| Records |
| Author |
Scarrozza, M.; Pourtois, G.; Houssa, M.; Heyns, M.; Stesmans, A. |
| Title |
Oxidation of the GaAs(001) surface : insights from first-principles calculations |
Type |
A1 Journal article |
| Year |
2012 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
| Volume |
85 |
Issue |
19 |
Pages |
195307-195307,8 |
| Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| Abstract |
We performed a detailed investigation of the oxidation of the technologically relevant GaAs(001)-beta 2(2x4) surface via density functional calculations. The purpose is to gain insights on the atomistic mechanisms and local bondings that underlie the degradation of the surface properties once exposed to oxygen. The study comprises the adsorption of single O atoms, through the sampling of several adsorption sites, and the subsequent formation of the O adsorbate at increasing coverage by taking into account multiple-atom adsorption. Based on the evaluation of the energetics and the structural properties of the atomistic models generated, the results here reported delineate a consistent picture of the initial stage of the surface oxidation: (i) at low coverage, in the limit of single O insertions, oxygen is incorporated on the surface forming a twofold-bridging Ga-O-As bond; (ii) at increasing coverage, as multiple O atoms are involved, this is accompanied by the formation of a threefold-coordinated bond (with two Ga and one As atoms); (iii) the latter has important implications regarding the electronic properties of the adsorbate since this O bonding may result in the formation of As dangling bonds. Moreover, a clear trend of increased energy gain for the incorporation of neighboring O atoms compared to single O insertions indicates that the formation of oxide clusters is favored over a regime of uniform oxidation. Our findings provide a detailed description of the O bonding and stress the importance of modeling the adsorption of multiple O atoms for an accurate description of the surface oxidation. |
| Address |
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| Corporate Author |
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Thesis |
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Publisher  |
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Place of Publication |
|
Editor |
|
| Language |
|
Wos |
000303755700006 |
Publication Date |
2012-05-08 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.836 |
Times cited |
15 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 3.836; 2012 IF: 3.767 |
| Call Number |
UA @ lucian @ c:irua:99122 |
Serial |
2538 |
| Permanent link to this record |
| |
|
| |
| Author |
Schweigert, I.V.; Schweigert, V.A.; Peeters, F.M. |
| Title |
Perturbation of collisional plasma flow around a charged dust particle: kinetic analysis |
Type |
A1 Journal article |
| Year |
2005 |
Publication |
Physics of plasmas |
Abbreviated Journal |
Phys Plasmas |
| Volume |
12 |
Issue |
11 |
Pages |
113501,1-9 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
|
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
|
Place of Publication |
Woodbury, N.Y. |
Editor |
|
| Language |
|
Wos |
000233569600046 |
Publication Date |
2005-11-07 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
1070-664X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
2.115 |
Times cited |
15 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 2.115; 2005 IF: 2.182 |
| Call Number |
UA @ lucian @ c:irua:56048 |
Serial |
2575 |
| Permanent link to this record |
| |
|
| |
| Author |
Lorenz, H.; Zhao, Q.; Turner, S.; Lebedev, O.I.; Van Tendeloo, G.; Klötzer, B.; Rameshan, C.; Penner, S. |
| Title |
Preparation and structural characterization of SnO2 and GeO2 methanol steam reforming thin film model catalysts by (HR)TEM |
Type |
A1 Journal article |
| Year |
2010 |
Publication |
Materials chemistry and physics |
Abbreviated Journal |
Mater Chem Phys |
| Volume |
122 |
Issue |
2/3 |
Pages |
623-629 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
Structure, morphology and composition of different tin oxide and germanium oxide thin film catalysts for the methanol steam reforming (MSR) reaction have been studied by a combination of (high-resolution) transmission electron microscopy, selected area electron diffraction, dark-field imaging and electron energy-loss spectroscopy. Deposition of the thin films on NaCl(0 0 1) cleavage faces has been carried out by thermal evaporation of the respective SnO2 and GeO2 powders in varying oxygen partial pressures and at different substrate temperatures. Preparation of tin oxide films in high oxygen pressures (10−1 Pa) exclusively resulted in SnO phases, at and above 473 K substrate temperature epitaxial growth of SnO on NaCl(0 0 1) leads to well-ordered films. For lower oxygen partial pressures (10−3 to 10−2 Pa), mixtures of SnO and β-Sn are obtained. Well-ordered SnO2 films, as verified by electron diffraction patterns and energy-loss spectra, are only obtained after post-oxidation of SnO films at temperatures T ≥ 673 K in 105 Pa O2. Preparation of GeOx films inevitably results in amorphous films with a composition close to GeO2, which cannot be crystallized by annealing treatments in oxygen or hydrogen at temperatures comparable to SnO/SnO2. Similarities and differences to neighbouring oxides relevant for selective MSR in the third group of the periodic system (In2O3 and Ga2O3) are also discussed with the aim of cross-correlation in formation of nanomaterials, and ultimately, also catalytic properties. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
|
Place of Publication |
Lausanne |
Editor |
|
| Language |
|
Wos |
000278637900054 |
Publication Date |
2010-04-18 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0254-0584; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
2.084 |
Times cited |
15 |
Open Access |
|
| Notes |
Esteem 026019 |
Approved |
Most recent IF: 2.084; 2010 IF: 2.356 |
| Call Number |
UA @ lucian @ c:irua:83099 |
Serial |
2699 |
| Permanent link to this record |
| |
|
| |
| Author |
Rodewald, M.; Rodewald, K.; De Meulenaere, P.; Van Tendeloo, G. |
| Title |
Real-space characterization of short-range order in Cu-Pd alloys |
Type |
A1 Journal article |
| Year |
1997 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
| Volume |
55 |
Issue |
21 |
Pages |
14173-14181 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
