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Records |
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Author |
Turner, S.; Shenderova, O.; da Pieve, F.; Lu, Y.-G.; Yücelen, E.; Verbeeck, J.; Lamoen, D.; Van Tendeloo, G. |
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Title |
Aberration-corrected microscopy and spectroscopy analysis of pristine, nitrogen containing detonation nanodiamond |
Type |
A1 Journal article |
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Year |
2013 |
Publication |
Physica status solidi : A : applications and materials science |
Abbreviated Journal |
Phys Status Solidi A |
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Volume |
210 |
Issue |
10 |
Pages |
1976-1984 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
Aberration-corrected transmission electron microscopy, electron energy-loss spectroscopy, and density functional theory (DFT) calculations are used to solve several key questions about the surface structure, the particle morphology, and the distribution and nature of nitrogen impurities in detonation nanodiamond (DND) cleaned by a recently developed ozone treatment. All microscopy and spectroscopy measurements are performed at a lowered acceleration voltage (80/120kV), allowing prolonged and detailed experiments to be carried out while minimizing the risk of knock-on damage or surface graphitization of the nanodiamond. High-resolution TEM (HRTEM) demonstrates the stability of even the smallest nanodiamonds under electron illumination at low voltage and is used to image the surface structure of pristine DND. High resolution electron energy-loss spectroscopy (EELS) measurements on the fine structure of the carbon K-edge of nanodiamond demonstrate that the typical * pre-peak in fact consists of three sub-peaks that arise from the presence of, amongst others, minimal fullerene-like reconstructions at the nanoparticle surfaces and deviations from perfect sp(3) coordination at defects in the nanodiamonds. Spatially resolved EELS experiments evidence the presence of nitrogen within the core of DND particles. The nitrogen is present throughout the whole diamond core, and can be enriched at defect regions. By comparing the fine structure of the experimental nitrogen K-edge with calculated energy-loss near-edge structure (ELNES) spectra from DFT, the embedded nitrogen is most likely related to small amounts of single substitutional and/or A-center nitrogen, combined with larger nitrogen clusters. |
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Place of Publication |
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Wos |
000329299700025 |
Publication Date |
2013-10-18 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1862-6300; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
1.775 |
Times cited |
37 |
Open Access |
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Notes |
262348 ESMI; 246791 COUNTATOMS; FWO; Hercules; GOA XANES meets ELNES |
Approved |
Most recent IF: 1.775; 2013 IF: 1.525 |
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Call Number |
UA @ lucian @ c:irua:110821UA @ admin @ c:irua:110821 |
Serial |
41 |
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Permanent link to this record |
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Author |
Retuerto, M.; Li, M.R.; Ignatov, A.; Croft, M.; Ramanujachary, K.V.; Chi, S.; Hodges, J.P.; Dachraoui, W.; Hadermann, J.; Tran, T.T.; Halasyamani, P.S.; Grams, C.P.; Hemberger, J.; Greenblatt, M.; |
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Title |
Polar and magnetic layered A-site and rock salt B-site-ordered NaLnFeWO6 (Ln = La, Nd) perovskites |
Type |
A1 Journal article |
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Year |
2013 |
Publication |
Inorganic chemistry |
Abbreviated Journal |
Inorg Chem |
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Volume |
52 |
Issue |
21 |
Pages |
12482-12491 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
We have expanded the double perovskite family of materials with the unusual combination of layered order in the A sublattice and rock salt order over the B sublattice to compounds NaLaFeWO6 and NaNdFeWO6. The materials have been synthesized and studied by powder X-ray diffraction, neutron diffraction, electron diffraction, magnetic measurements, X-ray absorption spectroscopy, dielectric measurements, and second harmonic generation. At room temperature, the crystal structures of both compounds can be defined in the noncentrosymmetric monoclinic P2(1) space group resulting from the combination of ordering both in the A and B sublattices, the distortion of the cell due to tilting of the octahedra, and the displacement of certain cations. The magnetic studies show that both compounds are ordered antiferromagnetically below T-N approximate to 25 K for NaLaFeWO6 and at similar to 21 K for NaNdFeWO6. The magnetic structure of NaNdFeWO6 has been solved with a propagation vector k = (1/2 0 1/2) as an antiferromagnetic arrangement of Fe and Nd moments. Although the samples are potential multiferroics, the dielectric measurements do not show a ferroelectric response. |
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Place of Publication |
Easton, Pa |
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Wos |
000326669200035 |
Publication Date |
2013-10-18 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0020-1669;1520-510X; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
4.857 |
Times cited |
17 |
Open Access |
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Notes |
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Approved |
Most recent IF: 4.857; 2013 IF: 4.794 |
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Call Number |
UA @ lucian @ c:irua:112714 |
Serial |
2656 |
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Permanent link to this record |
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Author |
Damm, H.; Kelchtermans, A.; Bertha, A.; Van den Broeck, F.; Elen, K.; Martins, J.C.; Carleer, R.; D'Haen, J.; De Dobbelaere, C.; Hadermann, J.; Hardy, A.; Van Bael, M.K.; |
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Title |
Thermal decomposition synthesis of Al-doped ZnO nanoparticles : an in-depth study |
Type |
A1 Journal article |
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Year |
2013 |
Publication |
RSC advances |
Abbreviated Journal |
Rsc Adv |
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Volume |
3 |
Issue |
45 |
Pages |
23745-23754 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
Al-doped ZnO nanoparticles are synthesized by means of a heating up solution based thermal decomposition method. The synthesis involves a reaction of zinc acetylacetonate hydrate, aluminium acetylacetonate and 1,2-hexadecanediol in the presence of oleic acid and oleyl amine. A proposed reaction mechanism from reagents to monomers is corroborated by analysis of the evolving gases using headspace GC-MS analysis. The Al-doped ZnO nanoparticles synthesized are dynamically stabilized by adsorbed oleate ions, after deprotonation of oleic acid by oleyl amine, as was found by NOESY proton NMR and complementary FTIR spectroscopy. Precession electron diffraction shows a simultaneous increase in lattice parameters with Al concentration. This, together with HAADF-STEM and EDX maps, indicates the incorporation of Al into the ZnO nanoparticles. By the combination of complementary characterization methods during all stages of the synthesis, it is concluded that Al is incorporated into the ZnO wurtzite lattice as a dopant. |
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Corporate Author |
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Thesis |
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Place of Publication |
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Wos |
000326395800139 |
Publication Date |
2013-10-18 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
2046-2069; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.108 |
Times cited |
10 |
Open Access |
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Notes |
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Approved |
Most recent IF: 3.108; 2013 IF: 3.708 |
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Call Number |
UA @ lucian @ c:irua:112753 |
Serial |
3627 |
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Permanent link to this record |
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Author |
Wang, X.; Li, K.; Schryvers, D.; Verlinden, B.; Van Humbeeck, J. |
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Title |
R-phase transition and related mechanical properties controlled by low-temperature aging treatment in a Ti50.8 at.% Ni thin wire |
Type |
A1 Journal article |
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Year |
2014 |
Publication |
Scripta materialia |
Abbreviated Journal |
Scripta Mater |
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Volume |
72-73 |
Issue |
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Pages |
21-24 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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Abstract |
A cold-drawn Ti50.8 at.% Ni wire was annealed at 600 °C for 30 min, followed by aging at 250 °C for different times. A microstructure with small grains and nanoscaled precipitates was obtained. The thermally induced martensite transformation is suppressed in the samples aged for 4 h or longer, leaving a one-stage R-phase transition between −150 and +150 °C. The transformation behavior, work output and recovery stress associated with the R-phase transition are presented. |
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Corporate Author |
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Publisher |
