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Records |
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Author |
Lioutas, C.B.; Manolikas, C.; Van Tendeloo, G.; van Landuyt, J. |
|
Title |
A 2a2b3c superstructure in hexagonal NiS1-x: a study by means of electron diffraction and HREM |
Type |
A1 Journal article |
|
Year |
1993 |
Publication |
Journal of crystal growth |
Abbreviated Journal |
J Cryst Growth |
|
Volume |
126 |
Issue |
|
Pages |
457-465 |
|
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Amsterdam |
Editor |
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Language |
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Wos |
A1993KH92500029 |
Publication Date |
0000-00-00 |
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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 |
0022-0248 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
Impact Factor |
1.698 |
Times cited |
4 |
Open Access |
|
|
Notes |
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Approved |
no |
|
Call Number |
UA @ lucian @ c:irua:7499 |
Serial |
9 |
Permanent link to this record |
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Author |
Goessens, C.; Schryvers, D.; van Landuyt, J.; Amelinckx, S.; Verbeeck, A.; de Keyzer, R. |
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Title |
Characterization of crystal defects in mixed tabular silver halide grains by conventional transmission electron microscopy and X-ray diffractometry |
Type |
A1 Journal article |
|
Year |
1991 |
Publication |
Journal of crystal growth |
Abbreviated Journal |
J Cryst Growth |
|
Volume |
110 |
Issue |
|
Pages |
930-941 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Amsterdam |
Editor |
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Language |
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Wos |
A1991FL02100033 |
Publication Date |
0000-00-00 |
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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 |
0022-0248 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
Impact Factor |
1.698 |
Times cited |
40 |
Open Access |
|
|
Notes |
|
Approved |
|
|
Call Number |
UA @ lucian @ c:irua:48349 |
Serial |
321 |
Permanent link to this record |
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Author |
Volkov, V.V.; van Landuyt, J.; Marushkin, K.M.; Gijbels, R.; Férauge, C.; Vasilyev, M.G.; Shelyakin, A.A.; Sokolovsky, A.A. |
|
Title |
Characterization of LPE grown InGaAsP/InP heterostructures: IR-LED at 1.66 μm used for the remote monitoring of methane gas |
Type |
A1 Journal article |
|
Year |
1997 |
Publication |
Journal of crystal growth |
Abbreviated Journal |
J Cryst Growth |
|
Volume |
173 |
Issue |
|
Pages |
285-296 |
|
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Amsterdam |
Editor |
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Language |
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Wos |
A1997XC98100008 |
Publication Date |
0000-00-00 |
|
Series Editor |
|
Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
|
ISSN |
0022-0248 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
Impact Factor |
1.751 |
Times cited |
4 |
Open Access |
|
|
Notes |
|
Approved |
Most recent IF: 1.751; 1997 IF: 1.259 |
|
Call Number |
UA @ lucian @ c:irua:20459 |
Serial |
324 |
Permanent link to this record |
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Author |
Goessens, C.; Schryvers, D.; van Landuyt, J.; de Keyzer, R. |
|
Title |
Electron microscopical investigation of tetrahedral-shaped AgBr microcrystals |
Type |
A1 Journal article |
|
Year |
1997 |
Publication |
Journal of crystal growth |
Abbreviated Journal |
J Cryst Growth |
|
Volume |
172 |
Issue |
|
Pages |
426-432 |
|
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Amsterdam |
Editor |
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|
Language |
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Wos |
A1997WL65300018 |
Publication Date |
0000-00-00 |
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
ISSN |
0022-0248 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
Impact Factor |
1.751 |
Times cited |
15 |
Open Access |
|
|
Notes |
|
Approved |
Most recent IF: 1.751; 1997 IF: 1.259 |
|
Call Number |
UA @ lucian @ c:irua:21345 |
Serial |
942 |
Permanent link to this record |
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Author |
Frangis, N.; Stoemenos, J.; van Landuyt, J.; Nejim, A.; Hemment, P.L.F. |
|
Title |
The formation of 3C-SiC in crystalline Si by carbon implantation at 9500C and annealing: a structural study |
Type |
A1 Journal article |
|
Year |
1997 |
Publication |
Journal of crystal growth |
Abbreviated Journal |
J Cryst Growth |
|
