H.; Peeters, F.M. |
| Title |
Doping of rhenium disulfide monolayers : a systematic first principles study |
Type |
A1 Journal article |
| Year |
2014 |
Publication |
Physical chemistry, chemical physics |
Abbreviated Journal |
Phys Chem Chem Phys |
| Volume |
16 |
Issue |
31 |
Pages |
16771-16779 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
The absence of a direct-to-indirect band gap transition in ReS2 when going from the monolayer to bulk makes it special among the other semiconducting transition metal dichalcogenides. The functionalization of this promising layered material emerges as a necessity for the next generation technological applications. Here, the structural, electronic, and magnetic properties of substitutionally doped ReS2 monolayers at either the S or Re site were systematically studied by using first principles density functional calculations. We found that substitutional doping of ReS2 depends sensitively on the growth conditions of ReS2. Among the large number of non-metallic atoms, namely H, B, C, Se, Te, F, Br, Cl, As, P. and N, we identified the most promising candidates for n-type and p-type doping of ReS2. While Cl is an ideal candidate for n-type doping, P appears to be the most promising candidate for p-type doping of the ReS2 monolayer. We also investigated the doping of ReS2 with metal atoms, namely Mo, W, Ti, V. Cr, Co, Fe, Mn, Ni, Cu, Nb, Zn, Ru, Os and Pt. Mo, Nb, Ti, and V atoms are found to be easily incorporated in a single layer of ReS2 as substitutional impurities at the Re site for all growth conditions considered in this work. Tuning chemical potentials of dopant atoms energetically makes it possible to dope ReS2 with Fe, Co, Cr, Mn, W, Ru, and Os at the Re site. We observe a robust trend for the magnetic moments when substituting a Re atom with metal atoms such that depending on the electronic configuration of dopant atoms, the net magnetic moment of the doped ReS2 becomes either 0 or 1 mu(B). Among the metallic dopants, Mo is the best candidate for p-type doping of ReS2 owing to its favorable energetics and promising electronic properties. |
| 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 |
000340075700048 |
Publication Date |
2014-07-02 |
| Series Editor |
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Series Title |
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Abbreviated Series Title |
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| Series Volume |
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Series Issue |
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Edition |
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| ISSN |
1463-9076;1463-9084; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
4.123 |
Times cited |
58 |
Open Access |
|
| Notes |
; This work was supported by the Flemish Science Foundation (FWO-VI) and the Methusalem foundation of the Flemish government. Computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure), and HPC infrastructure of the University of Antwerp (CalcUA) a division of the Flemish Supercomputer Center (VSC), which is funded by the Hercules foundation. H.S. is supported by a FWO Pegasus-long Marie Curie Fellowship. D.C. is supported by a FWO Pegasus-short Marie Curie Fellowship. ; |
Approved |
Most recent IF: 4.123; 2014 IF: 4.493 |
| Call Number |
UA @ lucian @ c:irua:118742 |
Serial |
752 |
| Permanent link to this record |
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| Author |
Lubk, A.; Javon, E.; Cherkashin, N.; Reboh, S.; Gatel, C.; Hytch, M. |
| Title |
Dynamic scattering theory for dark-field electron holography of 3D strain fields |
Type |
A1 Journal article |
| Year |
2014 |
Publication |
Ultramicroscopy |
Abbreviated Journal |
Ultramicroscopy |
| Volume |
136 |
Issue |
|
Pages |
42-49 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
Dark-held electron holography maps strain in crystal lattices into reconstructed phases over large fields of view. Here we investigate the details of the lattice strain-reconstructed phase relationship by applying dynamic scattering theory both analytically and numerically. We develop efficient analytic linear projection rules for 3D strain fields, facilitating a straight-forward calculation of reconstructed phases from 3D strained materials. They are used in the following to quantify the influence of various experimental parameters like strain magnitude, specimen thickness, excitation error and surface relaxation. (C) 2013 Elsevier B.V. All rights reserved. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
Amsterdam |
Editor |
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| Language |
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Wos |
000327884700006 |
Publication Date |
2013-07-29 |
| 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 |
0304-3991; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
2.843 |
Times cited |
18 |
Open Access |
|
| Notes |
European Union under the Seventh Framework Program under a contract for an Integrated Infrastructure Initiative (Reference312483 – ESTEEM2); esteem2_jra4 |
Approved |
Most recent IF: 2.843; 2014 IF: 2.436 |
| Call Number |
UA @ lucian @ c:irua:112836 |
Serial |
766 |
| Permanent link to this record |