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Place of Publication |
Oxford |
Editor |
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Language |
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Wos |
000329148500006 |
Publication Date |
2013-10-17 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1359-6462; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.747 |
Times cited |
27 |
Open Access |
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Notes |
Fwo |
Approved |
Most recent IF: 3.747; 2014 IF: 3.224 |
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Call Number |
UA @ lucian @ c:irua:111847 |
Serial |
2806 |
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Permanent link to this record |
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Author |
Niermann, T.; Verbeeck, J.; Lehmann, M. |
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Title |
Creating arrays of electron vortices |
Type |
A1 Journal article |
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Year |
2014 |
Publication |
Ultramicroscopy |
Abbreviated Journal |
Ultramicroscopy |
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Volume |
136 |
Issue |
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Pages |
165-170 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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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. |
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Place of Publication |
Amsterdam |
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Language |
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Wos |
000327884700021 |
Publication Date |
2013-10-15 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0304-3991; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.843 |
Times cited |
9 |
Open Access |
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Notes |
FP7; Countatoms; Vortex ECASJO_; |
Approved |
Most recent IF: 2.843; 2014 IF: 2.436 |
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Call Number |
UA @ lucian @ c:irua:112837UA @ admin @ c:irua:112837 |
Serial |
538 |
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Permanent link to this record |
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Author |
Lizin, S.; Van Passel, S.; De Schepper, E.; Maes, W.; Lutsen, L.; Manca, J.; Vanderzande, D. |
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Title |
Life cycle analyses of organic photovoltaics : a review |
Type |
A1 Journal article |
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Year |
2013 |
Publication |
Energy & Environmental Science |
Abbreviated Journal |
Energ Environ Sci |
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Volume |
6 |
Issue |
11 |
Pages |
3136-3149 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Engineering Management (ENM) |
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Abstract |
This paper reviews the available life cycle analysis (LCA) literature on organic photovoltaics (OPVs). This branch of OPV research has focused on the environmental impact of single-junction bulk heterojunction polymer solar cells using a P3HT/PC60BM active layer blend processed on semi-industrial pilot lines in ambient surroundings. The environmental impact was found to be strongly decreasing through continuous innovation of the manufacturing procedures. The current top performing cell regarding environmental performance has a cumulative energy demand of 37.58 MJp m(-2) and an energy payback time in the order of months for cells having 2% efficiency, thereby rendering OPV cells one of the best performing PV technologies from an environmental point of view. Nevertheless, we find that LCA literature is lagging behind on the main body of OPV literature due to the lack of readily available input data. Still, LCA research has led us to believe that in the quest for higher efficiencies, environmental sustainability is being disregarded on the materials' side. Hence, we advise the scientific community to take the progress made on environmental sustainability aspects of OPV preparations into account not only because standard procedures put a bigger strain on the environment, but also because these methods may not be transferrable to an industrial process. Consequently, we recommend policy makers to subsidize research that bridges the gaps between fundamental materials research, stability, and scalability given that these constraints have to be fulfilled simultaneously if OPVs are ever to be successful on the market. Additionally, environmental sustainability will have to keep on being monitored to steer future developments in the right direction. |
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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 |
000325946400002 |
Publication Date |
2013-10-11 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1754-5692; 1754-5706 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
29.518 |
Times cited |
124 |
Open Access |
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Notes |
; The authors are much obliged to both the INTERREG ORGAN-EXT project and FP7 MOLESOL project for their financial support, without which it would have been impossible to conduct this research. ; |
Approved |
Most recent IF: 29.518; 2013 IF: 15.490 |
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Call Number |
UA @ admin @ c:irua:127548 |
Serial |
6223 |
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Permanent link to this record |
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Author |
Satyawali, Y.; Van Roy, S.; Roevens, A.; Meynen, V.; Mullens, S.; Jochems, P.; Doyen, W.; Cauwenberghs, L.; Dejonghe, W. |
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Title |
Characterization and analysis of the adsorption immobilization mechanism of \beta-galactosidase on metal oxide powders |
Type |
A1 Journal article |
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Year |
2013 |
Publication |
RSC advances |
Abbreviated Journal |
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Volume |
3 |
Issue |
46 |
Pages |
24054-24062 |
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Keywords |
A1 Journal article; Laboratory of adsorption and catalysis (LADCA); Sustainable Energy, Air and Water Technology (DuEL) |
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Abstract |
Immobilization of the enzymes plays a vital role in enhancing their applicability in a wide range of applications, thus ensuring the use of sustainable enzymatic processes over the conventional chemical processes on an industrial scale. This study provides the background information for the selection and screening of inorganic metal oxide (MO) powders for their use as fillers in mixed matrix membranes for enzyme immobilization as the future aim. A total of 13 MOs, ranging in size from 0.01 μm to <5 μm, were tested for their performance as a support for enzyme (β-galactosidase) immobilization via adsorption. Alumina appeared to be the best performing MO with the amount and activity of the immobilized enzyme being 64 mg g−1 and up to 288 U g−1, respectively. The amount of immobilized enzyme on alumina (α-Al2O3 C and γ-Al2O3) was >3 times higher than ZrO2 (used as a reference MO in this study). Upon heat treatment at 900 °C, up to 15%, 52% and 42% decline was observed in the amount of immobilized enzyme in case of alumina metal oxides (MOs), ZrO2 and TiO2, respectively. The results suggested that both isoelectric point and surface area of the MO influence the immobilization. The most important observation in this study was that the bonding of the enzyme to the MO surface seems to be mediated by the bonding/interaction of the buffer to the enzyme. |
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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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Wos |
000326745100030 |
Publication Date |
2013-10-11 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
2046-2069 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
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Times cited |
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Open Access |
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Notes |
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Approved |
no |
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Call Number |
UA @ admin @ c:irua:111300 |
Serial |
7607 |
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Permanent link to this record |
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Author |
Geukens, I.; Vermoortele, F.; Meledina, M.; Turner, S.; Van Tendeloo, G.; De Vos, D.E. |
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Title |
Ag nanoparticles on mixed Al2O3-Ga2O3 supports as catalysts for the N-alkylation of amines with alcohols |
Type |
A1 Journal article |
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Year |
2014 |
Publication |
Applied catalysis : A : general |
Abbreviated Journal |
Appl Catal A-Gen |
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Volume |
469 |
Issue |
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Pages |
373-379 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
The combination of AgNO3 with NaH results in Ag nanoparticles that can selectively perform alcohol aminations under mild reaction conditions (110 °C). NaH not only serves as a reducing agent for the Ag salt, but also activates the alcohol for dehydrogenation to the corresponding ketone/aldehyde. The stability of the particles can be improved by immobilizing them onto mixed Al2O3Ga2O3 supports; the combination of Ga and Al provides materials with stronger Lewis acidic sites compared to pure alumina or gallium oxide supports. This leads to catalysts with enhanced activities, without the necessity of adding external Lewis acids. Detailed TEM characterization also reveals a close interaction between the Ag NPs and the gallium oxide phase. The obtained catalysts are recyclable and show activity for the alcohol amination using a variety of aliphatic and aromatic amines under mild conditions. |