Volume |
181 |
Issue |
|
Pages |
218-228 |
|
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Amsterdam |
Editor |
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Language |
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Wos |
A1997YD52700007 |
Publication Date |
0000-00-00 |
|
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
|
ISSN |
0022-0248 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
Impact Factor |
1.751 |
Times cited |
9 |
Open Access |
|
|
Notes |
|
Approved |
Most recent IF: 1.751; 1997 IF: 1.259 |
|
Call Number |
UA @ lucian @ c:irua:21415 |
Serial |
1253 |
Permanent link to this record |
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|
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Author |
Frangis, N.; van Landuyt, J.; Kaltsas, G.; Travlos, A.; Nassiopoulos, A.G. |
|
Title |
Growth of erbium-silicide films on (100) silicon as characterised by electron microscopy and diffraction |
Type |
A1 Journal article |
|
Year |
1997 |
Publication |
Journal of crystal growth |
Abbreviated Journal |
J Cryst Growth |
|
Volume |
172 |
Issue |
|
Pages |
175-182 |
|
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Amsterdam |
Editor |
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|
Language |
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Wos |
A1997WL48900024 |
Publication Date |
0000-00-00 |
|
Series Editor |
|
Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
|
ISSN |
0022-0248 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
Impact Factor |
1.751 |
Times cited |
29 |
Open Access |
|
|
Notes |
|
Approved |
Most recent IF: 1.751; 1997 IF: 1.259 |
|
Call Number |
UA @ lucian @ c:irua:21402 |
Serial |
1394 |
Permanent link to this record |
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Author |
Cloots, R.; Rulmont, A.; Krekels, T.; Van Tendeloo, G.; Diko, P.; Ausloos, M. |
|
Title |
Investigation by electron diffraction microscopy of (RE)BaCuOS polycrystalline ceramic compounds: interpretation of unexpected superstructures and influence of secondary phases |
Type |
A1 Journal article |
|
Year |
1993 |
Publication |
Journal of crystal growth |
Abbreviated Journal |
J Cryst Growth |
|
Volume |
129 |
Issue |
|
Pages |
394-404 |
|
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
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|
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Amsterdam |
Editor |
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Language |
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Wos |
A1993KY53000003 |
Publication Date |
0000-00-00 |
|
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
|
ISSN |
0022-0248 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
Impact Factor |
1.698 |
Times cited |
5 |
Open Access |
|
|
Notes |
|
Approved |
no |
|
Call Number |
UA @ lucian @ c:irua:7503 |
Serial |
1726 |
Permanent link to this record |
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|
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Author |
Bernaerts, D.; Amelinckx, S.; Van Tendeloo, G.; van Landuyt, J. |
|
Title |
Microstructure and formation mechanisms of cylindrical and conical scrolls of the misfit layer compounds PbNbnS2n+1 |
Type |
A1 Journal article |
|
Year |
1997 |
Publication |
Journal of crystal growth |
Abbreviated Journal |
J Cryst Growth |
|
Volume |
172 |
Issue |
|
Pages |
433-439 |
|
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
|
Abstract |
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|
Address |
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Corporate Author |
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Thesis |
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Publisher |
|
Place of Publication |
Amsterdam |
Editor |
|
|
Language |
|
Wos |
A1997WL65300019 |
Publication Date |
0000-00-00 |
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
ISSN |
0022-0248 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
Impact Factor |
1.751 |
Times cited |
23 |
Open Access |
|
|
Notes |
|
Approved |
Most recent IF: 1.751; 1997 IF: 1.259 |
|
Call Number |
UA @ lucian @ c:irua:21405 |
Serial |
2051 |
Permanent link to this record |
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Author |
Stosic, D.; Stosic, D.; Ludermir, T.; Stosic, B.; Milošević, M.V. |
|
Title |
GPU-advanced 3D electromagnetic simulations of superconductors in the Ginzburg-Landau formalism |
Type |
A1 Journal article |
|
Year |
2016 |
Publication |
Journal of computational physics |
Abbreviated Journal |
J Comput Phys |
|
Volume |
322 |
Issue |
322 |
Pages |
183-198 |
|
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
Abstract |