Cu-Pd alloys containing 10, 20, 30, 40, and 50 at. % Pd and quenched from a temperature just above the ordering temperature T-c are investigated by electron diffraction and high-resolution electron microscopy (HREM). The results show diffuse electron diffraction intensities at {100} and {110} positions for the alloy with 10 at. % Pd, but with a characteristic twofold and fourfold splitting for the alloys with more than 10 at. % Pd. High-resolution images show the formation of microdomains best developed between 20 and 30 at. % Pd. A real-space characterization has been performed by applying videographic real-structure simulations revealing that the splitting of the diffuse maxima depends on the average distance between microdomains of Cu3Au type in antiphase with each other. By applying image processing routines on the HREM images, correlation vectors are identified which correspond to correlations between microdomains. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
Lancaster, Pa |
Editor |
|
| Language |
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Wos |
A1997XE37100036 |
Publication Date |
2002-07-27 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0163-1829;1095-3795; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.836 |
Times cited |
15 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 3.836; 1997 IF: NA |
| Call Number |
UA @ lucian @ c:irua:21439 |
Serial |
2828 |
| Permanent link to this record |
| |
|
| |
| Author |
Chang, K.; Chan, K.S.; Peeters, F.M. |
| Title |
Spin-polarized tunneling through a diluted magnetic semiconductor quantum dot |
Type |
A1 Journal article |
| Year |
2005 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
| Volume |
71 |
Issue |
|
Pages |
155309,1-6 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
|
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
Lancaster, Pa |
Editor |
|
| Language |
|
Wos |
000228762900070 |
Publication Date |
2005-04-12 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.836 |
Times cited |
15 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 3.836; 2005 IF: 3.185 |
| Call Number |
UA @ lucian @ c:irua:69408 |
Serial |
3098 |
| Permanent link to this record |
| |
|
| |
| Author |
Xing, Y.T.; Micklitz, H.; Rappoport, T.G.; Milošević, M.V.; Solorzano-Naranjo, I.G.; Baggio-Saitovitch, E. |
| Title |
Spontaneous vortex phases in superconductor-ferromagnet Pb-Co nanocomposite films |
Type |
A1 Journal article |
| Year |
2008 |
Publication |
Physical review : B : solid state |
Abbreviated Journal |
Phys Rev B |
| Volume |
78 |
Issue |
22 |
Pages |
224524,1-224524,5 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
We report measurements which indicate the appearance of spontaneous vortices in lead superconducting films with embedded magnetic nanoparticles and a temperature-induced phase transition between different vortex phases. Unlike common vortices in superconductors, the vortex phase appears in the absence of applied magnetic field. The vortices nucleate exclusively due to the stray field of the magnetic nanoparticles, which serve the dual role of providing the internal field and simultaneously acting as pinning centers. Transport measurements reveal dynamical phase transitions that depend on temperature (T) and applied field (H) and support the obtained H-T phase diagram. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
|
Place of Publication |
Lancaster, Pa |
Editor |
|
| Language |
|
Wos |
000262245200092 |
Publication Date |
2008-12-30 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.836 |
Times cited |
15 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 3.836; 2008 IF: 3.322 |
| Call Number |
UA @ lucian @ c:irua:76005 |
Serial |
3109 |
| Permanent link to this record |
| |
|
| |
| Author |
Milošević, M.V.; Berdiyorov, G.R.; Peeters, F.M. |
| Title |
Stabilized vortex-antivortex molecules in a superconducting microdisk with a magnetic nanodot on top |
Type |
A1 Journal article |
| Year |
2007 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
| Volume |
75 |
Issue |
5 |
Pages |
052502,1-4 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
|
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
Lancaster, Pa |
Editor |
|
| Language |
|
Wos |
000244532600020 |
Publication Date |
2007-03-01 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.836 |
Times cited |
15 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 3.836; 2007 IF: 3.172 |
| Call Number |
UA @ lucian @ c:irua:63790 |
Serial |
3141 |
| Permanent link to this record |
| |
|
| |
| Author |
Nakiboglu, G.; Gorlé, C.; Horvath, I.; van Beeck, J.; Blocken, B. |
| Title |
Stack gas dispersion measurements with large scale-PIV, aspiration probes and light scattering techniques and comparison with CFD |
Type |
A1 Journal article |
| Year |
2009 |
Publication |
Atmospheric environment : an international journal |
Abbreviated Journal |
Atmos Environ |
| Volume |
43 |
Issue |
21 |
Pages |
3396-3406 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
The main purpose of this research is to manage simultaneous measurement of velocity and concentration in large cross-sections by recording and processing images of cloud structures to provide more detailed information for e.g. validation of CFD simulations. Dispersion from an isolated stack in an Atmospheric Boundary Layer (ABL) was chosen as the test case and investigated both experimentally and numerically in a wind tunnel. Large Scale-Particle Image Velocimetry (LS-PIV), which records cloud structures instead of individual particles, was used to obtain the velocity field in a vertical plane. The concentration field was determined by two methods: Aspiration Probe (AP) measurements and Light Scattering Technique (LST). In the latter approach, the same set of images used in the LS-PIV was employed. The test case was also simulated using the CFD solver FLUENT 6.3. Comparison between AP measurements and CFD revealed that there is good agreement when using a turbulent Schmidt number of 0.4. For the LST measurements, a non-linear relation between concentration and light intensity was observed and a hyperbolic-based function is proposed as correction function. After applying this correction function, a close agreement between CFD and LST measurements is obtained. (C) 2009 Elsevier Ltd. All rights reserved. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
|
Place of Publication |
Oxford |
Editor |
|
| Language |
|
Wos |
000267529600013 |
Publication Date |
2009-04-08 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
1352-2310; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.629 |
Times cited |
15 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 3.629; 2009 IF: 3.139 |
| Call Number |
UA @ lucian @ c:irua:94531 |
Serial |
3147 |
| Permanent link to this record |
| |
|
| |
| Author |
Udoh, K.-I.; El- Araby, A.M.; Tanaka, Y.; Hisatsune, K.; Yasuda, K.; Van Tendeloo, G.; van Landuyt, J. |
| Title |