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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 |
000329266500045 |
Publication Date |
2013-10-10 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0926-860X; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
4.339 |
Times cited |
24 |
Open Access |
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Notes |
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Approved |
Most recent IF: 4.339; 2014 IF: 3.942 |
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Call Number |
UA @ lucian @ c:irua:111095 |
Serial |
83 |
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Permanent link to this record |
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Author |
Gou, H.; Dubrovinskaia, N.; Bykova, E.; Tsirlin, A.A.; Kasinathan, D.; Schnelle, W.; Richter, A.; Merlini, M.; Hanfland, M.; Abakumov, A.M.; Batuk, D.; Van Tendeloo, G.; Nakajima, Y.; Kolmogorov, A.N.; Dubrovinsky, L.; |
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Title |
Discovery of a superhard iron tetraboride superconductor |
Type |
A1 Journal article |
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Year |
2013 |
Publication |
Physical review letters |
Abbreviated Journal |
Phys Rev Lett |
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Volume |
111 |
Issue |
15 |
Pages |
157002-157005 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
Single crystals of novel orthorhombic (space group Pnnm) iron tetraboride FeB4 were synthesized at pressures above 8 GPa and high temperatures. Magnetic susceptibility and heat capacity measurements demonstrate bulk superconductivity below 2.9 K. The putative isotope effect on the superconducting critical temperature and the analysis of specific heat data indicate that the superconductivity in FeB4 is likely phonon mediated, which is rare for Fe-based superconductors. The discovered iron tetraboride is highly incompressible and has the nanoindentation hardness of 62(5) GPa; thus, it opens a new class of highly desirable materials combining advanced mechanical properties and superconductivity. |
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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 |
000325371500011 |
Publication Date |
2013-10-09 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0031-9007;1079-7114; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
8.462 |
Times cited |
127 |
Open Access |
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Notes |
Countatoms |
Approved |
Most recent IF: 8.462; 2013 IF: 7.728 |
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Call Number |
UA @ lucian @ c:irua:110820 |
Serial |
729 |
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Permanent link to this record |
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Author |
Zhang, L.-F.; Covaci, L.; Milošević, M.V.; Berdiyorov, G.R.; Peeters, F.M. |
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Title |
Vortex states in nanoscale superconducting squares : the influence of quantum confinement |
Type |
A1 Journal article |
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Year |
2013 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
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Volume |
88 |
Issue |
14 |
Pages |
144501 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Bogoliubov-de Gennes theory is used to investigate the effect of the size of a superconducting square on the vortex states in the quantum confinement regime. When the superconducting coherence length is comparable to the Fermi wavelength, the shape resonances of the superconducting order parameter have strong influence on the vortex configuration. Several unconventional vortex states, including asymmetric ones, giant-multivortex combinations, and states comprising giant antivortices, were found as ground states and their stability was found to be very sensitive on the value of k(F)xi(0), the size of the sample W, and the magnetic flux Phi. By increasing the temperature and/or enlarging the size of the sample, quantum confinement is suppressed and the conventional mesoscopic vortex states as predicted by the Ginzburg-Laudau (GL) theory are recovered. However, contrary to the GL results we found that the states containing symmetry-induced vortex-antivortex pairs are stable over the whole temperature range. It turns out that the inhomogeneous order parameter induced by quantum confinement favors vortex-antivortex molecules, as well as giant vortices with a rich structure in the vortex core-unattainable in the GL domain. |
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Corporate Author |
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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 |
000325498300004 |
Publication Date |
2013-10-09 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1098-0121;1550-235X; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.836 |
Times cited |
19 |
Open Access |
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Notes |
; This work was supported by the Flemish Science Foundation (FWO-Vlaanderen) and Methusalem Funding of the Flemish government. ; |
Approved |
Most recent IF: 3.836; 2013 IF: 3.664 |
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Call Number |
UA @ lucian @ c:irua:111145 |
Serial |
3891 |
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Permanent link to this record |
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Author |
Carraro, G.; Maccato, C.; Gasparotto, A.; Montini, T.; Turner, S.; Lebedev, O.I.; Gombac, V.; Adami, G.; Van Tendeloo, G.; Barreca, D.; Fornasiero, P.; |
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Title |
Enhanced hydrogen production by photoreforming of renewable oxygenates through nanostructured Fe2O3 polymorphs |
Type |
A1 Journal article |
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Year |
2014 |
Publication |
Advanced functional materials |
Abbreviated Journal |
Adv Funct Mater |
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Volume |
24 |
Issue |
3 |
Pages |
372-378 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
Sunlight-driven hydrogen production via photoreforming of aqueous solutions containing renewable compounds is an attractive option for sustainable energy generation with reduced carbon footprint. Nevertheless, the absence of photocatalysts combining high efficiency and stability upon solar light activation has up to date strongly hindered the development of this technology. Herein, two scarcely investigated iron(III) oxide polymorphs, β- and ε-Fe2O3, possessing a remarkable activity in sunlight-activated H2 generation from aqueous solutions of renewable oxygenates (i.e., ethanol, glycerol, glucose) are reported. For β-Fe2O3 and ε-Fe2O3, H2 production rates up to 225 and 125 mmol h−1 m−2 are obtained, with significantly superior performances with respect to the commonly investigated α-Fe2O3. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Weinheim |
Editor |
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Language |
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Wos |
000332832500011 |
Publication Date |
2013-10-08 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1616-301X; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
12.124 |
Times cited |
95 |
Open Access |
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Notes |
Countatoms; Hercules; Fwo |
Approved |
Most recent IF: 12.124; 2014 IF: 11.805 |
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Call Number |
UA @ lucian @ c:irua:113090 |
Serial |
1051 |
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Permanent link to this record |
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Author |
Carraro, G.; Maccato, C.; Bontempi, E.; Gasparotto, A.; Lebedev, O.I.; Turner, S.; Depero, L.E.; Van Tendeloo, G.; Barreca, D. |
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Title |
Insights on growth and nanoscopic investigation of uncommon iron oxide polymorphs |
Type |
A1 Journal article |
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Year |
2013 |
Publication |
European journal of inorganic chemistry |
Abbreviated Journal |
Eur J Inorg Chem |
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Volume |
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Issue |
31 |
Pages |
5454-5461 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
Si(100)-supported Fe2O3 nanomaterials were developed by a chemical vapor deposition (CVD) approach. The syntheses, which were performed at temperatures between 400 and 550 °C, selectively yielded the scarcely studied β- and ϵ-Fe2O3 polymorphs under O2 or O2 + H2O reaction environments, respectively. Correspondingly, the observed morphology underwent a progressive evolution from interconnected nanopyramids to vertically aligned nanorods. The present study aims to provide novel insights into Fe2O3 nano-organization by a systematic investigation of the system structure/morphology and of their interrelations with growth conditions. In particular, for the first time, the β- and ϵ-Fe2O3 preparation process has been accompanied by a thorough multitechnique investigation, which, beyond X-ray photoelectron spectroscopy (XPS) and field-emission scanning electron microscopy (FESEM), is carried out by X-ray diffraction (XRD), energy-dispersive X-ray spectroscopy (EDXS), atomic force microscopy (AFM), high-resolution transmission electron microscopy (HRTEM), electron diffraction (ED), scanning TEM electron energy-loss spectroscopy (STEM-EELS), and high-angle annular dark-field STEM (HAADF-STEM). Remarkably, the target materials showed a high structural and compositional homogeneity throughout the whole thickness of the nanodeposit. In particular, spatially resolved EELS chemical maps through the spectrum imaging (SI) technique enabled us to gain important information on the local Fe coordination, which is of crucial importance in determining the system reactivity. The described preparation method is in fact a powerful tool to simultaneously tailor phase composition and morphology of iron(III) oxide nanomaterials, the potential applications of which include photocatalysis, magnetic devices, gas sensors, and anodes for Li-ion batteries. |