Ginzburg-Landau theory is one of the most powerful phenomenological theories in physics, with particular predictive value in superconductivity. The formalism solves coupled nonlinear differential equations for both the electronic and magnetic responsiveness of a given superconductor to external electromagnetic excitations. With order parameter varying on the short scale of the coherence length, and the magnetic field being long-range, the numerical handling of 3D simulations becomes extremely challenging and time-consuming for realistic samples. Here we show precisely how one can employ graphics-processing units (GPUs) for this type of calculations, and obtain physics answers of interest in a reasonable time-frame – with speedup of over 100x compared to best available CPU implementations of the theory on a 2563grid. (C) 2016 Elsevier Inc. 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 |
New York |
Editor |
|
|
Language |
|
Wos |
000381585100010 |
Publication Date |
2016-06-28 |
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
|
ISSN |
0021-9991 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
Impact Factor |
2.744 |
Times cited |
4 |
Open Access |
|
|
Notes |
; This work was supported through research grants from Brazilian agencies CNPq (306719/2012-6, 140840/2016-8) and FACEPE (IBPG-0510-1.03/15), BOF-UA, and the Research Foundation-Flanders (FWO-Vlaanderen). ; |
Approved |
Most recent IF: 2.744 |
|
Call Number |
UA @ lucian @ c:irua:137115 |
Serial |
4354 |
Permanent link to this record |
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|
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Author |
Van de Put, M.L.; Sorée, B.; Magnus, W. |
|
Title |
Efficient solution of the Wigner-Liouville equation using a spectral decomposition of the force field |
Type |
A1 Journal article |
|
Year |
2017 |
Publication |
Journal of computational physics |
Abbreviated Journal |
J Comput Phys |
|
Volume |
350 |
Issue |
|
Pages |
314-325 |
|
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
Abstract |
The Wigner-Liouville equation is reformulated using a spectral decomposition of the classical force field instead of the potential energy. The latter is shown to simplify the Wigner-Liouville kernel both conceptually and numerically as the spectral force Wigner-Liouville equation avoids the numerical evaluation of the highly oscillatory Wigner kernel which is nonlocal in both position and momentum. The quantum mechanical evolution is instead governed by a term local in space and non-local in momentum, where the non locality in momentum has only a limited range. An interpretation of the time evolution in terms of two processes is presented; a classical evolution under the influence of the averaged driving field, and a probability-preserving quantum-mechanical generation and annihilation term. Using the inherent stability and reduced complexity, a direct deterministic numerical implementation using Chebyshev and Fourier pseudo-spectral methods is detailed. For the purpose of illustration, we present results for the time evolution of a one-dimensional resonant tunneling diode driven out of equilibrium. (C) 2017 Elsevier Inc. 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 |
New York |
Editor |
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Language |
|
Wos |
000413379000016 |
Publication Date |
2017-09-02 |
|
Series Editor |
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Series Title |
|
Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
|
ISSN |
0021-9991 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
Impact Factor |
2.744 |
Times cited |
5 |
Open Access |
|
|
Notes |
; ; |
Approved |
Most recent IF: 2.744 |
|
Call Number |
UA @ lucian @ c:irua:146630 |
Serial |
4780 |
Permanent link to this record |
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Author |
Herregods, S.J.F.; Mertens, M.; Van Havenbergh, K.; Van Tendeloo, G.; Cool, P.; Buekenhoudt, A.; Meynen, V. |
|
Title |
Controlling pore size and uniformity of mesoporous titania by early stage low temperature stabilization |
Type |
A1 Journal article |
|
Year |
2013 |
Publication |
Journal of colloid and interface science |
Abbreviated Journal |
J Colloid Interf Sci |
|
Volume |
391 |
Issue |
|
Pages |
36-44 |
|
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Laboratory of adsorption and catalysis (LADCA) |
|
Abstract |