Structural aspects of AuCu I or AuCu II and a cuboidal black configuration of f.c.c. disordered phase in AuCu-Pt and AuCu-Ag pseudobinary alloys |
Type |
A1 Journal article |
| Year |
1995 |
Publication |
Materials science and engineering: part A: structural materials: properties, microstructure and processing |
Abbreviated Journal |
Mat Sci Eng A-Struct |
| Volume |
203 |
Issue |
|
Pages |
154-164 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
|
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
|
Place of Publication |
Lausanne |
Editor |
|
| Language |
|
Wos |
A1995TM62800016 |
Publication Date |
2002-07-25 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0921-5093; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
2.567 |
Times cited |
15 |
Open Access |
|
| Notes |
|
Approved |
|
| Call Number |
UA @ lucian @ c:irua:13298 |
Serial |
3205 |
| Permanent link to this record |
| |
|
| |
| Author |
Nistor, L.; van Landuyt, J.; Ralchenko, V. |
| Title |
Structural aspects of CVD idamond wafers grown at different hydrogen flow rates |
Type |
A1 Journal article |
| Year |
1999 |
Publication |
Physica status solidi: A: applied research |
Abbreviated Journal |
Phys Status Solidi A |
| Volume |
171 |
Issue |
|
Pages |
5-10 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
|
| Address |
|
| Corporate Author |
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Thesis |
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| Publisher |
|
Place of Publication |
Berlin |
Editor |
|
| Language |
|
Wos |
000081733800007 |
Publication Date |
2002-09-10 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0031-8965;1521-396X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
|
Times cited |
15 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: NA |
| Call Number |
UA @ lucian @ c:irua:29688 |
Serial |
3207 |
| Permanent link to this record |
| |
|
| |
| Author |
Buschmann, V.; Van Tendeloo, G. |
| Title |
Structural characterization of colloidal Ag2Se nanocrystals |
Type |
A1 Journal article |
| Year |
1998 |
Publication |
Langmuir |
Abbreviated Journal |
Langmuir |
| Volume |
14 |
Issue |
|
Pages |
1528-1531 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
|
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
|
Editor |
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| Language |
|
Wos |
000072914700007 |
Publication Date |
2002-07-26 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0743-7463;1520-5827; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.833 |
Times cited |
15 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 3.833; 1998 IF: 2.813 |
| Call Number |
UA @ lucian @ c:irua:25659 |
Serial |
3218 |
| Permanent link to this record |
| |
|
| |
| Author |
Jehanathan, N.; Lebedev, O.; Gélard, I.; Dubourdieu, C.; Van Tendeloo, G. |
| Title |
Structure and defect characterization of multiferroic <tex>ReMnO$3 films and multilayers by TEM |
Type |
A1 Journal article |
| Year |
2010 |
Publication |
Nanotechnology |
Abbreviated Journal |
Nanotechnology |
| Volume |
21 |
Issue |
7 |
Pages |
075705,1-075705,11 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
Epitaxial rare earth manganite thin films (ReMnO3; Re = Tb, Ho, Er, and Y) and multilayers were grown by liquid injection metal organic chemical vapor deposition (MOCVD) on YSZ(111) and the same systems were grown c-oriented on Pt(111) buffered Si substrates. They have been structurally investigated by electron diffraction (ED) and high resolution transmission electron microscopy (HRTEM). Nanodomains of secondary orientation are observed in the hexagonal YMnO3 films. They are related to a YSZ(111) and Pt(111) misorientation. The epitaxial film thickness has an influence on the defect formation. TbO2 and Er2O3 inclusions are observed in the TbMnO3 and ErMnO3 films respectively. The structure and orientation of these inclusions are correlated to the resembling symmetry and structure of film and substrate. The type of defect formed in the YMnO3/HoMnO3 and YMnO3/ErMnO3 multilayers is also influenced by the type of substrate they are grown on. In our work, atomic growth models for the interface between the film/substrate are proposed and verified by comparison with observed and computer simulated images. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
Bristol |
Editor |
|
| Language |
|
Wos |
000273824500018 |
Publication Date |
2010-01-19 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0957-4484;1361-6528; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.44 |
Times cited |
15 |
Open Access |
|
| Notes |
Esteem 026019 |
Approved |
Most recent IF: 3.44; 2010 IF: 3.652 |
| Call Number |
UA @ lucian @ c:irua:80436 |
Serial |
3274 |
| Permanent link to this record |
| |
|
| |
| Author |
Abakumov, A.M.; Rossell, M.D.; Gutnikova, O.Y.; Drozhzhin, O.A.; Leonova, L.S.; Dobrovolsky, Y.A.; Istomin, S.Y.; Van Tendeloo, G.; Antipov, E.V. |
| Title |
Superspace description, crystal structures, and electric conductiof the Ba4In6-xMgxO13-x/2 solid solutions |
Type |
A1 Journal article |
| Year |
2008 |
Publication |
Chemistry of materials |
Abbreviated Journal |
Chem Mater |
| Volume |
20 |
Issue |
13 |
Pages |
4457-4467 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
|
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
Washington, D.C. |
Editor |
|
| Language |
|
Wos |
000257279200041 |
Publication Date |
2008-06-18 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0897-4756;1520-5002; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
9.466 |
Times cited |
15 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 9.466; 2008 IF: 5.046 |
| Call Number |
UA @ lucian @ c:irua:70141 |
Serial |
3383 |
| Permanent link to this record |
| |
|
| |
| Author |
Nikolaev, A.V.; Michel, K.H. |
| Title |
Symmetry lowering at the structural phase transitions in NpO2 and UO2 |
Type |
A1 Journal article |
| Year |
2003 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
| Volume |
68 |
Issue |
5 |
Pages |
054112-054112,7 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
The structural phase transitions with electric-quadrupole long-range order in NpO2 (Fm (3) over barm-->Pn (3) over barm) and UO2 (Fm (3) over barm-->Pa (3) over bar) are analyzed from a group theoretical point of view. In both cases, the symmetry lowering involves three quadrupolar components belonging to the irreducible representation T-2g (Gamma(5)) of O-h and condensing in a triple-q structure at the X point of the Brillouin zone. The Pa (3) over bar structure is close to Pn (3) over barm, but allows for oxygen displacements. The Pa (3) over bar ordering leads to an effective electrostatic attraction between electronic quadrupoles while the Pn (3) over barm ordering results in a repulsion between them. It is concluded that the Pn (3) over barm structure can be stabilized only through some additional process such as strengthening of the chemical bonding between Np and O. We also derive the relevant structure-factor amplitudes for Pn (3) over barm and Pa (3) over bar, and the effect of domains on resonant x-ray scattering experiments. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