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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 |
Weinheim |
Editor |
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Language |
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Wos |
000330567000009 |
Publication Date |
2013-10-08 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1434-1948; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.444 |
Times cited |
18 |
Open Access |
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Notes |
Fwo; Countatoms |
Approved |
Most recent IF: 2.444; 2013 IF: 2.965 |
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Call Number |
UA @ lucian @ c:irua:110946 |
Serial |
1676 |
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Permanent link to this record |
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Author |
Filippousi, M.; Altantzis, T.; Stefanou, G.; Betsiou, M.; Bikiaris, D.N.; Angelakeris, M.; Pavlidou, E.; Zamboulis, D.; Van Tendeloo, G. |
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Title |
Polyhedral iron oxide coreshell nanoparticles in a biodegradable polymeric matrix : preparation, characterization and application in magnetic particle hyperthermia and drug delivery |
Type |
A1 Journal article |
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Year |
2013 |
Publication |
RSC advances |
Abbreviated Journal |
Rsc Adv |
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Volume |
3 |
Issue |
46 |
Pages |
24367-24377 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
Polyhedral magnetic iron oxide nanocrystals with multiple facets have been embedded in biocompatible and biodegradable polymeric matrices in order to study their structural, magnetic features and alternating-current (AC) magnetic heating efficiency. The encapsulation of iron oxide nanoparticles into a polymer matrix was confirmed by transmission electron microscopy and further corroborated by high angle annular dark field scanning transmission electron microscopy (HAADF-STEM). HAADF-STEM tomography proved that the iron oxide nanocrystals consist of well-defined polyhedral structures with multiple facets. The magnetic features were found to be in good agreement with the structural and morphological features and are maintained even after encapsulation. Furthermore, the magnetic nanoparticles inside these matrices may be considered as good candidates for biomedical applications in hyperthermia treatments because of their high heating capacity exhibited under an alternating magnetic field. The anticancer Taxol drug was encapsulated in these nanoparticles and its physical state and release rate at 37 and 42 °C was studied. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000326745100068 |
Publication Date |
2013-10-07 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
2046-2069; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.108 |
Times cited |
19 |
Open Access |
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Notes |
Countatoms; IAP |
Approved |
Most recent IF: 3.108; 2013 IF: 3.708 |
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Call Number |
UA @ lucian @ c:irua:111395 |
Serial |
2671 |
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Permanent link to this record |
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Author |
Baken, S.; Sjostedt, C.; Gustafsson, J.P.; Seuntjens, P.; Desmet, N.; De Schutter, J.; Smolders, E. |
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Title |
Characterisation of hydrous ferric oxides derived from iron-rich groundwaters and their contribution to the suspended sediment of streams |
Type |
A1 Journal article |
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Year |
2013 |
Publication |
Applied geochemistry |
Abbreviated Journal |
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Volume |
39 |
Issue |
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Pages |
59-68 |
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Keywords |
A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL) |
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Abstract |
When Fe(II) bearing groundwaters surface in streams, particulate authigenic Fe-rich material is produced by oxidation. Such freshly precipitated Fe minerals may be transported as suspended sediment and have a profound impact on the fate of trace metals and nutrients in rivers. The objective of this study was to monitor changes in mineralogy and composition of authigenic material from its source to streams of increasing order. Groundwaters, surface waters, and suspended sediment in streams of different order were sampled in the Kleine Nete catchment (Belgium), a lowland with Fe-rich groundwaters (3.5-53.8 mg Fe/L; pH 6.3-6.9). Fresh authigenic material (>0.45 mu m) was produced by oxidising filtered (<0.45 mu m) groundwater and surface water. This material contained, on average, 44% Fe, and smaller concentrations of C, P, and Ca. Iron EXAFS (Extended X-ray Absorption Fine Structure) spectroscopy showed that the Fe was present as poorly crystalline hydrous ferric oxides with a structure similar to that of ferrihydrite. The Fe concentration in the suspended sediment samples decreased to 36-40% (stream order 2), and further to 18-26% (stream order 4 and 5). Conversely, the concentrations of organic C, Ca, Si, and trace metals increased with increasing stream order, suggesting mixing of authigenic material with suspended sediment from a different source. The Fe speciation in the suspended sediment was similar to that in fresh authigenic material, but more Fe-Fe interactions were observed, i.e. it was increasingly hydrolysed, suggesting ageing reactions. The suspended sediment in the streams of order 4 and 5 is estimated to contain between 31% and 59% of authigenic material, but more data are needed to refine this estimate. The authigenic material is an important sink for P in these streams which may alleviate the eutrophication risk in this catchment. (C) 2013 Elsevier Ltd. All rights reserved. |
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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 |
000327488700007 |
Publication Date |
2013-10-05 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0883-2927 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
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Times cited |
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Open Access |
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Notes |
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Approved |
no |
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Call Number |
UA @ admin @ c:irua:112769 |
Serial |
7595 |
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Permanent link to this record |
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Author |
Marikutsa, A.V.; Rumyantseva, M.N.; Frolov, D.D.; Morozov, I.V.; Boltalin, A.I.; Fedorova, A.A.; Petukhov, I.A.; Yashina, L.V.; Konstantinova, E.A.; Sadovskaya, E.M.; Abakumov, A.M.; Zubavichus, Y.V.; Gaskov, A.M.; |
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Title |
Role of PdOx and RuOy clusters in oxygen exchange between nanocrystalline tin dioxide and the gas phase |
Type |
A1 Journal article |
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Year |
2013 |
Publication |
The journal of physical chemistry: C : nanomaterials and interfaces |
Abbreviated Journal |
J Phys Chem C |
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Volume |
117 |
Issue |
45 |
Pages |
23858-23867 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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Abstract |
The effect of palladium- and ruthenium-based clusters on nanocrystalline tin dioxide interaction with oxygen was studied by temperature-programmed oxygen isotopic exchange with mass-spectrometry detection. The modification of aqueous sol-gel prepared SnO2 by palladium and, to a larger extent, by ruthenium, increases surface oxygen concentration on the materials. The revealed effects on oxygen exchange-lowering the threshold temperature, separation of surface oxygen contribution to the process, increase of heteroexchange rate and oxygen diffusion coefficient, decrease of activation energies of exchange and diffusion-were more intensive for Ru-modified SnO2 than in the case of SnO2/Pd. The superior promoting activity of ruthenium on tin dioxide interaction with oxygen was interpreted by favoring the dissociative O-2 adsorption and increasing the oxygen mobility, taking into account the structure and chemical composition of the modifier clusters. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Washington, D.C. |
Editor |
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Language |
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Wos |
000327110500046 |
Publication Date |
2013-10-04 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1932-7447;1932-7455; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