The control of the formation process during and after self-assembly is of utmost importance to achieve well structured, controlled template-assisted mesoporous titania materials with the desired properties for various applications via the evaporation induced self-assembly method (EISA). The present paper reports on the large influence of the thermal stabilization and successive template removal on the pore structure of a mesostructured TiO2 material using the diblock copolymer Brij 58 as surfactant. A controlled thermal stabilization (temperature and duration) allows one to tailor the final pore size and uniformity much more precise by influencing the self-assembly of the template. Moreover, also the successive thermal template removal needs to be controlled in order to avoid a structural collapse. N2-sorption, TGA, TEM, FT-Raman spectroscopy, and small angle wide angle XRD have been used to follow the crystal growth and mesostructure organization after thermal stabilization and after thermal template removal, revealing its effect on the final pore structure. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
|
Place of Publication |
New York, N.Y. |
Editor |
|
|
Language |
|
Wos |
000312039000006 |
Publication Date |
2012-10-12 |
|
Series Editor |
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Series Title |
|
Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
|
ISSN |
0021-9797; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
Impact Factor |
4.233 |
Times cited |
12 |
Open Access |
|
|
Notes |
|
Approved |
Most recent IF: 4.233; 2013 IF: 3.552 |
|
Call Number |
UA @ lucian @ c:irua:101757 |
Serial |
506 |
Permanent link to this record |
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|
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Author |
Liu, J.; Jin, J.; Deng, Z.; Huang, S.Z.; Hu, Z.Y.; Wang, L.; Wang, C.; Chen, L.H.; Li, Y.; Van Tendeloo, G.; Su, B.L.; |
|
Title |
Tailoring CuO nanostructures for enhanced photocatalytic property |
Type |
A1 Journal article |
|
Year |
2012 |
Publication |
Journal of colloid and interface science |
Abbreviated Journal |
J Colloid Interf Sci |
|
Volume |
384 |
Issue |
|
Pages |
1-9 |
|
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
|
Abstract |
We report on one-pot synthesis of various morphologies of CuO nanostructures. PEG200 as a structure directing reagent under the synergism of alkalinity by hydrothermal method has been employed to tailor the morphology of CuO nanostructures. The CuO products have been characterized by XRD, SEM, and TEM. The morphologies of the CuO nanostructures can be tuned from 10 (nanoseeds, nanoribbons) to 2D (nanoleaves) and to 3D (shuttle-like, shrimp-like, and nanoflowers) by changing the volume of PEG200 and the alkalinity in the reaction system. At neutral and relatively low alkalinity (OH-/Cu2+ <= 3), the addition of PEG200 can strongly influence the morphologies of the CuO nanostructures. At high alkalinity (OH/Cu2+ >= 4), PEG200 has no influence on the morphology of the CuO nanostructure. The different morphologies of the CuO nanostructures have been used for the photodecomposition of the pollutant rhodamine B (RhB) in water. The photocatalytic activity has been correlated with the different nanostructures of CuO. The 10 CuO nanoribbons exhibit the best performance on the RhB photodecomposition because of the exposed high surface energy {-121} crystal plane. The photocatalytic results show that the high energy surface planes of the CuO nanostructures mostly affect the photocatalytic activity rather than the morphology of the CuO nanostructures. Our synthesis method also shows it is possible to control the morphologies of nanostructures in a simple way. (C) 2012 Elsevier Inc. 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 |
New York, N.Y. |
Editor |
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Language |
|
Wos |
000308337700001 |
Publication Date |
2012-06-27 |
|
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 |
0021-9797; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
Impact Factor |
4.233 |
Times cited |
105 |
Open Access |
|
|
Notes |
|
Approved |
Most recent IF: 4.233; 2012 IF: 3.172 |
|
Call Number |
UA @ lucian @ c:irua:101796 |
Serial |
3468 |
Permanent link to this record |
|
|
|
|
Author |
Li, Y.; Yang, X.-Y.; Rooke, J.; Van Tendeloo, G.; Su, B.-L. |
|
Title |
Ultralong Cu(OH)(2) and CuO nanowire bundles: PEG200-directed crystal growth for enhanced photocatalytic performance |
Type |
A1 Journal article |
|
Year |
2010 |
Publication |
Journal of colloid and interface science |
Abbreviated Journal |
J Colloid Interf Sci |
|
Volume |
348 |
Issue |
2 |
Pages |
303-312 |
|
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
|
Abstract |