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Editor |
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| Language |
|
Wos |
000185240100038 |
Publication Date |
2003-08-29 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0163-1829;1095-3795; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.836 |
Times cited |
15 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 3.836; 2003 IF: NA |
| Call Number |
UA @ lucian @ c:irua:94847 |
Serial |
3405 |
| Permanent link to this record |
| |
|
| |
| Author |
Idrissi, H.; Renard, K.; Schryvers, D.; Jacques, P.J. |
| Title |
TEM investigation of the formation mechanism of deformation twins in Fe-Mn-Si-Al TWIP steels |
Type |
A1 Journal article |
| Year |
2013 |
Publication |
Philosophical magazine |
Abbreviated Journal |
Philos Mag |
| Volume |
93 |
Issue |
35 |
Pages |
4378-4391 |
| Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
| Abstract |
The microstructure of a Fe-Mn-Si-Al twinning-induced plasticity (TWIP) steel exhibiting remarkable work hardening rate under uniaxial tensile deformation was investigated using transmission electron microscopy to uncover the mechanism(s) controlling the nucleation and growth of the mechanically induced twins. The results show that the stair-rod cross-slip deviation mechanism is necessary for the formation of the twins, while large extrinsic stacking faults homogenously distributed within the grains could act as preferential sources for the activation of the deviation process. The influence of such features on the thickness and strength of the twins and the resulting mechanical behaviour is discussed and compared to similar works recently performed on Fe-Mn-C TWIP steels. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
000327478300005 |
Publication Date |
2013-09-12 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
1478-6435;1478-6443; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
1.505 |
Times cited |
15 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 1.505; 2013 IF: 1.427 |
| Call Number |
UA @ lucian @ c:irua:112815 |
Serial |
3478 |
| Permanent link to this record |
| |
|
| |
| Author |
Whaley, L.W.; Lobanov, M.V.; Sheptyakov, D.; Croft, M.; Ramanujachary, K.V.; Lofland, S.; Stephens, P.W.; Her, J.H.; Van Tendeloo, G.; Rossell, M.; Greenblatt, M.; |
| Title |
Sr3Fe5/4Mo3/4O6.9, an n = 2 Ruddlesden-Popper phase: synthesis and properties |
Type |
A1 Journal article |
| Year |
2006 |
Publication |
Chemistry of materials |
Abbreviated Journal |
Chem Mater |
| Volume |
18 |
Issue |
15 |
Pages |
3448-3457 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
|
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
Washington, D.C. |
Editor |
|
| Language |
|
Wos |
000239085900010 |
Publication Date |
2006-06-22 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0897-4756;1520-5002; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
9.466 |
Times cited |
15 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 9.466; 2006 IF: 5.104 |
| Call Number |
UA @ lucian @ c:irua:60579 |
Serial |
3560 |
| Permanent link to this record |
| |
|
| |
| Author |
Mooij, L.; Perkisas, T.; Palsson, G.; Schreuders, H.; Wolff, M.; Hjorvarsson, B.; Bals, S.; Dam, B. |
| Title |
The effect of microstructure on the hydrogenation of Mg/Fe thin film multilayers |
Type |
A1 Journal article |
| Year |
2014 |
Publication |
International journal of hydrogen energy |
Abbreviated Journal |
Int J Hydrogen Energ |
| Volume |
39 |
Issue |
30 |
Pages |
17092-17103 |
| Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
| Abstract |
Nanoconfined magnesium hydride can be simultaneously protected and thermodynamically destabilized when interfaced with materials such as Ti and Fe. We study the hydrogenation of thin layers of Mg (<14 nm) nanoconfined in one dimension within thin film Fe/Mg/Fe/Pd multilayers by the optical technique Hydrogenography. The hydrogenation of nanosized magnesium layers in Fe/Mg/Fe multilayers surprisingly shows the presence of multiple plateau pressures, whose nature is thickness dependent. In contrast, hydrogen desorption occurs via a single plateau which does not depend on the Mg layer thickness. From structural and morphological analyses with X-ray diffraction/reflectometry and cross-section TEM, we find that the Mg layer roughness is large when deposited on Fe and furthermore contains high-angle grain boundaries (GB's). When grown on Ti, the Mg layer roughness is low and no high-angle GB's are detected. From a Ti/Mg/Fe multilayer, in which the Mg layer is flat and has little or no GB's, we conclude that MgH2 is indeed destabilized by the interface with Fe. In this case, both the ab- and desorption plateau pressures are increased by a factor two compared to the hydrogenation of Mg within Ti/Mg/Ti multilayers. We hypothesize that the GB's in the Fe/Mg/Fe multilayer act as diffusion pathways for Pd, which is known to greatly alter the hydrogenation behavior of Mg when the two materials share an interface. Copyright (C) 2014, Hydrogen Energy Publications, LLC. Published by Elsevier Ltd. All rights reserved. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
Oxford |
Editor |
|
| Language |
|
Wos |
000343839000031 |
Publication Date |
2014-09-10 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0360-3199; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.582 |
Times cited |
15 |
Open Access |
Not_Open_Access |
| Notes |
COST Action MP1103 |
Approved |
Most recent IF: 3.582; 2014 IF: 3.313 |
| Call Number |
UA @ lucian @ c:irua:121175 |
Serial |
3575 |
| Permanent link to this record |
| |
|
| |
| Author |
Verbeeck, J.; Bertoni, G.; Schattschneider, P. |
| Title |
The Fresnel effect of a defocused biprism on the fringes in inelastic holography |
Type |
A1 Journal article |
| Year |
2008 |
Publication |
Ultramicroscopy
T2 – 16th International Microscopy Congress, SEP 03-08, 2006, Sapporo, JAPAN |
Abbreviated Journal |
Ultramicroscopy |
| Volume |
108 |
Issue |
3 |
Pages |
263-269 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