4.536 |
Times cited |
20 |
Open Access |
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Notes |
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Approved |
Most recent IF: 4.536; 2013 IF: 4.835 |
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Call Number |
UA @ lucian @ c:irua:112706 |
Serial |
2924 |
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Permanent link to this record |
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Author |
Anaf, W.; Janssens, K.; De Wael, K. |
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Title |
Formation of metallic mercury during photodegradation/photodarkening of \alpha-HgS : electrochemical evidence |
Type |
A1 Journal article |
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Year |
2013 |
Publication |
Angewandte Chemie: international edition in English |
Abbreviated Journal |
Angew Chem Int Edit |
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Volume |
52 |
Issue |
48 |
Pages |
12568-12571 |
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Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Abstract |
Das rote Pigment α-HgS neigt in Gegenwart von Licht und Chloridionen zur Schwärzung. Als Grund für die Zersetzung und Entfärbung werden die Bildung von (schwarzem) β-HgS oder Quecksilbermetall vermutet, doch diese Substanzen wurden noch nicht auf natürlich oder künstlich zersetzter HgS-Farbe nachgewiesen. Elektrochemische Experimente belegen nun die Bildung von Quecksilbermetall in Gegenwart von Licht und Chloridionen. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000327582900015 |
Publication Date |
2013-10-04 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1433-7851; 0570-0833 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
11.994 |
Times cited |
19 |
Open Access |
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Notes |
; The authors acknowledge L. Klaassen for valuable discussions and providing samples. We acknowledge financial support from the SDD programme (S2-ART project) of the Belgian Federal Goverment. ; |
Approved |
Most recent IF: 11.994; 2013 IF: 11.336 |
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Call Number |
UA @ admin @ c:irua:111265 |
Serial |
5626 |
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Permanent link to this record |
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Author |
Carraro, G.; Gasparotto, A.; Maccato, C.; Bontempi, E.; Lebedev, O.I.; Turner, S.; Sada, C.; Depero, L.E.; Van Tendeloo, G.; Barreca, D. |
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Title |
Fluorine doped Fe2O3 nanostructures by a one-pot plasma-assisted strategy |
Type |
A1 Journal article |
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Year |
2013 |
Publication |
RSC advances |
Abbreviated Journal |
Rsc Adv |
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Volume |
3 |
Issue |
45 |
Pages |
23762-23768 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
The present work reports on the synthesis of fluorine doped Fe2O3 nanomaterials by a single-step plasma enhanced-chemical vapor deposition (PE-CVD) strategy. In particular, Fe(hfa)2TMEDA (hfa = 1,1,1,5,5,5-hexafluoro-2,4-pentanedionate; TMEDA = N,N,N′,N′-tetramethylethylenediamine) was used as molecular source for both Fe and F in Ar/O2 plasmas. The structure, morphology and chemical composition of the synthesized nanosystems were thoroughly analyzed by two-dimensional X-ray diffraction (XRD2), field emission-scanning electron microscopy (FE-SEM), X-ray photoelectron spectroscopy (XPS), secondary ion mass spectrometry (SIMS) and transmission electron microscopy (TEM). A suitable choice of processing parameters enabled the selective formation of α-Fe2O3 nanomaterials, characterized by an homogeneous F doping, even at 100 °C. Interestingly, a simultaneous control of the system nanoscale organization and fluorine content could be achieved by varying the sole growth temperature. The tailored properties of the resulting materials can be favourably exploited for several technological applications, ranging from photocatalysis, to photoelectrochemical cells and gas sensing. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000326395800141 |
Publication Date |
2013-10-03 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
2046-2069; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.108 |
Times cited |
23 |
Open Access |
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Notes |
Fwo |
Approved |
Most recent IF: 3.108; 2013 IF: 3.708 |
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Call Number |
UA @ lucian @ c:irua:111091 |
Serial |
1237 |
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Permanent link to this record |
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Author |
Skaltsas, T.; Ke, X.; Bittencourt, C.; Tagmatarchis, N. |
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Title |
Ultrasonication induces oxygenated species and defects onto exfoliated graphene |
Type |
A1 Journal article |
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Year |
2013 |
Publication |
The journal of physical chemistry: C : nanomaterials and interfaces |
Abbreviated Journal |
J Phys Chem C |
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Volume |
117 |
Issue |
44 |
Pages |
23272-23278 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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Abstract |
The effect of ultrasonication parameters, such as time and power applied, to exfoliate graphite in o-dichlorobenzene (o-DCB) and N-methyl-1,2-pyrrolidone (NMP) was examined. It was found that the concentration of graphene was higher in o-DCB, while its dispersibility was increased when sonication was applied for a longer period and/or at higher power. However, spectroscopic examination by X-ray photoelectron spectroscopy (XPS) revealed that ultrasonication causes defects and induces oxygen functional groups in the form of carboxylic acids and ethers/epoxides onto the graphene lattice. Additional proof for the latter arose from Raman, IR, and thermogravimetry studies. The carboxylic acids and ethers/epoxides onto exfoliated graphene were derived from air during ultrasonication and found independent of the solvent used for the exfoliation and the power and/or time ultrasonication applied. Quantitative evaluation of the amount of oxygenated species present on exfoliated graphene as performed by high-resolution XPS revealed that the relative oxygen percentage was higher when exfoliation was performed in NMP. Finally, the sonication time and/or power affected the oxygen content on exfoliated graphene, since extended ultrasonication resulted in a decrease in the oxygen content on exfoliated graphene, with a simultaneous increase of defected sp(3) carbon atoms. |
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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 |
000326845400090 |
Publication Date |
2013-10-03 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1932-7447;1932-7455; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
4.536 |
Times cited |
65 |
Open Access |
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Notes |
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Approved |
Most recent IF: 4.536; 2013 IF: 4.835 |
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Call Number |
UA @ lucian @ c:irua:112710 |
Serial |
3797 |
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Permanent link to this record |
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Author |
Seyed-Talebi, S.M.; Beheshtian, J.; Neek-Amal, M. |
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Title |
Doping effect on the adsorption of NH3 molecule onto graphene quantum dot : from the physisorption to the chemisorption |
Type |
A1 Journal article |
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Year |
2013 |
Publication |
Journal of applied physics |
Abbreviated Journal |
J Appl Phys |
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Volume |
114 |
Issue |
12 |
Pages |
124307-7 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
The adsorption of ammonia molecule onto a graphene hexagonal flake, aluminum (Al) and boron (B) doped graphene flakes (graphene quantum dots, GQDs) are investigated using density functional theory. We found that NH3 molecule is absorbed to the hollow site through the physisorption mechanism without altering the electronic properties of GQD. However, the adsorption energy of NH3 molecule onto the Al- and B-doped GQDs increases with respect GQD resulting chemisorption. The adsorption of NH3 onto the Al-doped and B-doped GQDs makes graphene locally buckled, i.e., B-doped and Al-doped GQDs are not planar. The adsorption mechanism onto a GQD is different than that of graphene. This study reveals important features of the edge passivation and doping effects of the adsorption mechanism of external molecules onto the graphene quantum dots. (C) 2013 AIP Publishing LLC. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
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Language |
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Wos |
000325391100057 |
Publication Date |
2013-09-26 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0021-8979; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.068 |
Times cited |
10 |
Open Access |
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Notes |
; This work was supported by the EU-Marie Curie IIF Fellowship/299855 for M.-N.A. ; |
Approved |
Most recent IF: 2.068; 2013 IF: 2.185 |
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Call Number |
UA @ lucian @ c:irua:112201 |
Serial |
750 |
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Permanent link to this record |