Ultralong Cu(OH)(2) and CuO nanowire bundles with lengths ranging from tens to hundreds of micrometers have been selectively synthesized on a large scale by a facile solution-phase method, using PEG200 as growth-directing agent. The growth mechanisms were investigated by monitoring the nanowire evolution process. The results showed that under the action of PEG200 molecules, the Cu(OH)(2) and CuO nanowires were first formed through oriented attachment of colloidal particles, then through side self-assembly leading to nanowire bundles, and finally to CuO nanoleaves. PEG200 plays a critical role in the synthesis of nanowires as it not only prevents the random aggregation of colloidal particles toward CuO nanoleaves but also helps to orientate nanowire growth by the coalescence and alignment in one direction of the colloidal particles. The concentration of OH(-) in the reaction system is also important for nanowire growth. In the absence of PEG200, nanoleaves are formed by an Ostwald ripening process. The band-gap value estimated from a UV-Vis absorption spectrum of CuO nanowire bundles is 2.32 eV. The photodegradation of a model pollutant, rhodamine B, by CuO nanowires and nanoleaves was compared with commercial nanopowders, showing that the as-synthesized ultralong CuO polycrystalline nanowire bundles have an enhanced photocatalytic activity with 87% decomposition of rhodamine B after an 8-h reaction, which was much higher than that of single-crystal nanoleaves (61%) and commercial nanopowders (32%). The origin of the high photocatalytic activity of these new polycrystalline CuO nanowire bundles has been discussed. This present work reveals that the (0 0 2) crystallographic surface is more favorable for photocatalytic decomposition of organic compounds and that these ultralong CuO nanowire bundles are potential candidates for photocatalysts in wastewater treatment. (C) 2010 Elsevier Inc. 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 |
New York, N.Y. |
Editor |
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|
Language |
|
Wos |
000279968700002 |
Publication Date |
2010-04-26 |
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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 |
|
Edition |
|
|
ISSN |
0021-9797; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
Impact Factor |
4.233 |
Times cited |
70 |
Open Access |
|
|
Notes |
|
Approved |
Most recent IF: 4.233; 2010 IF: 3.068 |
|
Call Number |
UA @ lucian @ c:irua:95589 |
Serial |
3795 |
Permanent link to this record |
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|
|
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Author |
Zhao, H.; Li, C.-F.; Hu, Z.-Y.; Liu, J.; Li, Y.; Hu, J.; Van Tendeloo, G.; Chen, L.-H.; Su, B.-L. |
|
Title |
Size effect of bifunctional gold in hierarchical titanium oxide-gold-cadmium sulfide with slow photon effect for unprecedented visible-light hydrogen production |
Type |
A1 Journal article |
|
Year |
2021 |
Publication |
Journal Of Colloid And Interface Science |
Abbreviated Journal |
J Colloid Interf Sci |
|
Volume |
604 |
Issue |
|
Pages |
131-139 |
|
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
|
Abstract |
Gold nanoparticles (Au NPs) with surface plasmonic resonance (SPR) effect and excellent internal electron transfer ability have widely been combined with semiconductors for photocatalysis. However, the in-depth effects of Au NPs in multicomponent photocatalysts have not been completely understood. Herein, ternary titanium oxide-gold-cadmium sulfide (TiO2-Au-CdS, TAC) photocatalysts, based on hierarchical TiO2 inverse opal photonic crystal structure with different Au NPs sizes have been designed to reveal the SPR effect and internal electron transfer of Au NPs in the presence of slow photon effect. It appears that the SPR effect and internal electron transfer ability of Au NPs, depending on their sizes, play a synergistic effect on the photocatalytic enhancement. The ternary TAC-10 photocatalyst with – 10 nm Au NPs demonstrates an unprecedented hydrogen evolution rate of 47.6 mmolh-1g 1 under visible-light, demonstrating- 48% enhancement comparing to the sample without slow photon effect. In particular, a 9.83% apparent quantum yield under 450 nm monochromatic light is achieved for TAC-10. A model is proposed and finite-difference time-domain (FDTD) simulations reveal the size influence of Au NPs in ternary TAC photocatalysts. This work suggests that the rational design of bifunctional Au NPs coupling with slow photon effect could largely promote hydrogen production from visible-light driven water splitting. (c) 2021 Elsevier Inc. 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 |
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Editor |
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Language |
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Wos |
000704428600004 |
Publication Date |
2021-07-01 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
|
|
ISSN |