We present energy filtered holography experiments on a thin foil of Al. By propagating the reduced density matrix of the probe electron through the microscope, we quantitatively predict the fringe contrast as a function of energy loss. Fringe contrast simulations include the effect of Fresnel fringes created at the edges of the defocused biprism, the effect of partial coherence in combination with inelastic scattering, and the effect of a finite energy distribution of the incoming beam. (c) 2007 Elsevier B.V. All rights reserved. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
Amsterdam |
Editor |
|
| Language |
|
Wos |
000253389100011 |
Publication Date |
2007-11-02 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0304-3991; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
2.843 |
Times cited |
15 |
Open Access |
|
| Notes |
Fwo G.0147.06; Esteem 026019 |
Approved |
Most recent IF: 2.843; 2008 IF: 2.629 |
| Call Number |
UA @ lucian @ c:irua:104035 |
Serial |
3582 |
| Permanent link to this record |
| |
|
| |
| Author |
Milat, O.; Van Tendeloo, G.; Amelinckx, S.; Babu, T.G.N.; Greaves, C. |
| Title |
The modulated structure of Ca.85CuO2 as studied by means of electron diffraction and microscopy |
Type |
A1 Journal article |
| Year |
1992 |
Publication |
Journal of solid state chemistry |
Abbreviated Journal |
J Solid State Chem |
| Volume |
97 |
Issue |
2 |
Pages |
405-418 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
|
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
London |
Editor |
|
| Language |
|
Wos |
A1992HL68700019 |
Publication Date |
2003-12-12 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0022-4596; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
2.133 |
Times cited |
15 |
Open Access |
|
| Notes |
|
Approved |
PHYSICS, APPLIED 47/145 Q2 # |
| Call Number |
UA @ lucian @ c:irua:103042 |
Serial |
3590 |
| Permanent link to this record |
| |
|
| |
| Author |
Martens, T.; Mihailova, D.; van Dijk, J.; Bogaerts, A. |
| Title |
Theoretical characterization of an atmospheric pressure glow discharge used for analytical spectrometry |
Type |
A1 Journal article |
| Year |
2009 |
Publication |
Analytical chemistry |
Abbreviated Journal |
Anal Chem |
| Volume |
81 |
Issue |
21 |
Pages |
9096-9108 |
| Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| Abstract |
We have investigated the plasma processes in an atmospheric pressure glow discharge (APGD) in He used for analytical spectrometry by means of fluid and Monte Carlo (MC) simulations. Typical results include the potential and electric field distributions in the plasma, the density profiles of the various plasma species throughout the discharge, the mean electron energy, as well as the rates of the various collision processes in the plasma, and the relative importance of the different production and loss rates for the various species. The similarities and differences with low-pressure glow discharges are discussed. The main differences are a very small cathode dark space region and a large positive column as well as the dominant role of molecular ions. Some characteristic features of the APGD, such as the occurrence of the different spatial zones in the discharge, are illustrated, with links to experimental observations. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
Washington, D.C. |
Editor |
|
| Language |
|
Wos |
000276191900062 |
Publication Date |
2009-10-08 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0003-2700;1520-6882; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
6.32 |
Times cited |
15 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 6.32; 2009 IF: 5.214 |
| Call Number |
UA @ lucian @ c:irua:79554 |
Serial |
3604 |
| Permanent link to this record |
| |
|
| |
| Author |
Rønnow, T.F.; Pedersen, T.G.; Partoens, B.; Berthelsen, K.K. |
| Title |
Variational quantum Monte Carlo study of charged excitons in fractional dimensional space |
Type |
A1 Journal article |
| Year |
2011 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
| Volume |
84 |
Issue |
3 |
Pages |
035316-035316,13 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
In this article we study excitons and trions in fractional dimensional spaces using the model suggested by C. Palmer [ J. Phys. A: Math. Gen. 37 6987 (2004)] through variational quantum Monte Carlo. We present a direct approach for estimating the exciton binding energy and discuss the von Neumann rejection- and Metropolis sampling methods. A simple variational estimate of trions is presented which shows good agreement with previous calculations done within the fractional dimensional model presented by D. R. Herrick and F. H. Stillinger [ Phys. Rev. A 11 42 (1975) and J. Math. Phys. 18 1224 (1977)]. We explain the spatial physics of the positive and negative trions by investigating angular and inter-atomic distances. We then examine the wave function and explain the differences between the positive and negative trions with heavy holes. As applications of the fractional dimensional model we study three systems: First we apply the model to estimate the energy of the hydrogen molecular ion H2+. Then we estimate trion binding energies in GaAs-based quantum wells and we demonstrate a good agreement with other theoretical work as well as experimentally observed binding energies. Finally, we apply the results to carbon nanotubes. We find good agreement with recently observed binding energies of the positively charged trion. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
000293129200012 |
Publication Date |
2011-07-26 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.836 |
Times cited |
15 |
Open Access |
|
| Notes |
; ; |
Approved |
Most recent IF: 3.836; 2011 IF: 3.691 |
| Call Number |
UA @ lucian @ c:irua:91741 |
Serial |
3837 |
| Permanent link to this record |
| |
|
| |
| Author |
Bittencourt, C.; Hitchock, A.P.; Ke, X.; Van Tendeloo, G.; Ewels, C.P.; Guttmann, P. |
| Title |
X-ray absorption spectroscopy by full-field X-ray microscopy of a thin graphite flake: Imaging and electronic structure via the carbon K-edge |
Type |
A1 Journal article |
| Year |
2012 |
Publication |
Beilstein journal of nanotechnology |
Abbreviated Journal |
Beilstein J Nanotech |
| Volume |
3 |
Issue |
|
Pages |
345-350 |
| Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
| Abstract |
We demonstrate that near-edge X-ray-absorption fine-structure spectra combined with full-field transmission X-ray microscopy can be used to study the electronic structure of graphite flakes consisting of a few graphene layers. The flake was produced by exfoliation using sodium cholate and then isolated by means of density-gradient ultracentrifugation. An image sequence around the carbon K-edge, analyzed by using reference spectra for the in-plane and out-of-plane regions of the sample, is used to map and spectrally characterize the flat and folded regions of the flake. Additional spectral features in both π and σ regions are observed, which may be related to the presence of topological defects. Doping by metal impurities that were present in the original exfoliated graphite is indicated by the presence of a pre-edge signal at 284.2 eV. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