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Author |
Neek-Amal, M.; Covaci, L.; Shakouri, K.; Peeters, F.M. |
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Title |
Electronic structure of a hexagonal graphene flake subjected to triaxial stress |
Type |
A1 Journal article |
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Year |
2013 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
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Volume |
88 |
Issue |
11 |
Pages |
115428 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
The electronic properties of a triaxially strained hexagonal graphene flake with either armchair or zigzag edges are investigated using molecular dynamics simulations and tight-binding calculations. We found that (i) the pseudomagnetic field in strained graphene flakes is not uniform neither in the center nor at the edge of zigzag terminated flakes, (ii) the pseudomagnetic field is almost zero in the center of armchair terminated flakes but increases dramatically near the edges, (iii) the pseudomagnetic field increases linearly with strain, for strains lower than 15% but increases nonlinearly beyond it, (iv) the local density of states in the center of the zigzag hexagon exhibits pseudo-Landau levels with broken sublattice symmetry in the zeroth pseudo-Landau level, and in addition there is a shift in the Dirac cone due to strain induced scalar potentials, and (v) there is size effect in pseudomagnetic field. This study provides a realistic model of the electronic properties of inhomogeneously strained graphene where the relaxation of the atomic positions is correctly included together with strain induced modifications of the hopping terms up to next-nearest neighbors. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000324690400008 |
Publication Date |
2013-09-24 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1098-0121;1550-235X; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.836 |
Times cited |
46 |
Open Access |
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Notes |
; This work was supported by the EU-Marie Curie IIF postdoctoral Fellowship/ 299855 (for M.N.-A.), the ESF EuroGRAPHENE project CONGRAN, the Flemish Science Foundation (FWO-Vl) and the Methusalem Funding of the Flemish government. ; |
Approved |
Most recent IF: 3.836; 2013 IF: 3.664 |
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Call Number |
UA @ lucian @ c:irua:111168 |
Serial |
1011 |
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Permanent link to this record |
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Author |
Morozov, V.A.; Bertha, A.; Meert, K.W.; Van Rompaey, S.; Batuk, D.; Martinez, G.T.; Van Aert, S.; Smet, P.F.; Raskina, M.V.; Poelman, D.; Abakumov, A.M.; Hadermann, J.; |
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Title |
Incommensurate modulation and luminescence in the CaGd2(1-x)Eu2x(MoO4)4(1-y)(WO)4y (0\leq x\leq1, 0\leq y\leq1) red phosphors |
Type |
A1 Journal article |
|
Year |
2013 |
Publication |
Chemistry of materials |
Abbreviated Journal |
Chem Mater |
|
|
Volume |
25 |
Issue |
21 |
Pages |
4387-4395 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
Scheelite related compounds (A',A '') [(B',B '')O-4], with B', B '' = W and/or Mo are promising new light-emitting materials for photonic applications, including phosphor converted LEDs (light-emitting diodes). In this paper, the creation and ordering of A-cation vacancies and the effect of cation substitutions in the scheelite-type framework are investigated as a factor for controlling the scheelite-type structure and luminescent properties. CaGd2(1-x)Eu2x(MoO4)(4(1-y))(WO4)(4y) (0 <= x <= 1, 0 <= y <= 1) solid solutions with scheelite-type structure were synthesized by a solid state method, and their structures were investigated using a combination of transmission electron microscopy techniques and powder X-ray diffraction. Within this series all complex molybdenum oxides have (3 + 2)D incommensurately modulated structures with superspace group I4(1)/a(alpha,beta,0)00(-beta,alpha,0)00, while the structures of all tungstates are (3 + 1)D incommensurately modulated with superspace group I2/b(alpha beta 0)00. In both cases the modulation arises because of cation-vacancy ordering at the A site. The prominent structural motif is formed by columns of A-site vacancies running along the c-axis. These vacant columns occur in rows of two or three aligned along the [110] direction of the scheelite subcell. The replacement of the smaller Gd3+ by the larger Eu3+ at the A-sublattice does not affect the nature of the incommensurate modulation, but an increasing replacement of Mo6+ by W6+ switches the modulation from (3 + 2)D to (3 + 1)D regime. Thus, these solid solutions can be considered as a model system where the incommensurate modulation can be monitored as a function of cation nature while the number of cation vacancies at the A sites remain constant upon the isovalent cation replacement. All compounds' luminescent properties were measured, and the optical properties were related to the structural properties of the materials. CaGd2(1-x)(MoO4)(4(1-y))(WO4)(4y) phosphors emit intense red light dominated by the D-5(0)-F-7(2) transition at 612 nm, along with other transitions from the D-5(1) and D-5(0) excited states. The intensity of the 5D0-7F2 transition reaches a maximum at x = 0.5 for y = 0 and 1. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Washington, D.C. |
Editor |
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Language |
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Wos |
000327045000030 |
Publication Date |
2013-09-24 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
0897-4756;1520-5002; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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|
Impact Factor |
9.466 |
Times cited |
63 |
Open Access |
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|
Notes |
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Approved |
Most recent IF: 9.466; 2013 IF: 8.535 |
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Call Number |
UA @ lucian @ c:irua:112776 |
Serial |
1594 |
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Permanent link to this record |
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Author |
Dabaghmanesh, S.; Saniz, R.; Amini, M.N.; Lamoen, D.; Partoens, B. |
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Title |
Perovskite transparent conducting oxides : an ab initio study |
Type |
A1 Journal article |
|
Year |
2013 |
Publication |
Journal of physics : condensed matter |
Abbreviated Journal |
J Phys-Condens Mat |
|
|
Volume |
25 |
Issue |
41 |
Pages |
415503 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
We present an ab initio study of the electronic structure and of the formation energies of various point defects in BaSnO3 and SrGeO3. We show that La and Y impurities substituting Ba or Sr are shallow donors with a preferred 1 + charge state. These defects have a low formation energy within all the suitable equilibrium growth conditions considered. Oxygen vacancies behave as shallow donors as well, preferring the 2 + charge state. Their formation energies, however, are higher in most growth conditions, indicating a limited contribution to conductivity. The calculated electron effective mass in BaSnO3, with a value of 0.21 me, and the very high mobility reported recently in La-doped BaSnO3 single-crystals, suggest that remarkably low scattering rates can be achieved in the latter. In the case of SrGeO3, our results point to carrier density and mobility values in the low range for typical polycrystalline TCOs, in line with experiment. |
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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 |
London |
Editor |
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Language |
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Wos |
000324920400011 |
Publication Date |
2013-09-24 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
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Edition |
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ISSN |
0953-8984;1361-648X; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.649 |
Times cited |
17 |
Open Access |
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|
Notes |
FWO;Hercules |
Approved |
Most recent IF: 2.649; 2013 IF: 2.223 |
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Call Number |
UA @ lucian @ c:irua:110495 |
Serial |
2574 |
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Permanent link to this record |
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Author |
Komendová, L.; Milošević, M.V.; Peeters, F.M. |
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Title |
Soft vortex matter in a type-I/type-II superconducting bilayer |
Type |
A1 Journal article |
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Year |
2013 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
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Volume |
88 |
Issue |
9 |
Pages |
094515 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Magnetic flux patterns are known to strongly differ in the intermediate state of type-I and type-II superconductors. Using a type-I/type-II bilayer we demonstrate hybridization of these flux phases into a plethora of unique new ones. Owing to a complicated multibody interaction between individual fluxoids, many different intriguing patterns are possible under applied magnetic field, such as few-vortex clusters, vortex chains, mazes, or labyrinthal structures resembling the phenomena readily encountered in soft-matter physics. However, in our system the patterns are tunable by sample parameters, magnetic field, current, and temperature, which reveals transitions from short-range clustering to long-range ordered phases such as parallel chains, gels, glasses, and crystalline vortex lattices, or phases where lamellar type-I flux domains in one layer serve as a bedding potential for type-II vortices in the other, configurations clearly beyond the soft-matter analogy. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000324689900008 |