0021-9797 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
Impact Factor |
4.233 |
Times cited |
|
Open Access |
Not_Open_Access |
|
Notes |
|
Approved |
Most recent IF: 4.233 |
|
Call Number |
UA @ admin @ c:irua:182531 |
Serial |
6886 |
Permanent link to this record |
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Author |
van de Vijver, F.L.; Verbueken, A.H.; Visser, W.J.; Van Grieken, R.E.; de Broe, M.E. |
|
Title |
Localisation of aluminium and iron by histochemical and laster microprobe mass analytical techniques in bone marrow cells of chronic hemodialysis patients |
Type |
L1 Letter to the editor |
|
Year |
1984 |
Publication |
Journal of clinical pathology |
Abbreviated Journal |
|
|
Volume |
37 |
Issue |
7 |
Pages |
837-838 |
|
Keywords |
L1 Letter to the editor; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Laboratory Experimental Medicine and Pediatrics (LEMP) |
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Abstract |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
A1984TA05200027 |
Publication Date |
2007-06-09 |
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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 |
|
|
ISSN |
0021-9746 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
|
Times cited |
|
Open Access |
|
|
Notes |
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Approved |
no |
|
Call Number |
UA @ admin @ c:irua:116710 |
Serial |
8178 |
Permanent link to this record |
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Author |
Mao, D.; Lookman, R.; van de Weghe, H.; Vanermen, G.; de Brucker, N.; Diels, L. |
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Title |
Aqueous solubility calculation for petroleum mixtures in soil using comprehensive two-dimensional gas chromatography analysis data |
Type |
A1 Journal article |
|
Year |
2009 |
Publication |
Journal of chromatography : A |
Abbreviated Journal |
|
|
Volume |
1216 |
Issue |
14 |
Pages |
2873-2880 |
|
Keywords |
A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL) |
|
Abstract |
An assessment of aqueous solubility (leaching potential) of soil contaminations with petroleum hydrocarbons (TPH) is important in the context of the evaluation of (migration) risks and soil/groundwater remediation. Field measurements using monitoring wells often overestimate real TPH concentrations in case of presence of pure oil in the screened interval of the well. This paper presents a method to calculate TPH equilibrium concentrations in groundwater using soil analysis by high-performance liquid chromatography followed by comprehensive two-dimensional gas chromatography (HPLCGCXGC). The oil in the soil sample is divided into 79 defined hydrocarbon fractions on two GCXGC color plots. To each of these fractions a representative water solubility is assigned. Overall equilibrium water solubility of the non-aqueous phase liquid (NAPL) present in the sample and the water phase's chemical composition (in terms of the 79 fractions defined) are then calculated using Raoult's law. The calculation method was validated using soil spiked with 13 different TPH mixtures and 1 field-contaminated soil. Measured water solubilities using a column recirculation equilibration experiment agreed well to calculated equilibrium concentrations and water phase TPH composition. |
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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 |
000264730900020 |
Publication Date |
2008-08-27 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
|
|
ISSN |
0021-9673 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
Impact Factor |
|
Times cited |
|
Open Access |
|
|
Notes |
|
Approved |
no |
|
Call Number |
UA @ admin @ c:irua:76414 |
Serial |
7492 |
Permanent link to this record |
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|
Author |
Mao, D.; Lookman, R.; van de Weghe, H.; Vanermen, G.; de Brucker, N.; Diels, L. |
|
Title |
Detailed analysis of petroleum hydrocarbon attenuation in biopiles by high-performance liquid chromatography followed by comprehensive two-dimensional gas chromatography |
Type |
A1 Journal article |
|
Year |
2009 |
Publication |
Journal of chromatography : A |
Abbreviated Journal |
|
|
Volume |
1216 |
Issue |
9 |
Pages |
1524-1527 |
|
Keywords |
A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL) |
|
Abstract |