000303243400001 |
Publication Date |
2012-04-25 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
2190-4286; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.127 |
Times cited |
15 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 3.127; 2012 IF: 2.374 |
| Call Number |
UA @ lucian @ c:irua:97703 |
Serial |
3924 |
| Permanent link to this record |
| |
|
| |
| Author |
Sadeghi, A.; Neek-Amal, M.; Berdiyorov, G.R.; Peeters, F.M. |
| Title |
Diffusion of fluorine on and between graphene layers |
Type |
A1 Journal article |
| Year |
2015 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
| Volume |
91 |
Issue |
91 |
Pages |
014304 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
Using first-principles calculations and reactive force field molecular dynamics simulations, we study the structural properties and dynamics of a fluorine (F) atom, either adsorbed on the surface of single layer graphene (F/GE) or between the layers of AB stacked bilayer graphene (F@ bilayer graphene). It is found that the diffusion of the F atom is very different in those cases, and that the mobility of the F atom increases by about an order of magnitude when inserted between two graphene layers. The obtained diffusion constant for F/GE is twice larger than that experimentally found for gold adatom and theoretically found for C-60 molecule on graphene. Our study provides important physical insights into the dynamics of fluorine atoms between and on graphene layers and explains the mechanism behind the separation of graphite layers due to intercalation of F atoms. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
Lancaster, Pa |
Editor |
|
| Language |
|
Wos |
000349125800002 |
Publication Date |
2015-01-08 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
1098-0121; 1550-235x |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.836 |
Times cited |
15 |
Open Access |
|
| Notes |
; This work was supported by the Flemish Science Foundation (FWO-VI) and the Methusalem Foundation of the Flemish Government. ; |
Approved |
Most recent IF: 3.836; 2015 IF: 3.736 |
| Call Number |
UA @ lucian @ c:irua:132561 |
Serial |
4161 |
| Permanent link to this record |
| |
|
| |
| Author |
Cai, H.; Kang, J.; Sahin, H.; Chen, B.; Suslu, A.; Wu, K.; Peeters, F.; Meng, X.; Tongay, S. |
| Title |
Exciton pumping across type-I gallium chalcogenide heterojunctions |
Type |
A1 Journal article |
| Year |
2016 |
Publication |
Nanotechnology |
Abbreviated Journal |
Nanotechnology |
| Volume |
27 |
Issue |
27 |
Pages |
065203 |
| Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
| Abstract |
Quasi-two-dimensional gallium chalcogenide heterostructures are created by transferring exfoliated few-layer GaSe onto bulk GaTe sheets. Luminescence spectroscopy measurements reveal that the light emission from underlying GaTe layers drastically increases on heterojunction regions where GaSe layers make contact with the GaTe. Density functional theory (DFT) and band offset calculations show that conduction band minimum (CBM) (valance band maximum (VBM)) values of GaSe are higher (lower) in energy compared to GaTe, forming type-I band alignment at the interface. Consequently, GaSe layers provide photo-excited electrons and holes to GaTe sheets through relatively large built-in potential at the interface, increasing overall exciton population and light emission from GaTe. Observed results are not specific to the GaSe/GaTe system but observed on GaS/GaSe heterolayers with type-I band alignment. Observed experimental findings and theoretical studies provide unique insights into interface effects across dissimilar gallium chalcogenides and offer new ways to boost optical performance by simple epitaxial coating. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
Bristol |
Editor |
|
| Language |
|
Wos |
000368897100008 |
Publication Date |
2016-01-13 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0957-4484 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.44 |
Times cited |
15 |
Open Access |
|
| Notes |
; This work was supported by the Arizona State University seeding program, the Flemish Science Foundation (FWO-Vl) and the Methusalem foundation of the Flemish government. HS is supported by a FWO Pegasus Long Marie Curie Fellowship. JK is supported by a FWO Pegasus-short Marie Curie Fellowship. We acknowledge the use of the John M Cowley Center for High Resolution Electron Microscopy at Arizona State University. The authors thank Anupum Pant for useful discussions. We gratefully acknowledge the use of the facilities at the LeRoy Eyring Center for Solid State Science at Arizona State University. S Tongay acknowledges support from DMR-1552220. ; |
Approved |
Most recent IF: 3.44 |
| Call Number |
UA @ lucian @ c:irua:131570 |
Serial |
4179 |
| Permanent link to this record |
| |
|
| |
| Author |
Gjorgievska, E.; Van Tendeloo, G.; Nicholson, J.W.; Coleman, N.J.; Slipper, I.J.; Booth, S. |
| Title |
The incorporation of nanoparticles into conventional glass-ionomer dental restorative cements |
Type |
A1 Journal article |
| Year |
2015 |
Publication |
Microscopy and microanalysis |
Abbreviated Journal |
Microsc Microanal |
| Volume |
21 |
Issue |
21 |
Pages |
392-406 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
Conventional glass-ionomer cements (GICs) are popular restorative materials, but their use is limited by their relatively low mechanical strength. This paper reports an attempt to improve these materials by incorporation of 10 wt% of three different types of nanoparticles, aluminum oxide, zirconium oxide, and titanium dioxide, into two commercial GICs (ChemFil((R)) Rock and EQUIA (TM) Fil). The results indicate that the nanoparticles readily dispersed into the cement matrix by hand mixing and reduced the porosity of set cements by filling the empty spaces between the glass particles. Both cements showed no significant difference in compressive strength with added alumina, and ChemFil((R)) Rock also showed no significant difference with zirconia. By contrast, ChemFil((R)) Rock showed significantly higher compressive strength with added titania, and EQUIA (TM) Fil showed significantly higher compressive strength with both zirconia and titania. Fewer air voids were observed in all nanoparticle-containing cements and this, in turn, reduced the development of cracks within the matrix of the cements. These changes in microstructure provide a likely reason for the observed increases in compressive strength, and overall the addition of nanoparticles appears to be a promising strategy for improving the physical properties of GICs. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