Publication Date |
2013-09-24 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
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ISSN |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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|
Impact Factor |
3.836 |
Times cited |
27 |
Open Access |
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Notes |
; This work was supported by the Flemish Science Foundation (FWO-Vl). Insightful discussions with Arkady Shanenko and Edith Cristina Euan Diaz are gratefully acknowledged. ; |
Approved |
Most recent IF: 3.836; 2013 IF: 3.664 |
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Call Number |
UA @ lucian @ c:irua:111167 |
Serial |
3050 |
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Permanent link to this record |
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Author |
De Schutter, B.; Devulder, W.; Schrauwen, A.; van Stiphout, K.; Perkisas, T.; Bals, S.; Vantomme, A.; Detavernier, C. |
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Title |
Phase formation in intermixed NiGe thin films : influence of Ge content and low-temperature nucleation of hexagonal nickel germanides |
Type |
A1 Journal article |
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Year |
2014 |
Publication |
Microelectronic engineering |
Abbreviated Journal |
Microelectron Eng |
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Volume |
120 |
Issue |
|
Pages |
168-173 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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Abstract |
In this study, we focus on phase formation in intermixed NiGe thin films as they represent a simplified model of the small intermixed interface layer that is believed to form upon deposition of Ni on Ge and where initial phase formation happens. A combinatorial sputter deposition technique was used to co-deposit a range of intermixed NiGe thin films with Ge concentrations varying between 0 and 50 at.%Ge in a single deposition on both Ge (100) and inert SiO2 substrates. In situ X-ray diffraction and transmission electron microscopy where used to study phase formation. In almost the entire composition range under investigation, crystalline phases where found to be present in the as-deposited films. Between 36 and 48 at.%Ge, high-temperature hexagonal nickel germanides were found to occur metastabily below 300 °C, both on SiO2 and Ge (100) substrates. For Ge concentrations in the range between 36 and 42 at.%, this hexagonal germanide phase was even found to be present at room temperature in the as-deposited films. The results obtained in this work could provide more insight in the phase sequence of a pure Ni film on Ge. |
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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 |
Amsterdam |
Editor |
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Language |
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Wos |
000336697300028 |
Publication Date |
2013-09-20 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0167-9317; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
1.806 |
Times cited |
9 |
Open Access |
Not_Open_Access |
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Notes |
FWO project Nr. G076112N |
Approved |
Most recent IF: 1.806; 2014 IF: 1.197 |
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Call Number |
UA @ lucian @ c:irua:116958 |
Serial |
2584 |
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Permanent link to this record |
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Author |
Lawson, N.C.; Janyavula, S.; Çakir, D.; Burgess, J.O. |
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Title |
An analysis of the physiologic parameters of intraoral wear: a review |
Type |
A1 Journal article |
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Year |
2013 |
Publication |
Journal Of Physics D-Applied Physics |
Abbreviated Journal |
J Phys D Appl Phys |
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Volume |
46 |
Issue |
40 |
Pages |
Unsp 404007 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
This paper reviews the conditions of in vivo mastication and describes a novel method of measuring in vitro wear. Methods: parameters of intraoral wear are reviewed in this analysis, including chewing force, tooth sliding distance, food abrasivity, saliva lubrication, and antagonist properties. Results: clinical measurement of mastication forces indicates a range of normal forces between 20 and 140 N for a single molar. During the sliding phase of mastication, horizontal movement has been measured between 0.9 and 2.86 mm. In vivo wear occurs by three-body abrasion when food particles are interposed between teeth and by two-body abrasion after food clearance. Analysis of food particles used in wear testing reveals that food particles are softer than enamel and large enough to separate enamel and restoration surfaces and act as a solid lubricant. In two-body wear, saliva acts as a boundary lubricant with a viscosity of 3 cP. Enamel is the most relevant antagonist material for wear testing. The shape of a palatal cusp has been estimated as a 0.6 mm diameter ball and the hardest region of a tooth is its enamel surface. pH values and temperatures have been shown to range between 2-7 and 5-55 degrees C in intraoral fluids, respectively. These intraoral parameters have been used to modify the Alabama wear testing method. |
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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 |
London |
Editor |
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Language |
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Wos |
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Publication Date |
2013-09-19 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0022-3727 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.588 |
Times cited |
|
Open Access |
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Notes |
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Approved |
Most recent IF: 2.588; 2013 IF: 2.521 |
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Call Number |
UA @ lucian @ c:irua:128322 |
Serial |
4585 |
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Permanent link to this record |
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Author |
Bittencourt, C.; Ke, X.; Van Tendeloo, G.; Tagmatarchis, N.; Guttmann, P. |
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Title |
NEXAFS spectromicroscopy of suspended carbon nanohorns |
Type |
A1 Journal article |
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Year |
2013 |
Publication |
Chemical physics letters |
Abbreviated Journal |
Chem Phys Lett |
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Volume |
587 |
Issue |
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Pages |
85-87 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
We demonstrate that near-edge X-ray-absorption fine-structure spectroscopy combined with full-field transmission X-ray microscopy can be used to study the electronic structure of suspended carbon nanohorns. Based on reports of electronic structure calculations additional spectral features observed in the π region of the NEXAFS spectrum recorded on the carbon nanohorns were associated to the presence of the pentagonal rings and the folding of the graphene sheet. |
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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 |
Amsterdam |
Editor |
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Language |
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Wos |
000326104500016 |
Publication Date |
2013-09-18 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0009-2614; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
1.815 |
Times cited |
4 |
Open Access |
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Notes |
Fp7; Countatoms; |
Approved |
Most recent IF: 1.815; 2013 IF: 1.991 |
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Call Number |
UA @ lucian @ c:irua:111592 |
Serial |
2339 |
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Permanent link to this record |
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Author |
Retuerto, M.; Emge, T.; Hadermann, J.; Stephens, P.W.; Li, M.R.; Yin, Z.P.; Croft, M.; Ignatov, A.; Zhang, S.J.; Yuan, Z.; Jin, C.; Simonson, J.W.; Aronson, M.C.; Pan, A.; Basov, D.N.; Kotliar, G.; Greenblatt, M.; |
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Title |
Synthesis and properties of charge-ordered thallium halide perovskites, CsTl0.5+Tl0.53+X3 (X = F or Cl) : theoretical precursors for superconductivity? |
Type |
A1 Journal article |
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Year |
2013 |
Publication |
Chemistry of materials |
Abbreviated Journal |
Chem Mater |
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Volume |
25 |
Issue |
20 |
Pages |
4071-4079 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