Enhanced bioremediation of petroleum hydrocarbons in two biopiles was quantified by high-performance liquid chromatography (HPLC) followed by comprehensive two-dimensional gas chromatography (GCXGC). The attenuation of 34 defined hydrocarbon classes was calculated by HPLCGCXGC analysis of representative biopile samples at start-up and after 18 weeks of biopile operation. In general, a-cyclic alkanes were most efficiently removed from the biopiles, followed by monoaromatic hydrocarbons. Cycloalkanes and polycyclic aromatic hydrocarbons (PAHs) were more resistant to degradation. A-cyclic biomarkers farnesane, trimethyl-C13, norpristane, pristane and phytane dropped to only about 10% of their initial concentrations. On the other hand, C29C31 hopane concentrations remained almost unaltered after 18 weeks of biopile operation, confirming their resistance to biodegradation. They are thus reliable indicators to estimate attenuation potential of petroleum hydrocarbons in biopile processed soils. |
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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 |
000263610500035 |
Publication Date |
2009-01-07 |
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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 |
|
|
ISSN |
0021-9673 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
Impact Factor |
|
Times cited |
|
Open Access |
|
|
Notes |
|
Approved |
no |
|
Call Number |
UA @ admin @ c:irua:76320 |
Serial |
7769 |
Permanent link to this record |
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Author |
Dirtu, A.C.; Ravindra, K.; Roosens, L.; Van Grieken, R.; Neels, H.; Blust, R.; Covaci, A. |
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Title |
Fast analysis of decabrominated diphenyl ether using low-pressure gas chromatography.electron-capture negative ionization mass spectrometry |
Type |
A1 Journal article |
|
Year |
2008 |
Publication |
Journal of chromatography : A |
Abbreviated Journal |
|
|
Volume |
1186 |
Issue |
|
Pages |
295-301 |
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Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Toxicological Centre |
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Abstract |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000254884700024 |
Publication Date |
2007-07-23 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
|
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ISSN |
0021-9673 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
|
Impact Factor |
|
Times cited |
|
Open Access |
|
|
Notes |
|
Approved |
no |
|
Call Number |
UA @ admin @ c:irua:67546 |
Serial |
7957 |
Permanent link to this record |
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|
Author |
Singh, S.K.; Neek-Amal, M.; Peeters, F.M. |
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Title |
Electronic properties of graphene nano-flakes : energy gap, permanent dipole, termination effect, and Raman spectroscopy |
Type |
A1 Journal article |
|
Year |
2014 |
Publication |
The journal of chemical physics |
Abbreviated Journal |
J Chem Phys |
|
Volume |
140 |
Issue |
7 |
Pages |
074304-74309 |
|
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
Abstract |
The electronic properties of graphene nano-flakes (GNFs) with different edge passivation are investigated by using density functional theory. Passivation with F and H atoms is considered: C-Nc X-Nx (X = F or H). We studied GNFs with 10 < N-c < 56 and limit ourselves to the lowest energy configurations. We found that: (i) the energy difference Delta between the highest occupied molecular orbital and the lowest unoccupied molecular orbital decreases with N-c, (ii) topological defects (pentagon and heptagon) break the symmetry of the GNFs and enhance the electric polarization, (iii) the mutual interaction of bilayer GNFs can be understood by dipole-dipole interaction which were found sensitive to the relative orientation of the GNFs, (iv) the permanent dipoles depend on the edge terminated atom, while the energy gap is independent of it, and (v) the presence of heptagon and pentagon defects in the GNFs results in the largest difference between the energy of the spin-up and spin-down electrons which is larger for the H-passivated GNFs as compared to F-passivated GNFs. Our study shows clearly the effect of geometry, size, termination, and bilayer on the electronic properties of small GNFs. This study reveals important features of graphene nano-flakes which can be detected using Raman spectroscopy. (C) 2014 AIP Publishing LLC. |
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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 |
New York, N.Y. |
Editor |
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Language |
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Wos |
000332039900020 |
Publication Date |
2014-02-20 |
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Series Editor |
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Series Title |
|
Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