Cambridge, Mass. |
Editor |
|
| Language |
|
Wos |
000353514700014 |
Publication Date |
2015-02-18 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
1431-9276 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
1.891 |
Times cited |
15 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 1.891; 2015 IF: 1.877 |
| Call Number |
UA @ lucian @ c:irua:132523 |
Serial |
4194 |
| Permanent link to this record |
| |
|
| |
| Author |
Ghorbanfekr-Kalashami, H.; Neek-Amal, M.; Peeters, F.M. |
| Title |
N-doped graphene : polarization effects and structural properties |
Type |
A1 Journal article |
| Year |
2016 |
Publication |
Physical review B |
Abbreviated Journal |
Phys Rev B |
| Volume |
93 |
Issue |
93 |
Pages |
174112 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
The structural and mechanical properties of N-doped graphene (NG) are investigated using reactive force field (ReaxFF) potentials in large-scale molecular dynamics simulations. We found that ripples, which are induced by the dopants, change the roughness of NG, which depends on the number of dopants and their local arrangement. For any doping ratio N/C, the NG becomes ferroelectric with a net dipole moment. The formation energy increases nonlinearly with N/C ratio, while the Young's modulus, tensile strength, and intrinsic strain decrease with the number of dopants. Our results for the structural deformation and the thermoelectricity of the NG sheet are in good agreement with recent experiments and ab initio calculations. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
000376245900002 |
Publication Date |
2016-05-20 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
2469-9950;2469-9969; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.836 |
Times cited |
15 |
Open Access |
|
| Notes |
; This work was supported by the ESF-Eurographene project CONGRAN, and the Flemish Science Foundation (FWO-Vl). ; |
Approved |
Most recent IF: 3.836 |
| Call Number |
UA @ lucian @ c:irua:134148 |
Serial |
4212 |
| Permanent link to this record |
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| Author |
Callewaert, V.; Shastry, K.; Saniz, R.; Makkonen, I.; Barbiellini, B.; Assaf, B.A.; Heiman, D.; Moodera, J.S.; Partoens, B.; Bansil, A.; Weiss, A.H.; |
| Title |
Positron surface state as a spectroscopic probe for characterizing surfaces of topological insulator materials |
Type |
A1 Journal article |
| Year |
2016 |
Publication |
Physical review B |
Abbreviated Journal |
Phys Rev B |
| Volume |
94 |
Issue |
94 |
Pages |
115411 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
Topological insulators are attracting considerable interest due to their potential for technological applications and as platforms for exploring wide-ranging fundamental science questions. In order to exploit, fine-tune, control, and manipulate the topological surface states, spectroscopic tools which can effectively probe their properties are of key importance. Here, we demonstrate that positrons provide a sensitive probe for topological states and that the associated annihilation spectrum provides a technique for characterizing these states. Firm experimental evidence for the existence of a positron surface state near Bi2Te2Se with a binding energy of E-b = 2.7 +/- 0.2 eV is presented and is confirmed by first-principles calculations. Additionally, the simulations predict a significant signal originating from annihilation with the topological surface states and show the feasibility to detect their spin texture through the use of spin-polarized positron beams. |
| Address |
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| Corporate Author |
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Thesis |
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Place of Publication |
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Editor |
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| Language |
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Wos |
000383232800012 |
Publication Date |
2016-09-06 |
| 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 |
2469-9950;2469-9969; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.836 |
Times cited |
15 |
Open Access |
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| Notes |
; I.M. acknowledges discussions with M. Ervasti and A. Harju. V.C. and R.S. were supported by the FWO-Vlaanderen through Project No. G. 0224.14N. The computational resources and services used in this paper were, in part, provided by the VSC (Flemish Supercomputer Center) and the HPC infrastructure of the University of Antwerp (CalcUA), both funded by the Hercules Foundation and the Flemish Government (EWI Department). I.M. acknowledges financial support from the Academy of Finland (Projects No. 285809 and No. 293932). The work at Northeastern University was supported by the U.S. Department of Energy (DOE), Office of Science, Basic Energy Sciences Grant No. DE-FG02-07ER46352 and benefited from Northeastern University's Advanced Scientific Computation Center (ASCC) and the NERSC supercomputing center through DOE Grant No. DE-AC02-05CH11231. K.S. and A.W. acknowledge financial support from the National Science Foundation through Grants No. DMR-MRI-1338130 and No. DMR-1508719. D.H. received financial support from the National Science Foundation (Grant No. ECCS-1402738). J.S.M. was supported by the STC Center for Integrated Quantum Materials under NSF Grants No. DMR-1231319, No. DMR-1207469, and ONR Grant No. N00014-13-1-0301. B.A.A. also acknowledges support from the LabEx ENS-ICFP Grant No. ANR-10-LABX-0010/ANR-10-IDEX-0001-02 PSL. ; |
Approved |
Most recent IF: 3.836 |
| Call Number |
UA @ lucian @ c:irua:137134 |
Serial |
4362 |
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| Author |
Barreca, D.; Carraro, G.; Gasparotto, A.; Maccato, C.; Warwick, M.E.A.; Toniato, E.; Gombac, V.; Sada, C.; Turner, S.; Van Tendeloo, G.; Fornasiero, P.; |
| Title |
Iron-titanium oxide nanocomposites functionalized with gold particles : from design to solar hydrogen production |
Type |
A1 Journal article |
| Year |
2016 |
Publication |
Advanced Materials Interfaces |
Abbreviated Journal |
Adv Mater Interfaces |
| Volume |
3 |
Issue |
3 |
Pages |
1600348 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