Recently, CsTlCl3 and CsTlF3 perovskites were theoretically predicted to be potential superconductors if they were optimally doped. The syntheses of these two compounds together with a complete characterization of the samples are reported. CsTlCl3 was obtained as orange crystals in two different polymorphs: a tetragonal phase (I4/m) and a cubic phase (Fm (3) over barm). CsTlF3 was formed as a light brown powder, and also as a double cubic perovskite (Fm (3) over barm). In all three CsTlX3 phases, Tl+ and Tl3+ were located in two different crystallographic positions that accommodate their different bond lengths. In CsTlCl3, some Tl vacancies were found in the Tl+ position. The charge ordering between Tl+ and Tl3+ was confirmed by X-ray absorption and Raman spectroscopy. The Raman spectroscopy of CsTlCl3 at high pressure (58 GPa) did not indicate any phase transition to a possible single Tl2+ state. However, the highly insulating material became less resistive with an increasing high pressure, while it underwent a change in its optical properties, from transparent to deeply opaque red, indicative of a decrease in the magnitude of the band gap. The theoretical design and experimental validation of the existence of CsTlF3 and CsTlCl3 cubic perovskites are the necessary first steps in confirming the theoretical prediction of superconductivity in these materials. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Washington, D.C. |
Editor |
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Language |
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Wos |
000326209200017 |
Publication Date |
2013-09-18 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
|
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ISSN |
0897-4756;1520-5002; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
|
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Impact Factor |
9.466 |
Times cited |
28 |
Open Access |
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Notes |
|
Approved |
Most recent IF: 9.466; 2013 IF: 8.535 |
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Call Number |
UA @ lucian @ c:irua:112248 |
Serial |
3434 |
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Permanent link to this record |
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Author |
Houssa, M.; van den Broek, B.; Scalise, E.; Ealet, B.; Pourtois, G.; Chiappe, D.; Cinquanta, E.; Grazianetti, C.; Fanciulli, M.; Molle, A.; Afanas’ev, V.V.; Stesmans, A.; |
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Title |
Theoretical aspects of graphene-like group IV semiconductors |
Type |
A1 Journal article |
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Year |
2014 |
Publication |
Applied surface science |
Abbreviated Journal |
Appl Surf Sci |
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Volume |
291 |
Issue |
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Pages |
98-103 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
Silicene and germanene are the silicon and germanium counterparts of graphene, respectively. Recent experimental works have reported the growth of silicene on (1 1 1)Ag surfaces with different atomic configurations, depending on the growth temperature and surface coverage. We first theoretically study the structural and electronic properties of silicene on (1 1 1) Ag surfaces, focusing on the (4 x 4) silicene/Ag structure. Due to symmetry breaking in the silicene layer (nonequivalent number of top and bottom Si atoms), the corrugated silicene layer, with the Ag substrate removed, is predicted to be semiconducting, with a computed energy bandgap of about 0.3 eV. However, the hybridization between the Si 3p orbitals and the Ag 5s orbital in the silicene/(1 1 1)Ag slab model leads to an overall metallic system, with a distribution of local electronic density of states, which is related to the slightly disordered structure of the silicene layer on the (1 1 1)Ag surface. We next study the interaction of silicene and germanene with different hexagonal non-metallic substrates, namely ZnS and ZnSe. On reconstructed (0 0 0 1)ZnS or ZnSe surfaces, which should be more energetically stable for very thin layers, silicene and germanene are found to be semiconducting. Remarkably, the nature and magnitude of their energy bandgap can be controlled by an out-of-plane electric field, an important finding for the potential use of these materials in nanoelectronic devices. (C) 2013 Elsevier B. V. All rights reserved. |
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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 |
Amsterdam |
Editor |
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Language |
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Wos |
000329327700022 |
Publication Date |
2013-09-18 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0169-4332; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.387 |
Times cited |
20 |
Open Access |
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Notes |
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Approved |
Most recent IF: 3.387; 2014 IF: 2.711 |
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Call Number |
UA @ lucian @ c:irua:113765 |
Serial |
3603 |
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Permanent link to this record |
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Author |
Milovanovic, S.P.; Masir, M.R.; Peeters, F.M. |
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Title |
Bilayer graphene Hall bar with a pn-junction |
Type |
A1 Journal article |
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Year |
2013 |
Publication |
Journal of applied physics |
Abbreviated Journal |
J Appl Phys |
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Volume |
114 |
Issue |
11 |
Pages |
113706 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
We investigate the magnetic field dependence of the Hall and the bend resistances for a ballistic Hall bar structure containing a pn-junction sculptured from a bilayer of graphene. The electric response is obtained using the billiard model, and we investigate the cases of bilayer graphene with and without a band gap. Two different conduction regimes are possible: (i) both sides of the junction have the same carrier type and (ii) one side of the junction is n-type while the other one is p-type. The first case shows Hall plateau-like features in the Hall resistance that fade away as the band gap opens. The second case exhibits a bend resistance that is asymmetric in magnetic field as a consequence of snake states along the pn-interface, where the maximum is shifted away from zero magnetic field. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
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Language |
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Wos |
000324827200031 |
Publication Date |
2013-09-17 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0021-8979; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.068 |
Times cited |
3 |
Open Access |
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Notes |
This work was supported by the Flemish Science Foundation (FWO-Vl), the European Science Foundation (ESF) under the EUROCORES Program EuroGRAPHENE within the project CONGRAN, and the Methusalem Foundation of the Flemish government. |
Approved |
Most recent IF: 2.068; 2013 IF: 2.185 |
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Call Number |
UA @ lucian @ c:irua:111169 |
Serial |
234 |
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Permanent link to this record |
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Author |
van den Broek, B.; Houssa, M.; Scalise, E.; Pourtois, G.; Afanas'ev, V.V.; Stesmans, A. |
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Title |
First-principles electronic functionalization of silicene and germanene by adatom chemisorption |
Type |
A1 Journal article |
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Year |
2014 |
Publication |
Applied surface science |
Abbreviated Journal |
Appl Surf Sci |
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Volume |
291 |
Issue |
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Pages |
104-108 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
This study presents first-principles results on the electronic functionalization of silicene and germanene monolayers by means of chemisorption of adatom species H, Li, F, Sc, Ti, V. Three general adatom-monolayer configurations are considered, each having its distinct effect on the electronic structure, yielding metallic or semiconducting dispersions depending on the adatom species and configuration. The induced bandgap is a (in)direct F gap ranging from 0.2 to 2.3 eV for both silicene and germanene. In general the alternating configuration was found to be the most energetically stable. The boatlike and chairlike conformers are degenerate with the former having anisotropic effective carrier masses. The top configuration leads to the planar monolayer and predominately to a gapped dispersion. The hollow configuration with V adatoms retains the Dirac cone, but with strong orbital planar hybridization at the Fermi level. We also observe a planar surface state the Fermi level for the latter systems. (C) 2013 Elsevier B.V. All rights reserved. |
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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 |
Amsterdam |
Editor |
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Language |
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Wos |
000329327700023 |
Publication Date |
2013-09-17 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0169-4332; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.387 |
Times cited |
32 |
Open Access |
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Notes |
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Approved |
Most recent IF: 3.387; 2014 IF: 2.711 |
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Call Number |
UA @ lucian @ c:irua:113766 |
Serial |
1208 |
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Permanent link to this record |