Hematite-titania nanocomposites, eventually functionalized with gold nanoparticles (NPs), are designed and developed by a plasma-assisted strategy, consisting in: (i) the plasma enhanced-chemical vapor deposition of -Fe2O3 on fluorine-doped tin oxide substrates; the radio frequency-sputtering of (ii) TiO2, and (iii) Au in controlled amounts. A detailed chemicophysical characterization, carried out through a multitechnique approach, reveals that the target materials are composed by interwoven -Fe2O3 dendritic structures, possessing a high porosity and active area. TiO2 introduction results in the formation of an ultrathin titania layer uniformly covering Fe2O3, whereas Au sputtering yields a homogeneous dispersion of low-sized gold NPs. Due to the intimate and tailored interaction between the single constituents and their optical properties, the resulting composite materials are successfully exploited for solar-driven applications. In particular, promising photocatalytic performances in H-2 production by reforming of water-ethanol solutions under simulated solar illumination are obtained. The related insights, presented and discussed in this work, can yield useful guidelines to boost the performances of nanostructured photocatalysts for energy-related applications. |
| Address |
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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 |
000383783200021 |
Publication Date |
2016-07-20 |
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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 |
2196-7350; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
4.279 |
Times cited |
15 |
Open Access |
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| Notes |
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Approved |
Most recent IF: 4.279 |
| Call Number |
UA @ lucian @ c:irua:137154 |
Serial |
4389 |
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| Author |
Li, L.; Leenaerts, O.; Kong, X.; Chen, X.; Zhao, M.; Peeters, F.M. |
| Title |
Gallium bismuth halide GaBi-X2 (X = I, Br, Cl) monolayers with distorted hexagonal framework: Novel room-temperature quantum spin Hall insulators |
Type |
A1 Journal article |
| Year |
2017 |
Publication |
Nano Research |
Abbreviated Journal |
Nano Res |
| Volume |
10 |
Issue |
10 |
Pages |
2168-2180 |
| Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
| Abstract |
Quantum spin Hall (QSH) insulators with a large topologically nontrivial bulk gap are crucial for future applications of the QSH effect. Among these, group III-V monolayers and their halides, which have a chair structure (regular hexagonal framework), have been widely studied. Using first-principles calculations, we formulate a new structure model for the functionalized group III-V monolayers, which consist of rectangular GaBi-X-2 (X = I, Br, Cl) monolayers with a distorted hexagonal framework (DHF). These structures have a far lower energy than the GaBi-X-2 monolayers with a chair structure. Remarkably, the DHF GaBi-X-2 monolayers are all QSH insulators, which exhibit sizeable nontrivial band gaps ranging from 0.17 to 0.39 eV. The band gaps can be widely tuned by applying different spin-orbit coupling strengths, resulting in a distorted Dirac cone. |
| Address |
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Thesis |
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Place of Publication |
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Editor |
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| Language |
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Wos |
000401320700029 |
Publication Date |
2017-04-08 |
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Series Title |
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Abbreviated Series Title |
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Series Issue |
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Edition |
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| ISSN |
1998-0124 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
7.354 |
Times cited |
15 |
Open Access |
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| Notes |
; This work was supported by the Fonds voor Wetenschappelijk Onderzoek (FWO-Vl). The computational resources and services used in this work were provided by the VSC (Flemish Supercomputer Center), funded by the Research Foundation-Flanders (FWO) and the Flemish Government-department EWI. ; |
Approved |
Most recent IF: 7.354 |
| Call Number |
UA @ lucian @ c:irua:143739 |
Serial |
4598 |
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| Author |
Wang, L.; Hu, Z.-Y.; Yang, X.-Y.; Zhang, B.-B.; Geng, W.; Van Tendeloo, G.; Su, B.-L. |
| Title |
Polydopamine nanocoated whole-cell asymmetric biocatalysts |
Type |
A1 Journal article |
| Year |
2017 |
Publication |
Chemical communications |
Abbreviated Journal |
Chem Commun |
| Volume |
53 |
Issue |
49 |
Pages |
6617-6620 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
Our whole-cell biocatalyst with a polydopamine nanocoating shows high catalytic activity (5 times better productivity than the native cell) and reusability (84% of the initial yield after 5 batches, 8 times higher than the native cell) in asymmetric reduction. It also integrates with titania, silica, and magnetic nanoparticles for multi-functionalization. |
| Address |
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Thesis |
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Place of Publication |
London |
Editor |
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Wos |
000403572100018 |
Publication Date |
2017-05-25 |
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Series Title |
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Abbreviated Series Title |
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Series Issue |
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Edition |
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| ISSN |
1359-7345; 1364-548x |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
6.319 |
Times cited |
15 |
Open Access |
OpenAccess |
| Notes |
; This work was supported by PCSIRT (IRT_15R52), NSFC (U1663225, U1662134, 51472190, 51611530672, 51503166), ISTCP (2015DFE52870), HPNSF (2016CFA033), CNPC (PPC2016007) and the China Scholarship Council (CSC). We thank Prof. Damien Hermand (URPhyM in UNamur) for help with cell culture, Ms Noelle Ninane (Narilis in UNamur) for help with CLSM characterization and Ms Siming Wu (WHUT) for help with magnetic property characterization. ; |
Approved |
Most recent IF: 6.319 |
| Call Number |
UA @ lucian @ c:irua:144185 |
Serial |
4681 |
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