|
ISSN |
0021-9606;1089-7690; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
Impact Factor |
2.965 |
Times cited |
30 |
Open Access |
|
|
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 Foundation of the Flemish Government. ; |
Approved |
Most recent IF: 2.965; 2014 IF: 2.952 |
|
Call Number |
UA @ lucian @ c:irua:115857 |
Serial |
1002 |
Permanent link to this record |
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Author |
Bal, K.M.; Neyts, E.C. |
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Title |
On the time scale associated with Monte Carlo simulations |
Type |
A1 Journal article |
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Year |
2014 |
Publication |
The journal of chemical physics |
Abbreviated Journal |
J Chem Phys |
|
Volume |
141 |
Issue |
20 |
Pages |
204104 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
|
Abstract |
Uniform-acceptance force-bias Monte Carlo (fbMC) methods have been shown to be a powerful technique to access longer timescales in atomistic simulations allowing, for example, phase transitions and growth. Recently, a new fbMC method, the time-stamped force-bias Monte Carlo (tfMC) method, was derived with inclusion of an estimated effective timescale; this timescale, however, does not seem able to explain some of the successes the method. In this contribution, we therefore explicitly quantify the effective timescale tfMC is able to access for a variety of systems, namely a simple single-particle, one-dimensional model system, the Lennard-Jones liquid, an adatom on the Cu(100) surface, a silicon crystal with point defects and a highly defected graphene sheet, in order to gain new insights into the mechanisms by which tfMC operates. It is found that considerable boosts, up to three orders of magnitude compared to molecular dynamics, can be achieved for solid state systems by lowering of the apparent activation barrier of occurring processes, while not requiring any system-specific input or modifications of the method. We furthermore address the pitfalls of using the method as a replacement or complement of molecular dynamics simulations, its ability to explicitly describe correct dynamics and reaction mechanisms, and the association of timescales to MC simulations in general. |
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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 |
New York, N.Y. |
Editor |
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Language |
|
Wos |
000345641400005 |
Publication Date |
2014-11-26 |
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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 |
|
Series Issue |
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Edition |
|
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ISSN |
0021-9606;1089-7690; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
Impact Factor |
2.965 |
Times cited |
26 |
Open Access |
|
|
Notes |
|
Approved |
Most recent IF: 2.965; 2014 IF: 2.952 |
|
Call Number |
UA @ lucian @ c:irua:120667 |
Serial |
2459 |
Permanent link to this record |
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Author |
Euan-Diaz, E.; Herrera-Velarde, S.; Misko, V.R.; Peeters, F.M.; Castaneda-Priego, R. |
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Title |
Structural transitions and long-time self-diffusion of interacting colloids confined by a parabolic potential |
Type |
A1 Journal article |
|
Year |
2015 |
Publication |
The journal of chemical physics |
Abbreviated Journal |
J Chem Phys |
|
Volume |
142 |
Issue |
142 |
Pages |
024902 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
Abstract |
We report on the ordering and dynamics of interacting colloidal particles confined by a parabolic potential. By means of Brownian dynamics simulations, we find that by varying the magnitude of the trap stiffness, it is possible to control the dimension of the system and, thus, explore both the structural transitions and the long-time self-diffusion coefficient as a function of the degree of confinement. We particularly study the structural ordering in the directions perpendicular and parallel to the confinement. Further analysis of the local distribution of the first-neighbors layer allows us to identify the different structural phases induced by the parabolic potential. These results are summarized in a structural state diagram that describes the way in which the colloidal suspension undergoes a structural re-ordering while increasing the confinement. To fully understand the particle dynamics, we take into account hydrodynamic interactions between colloids; the parabolic potential constricts the available space for the colloids, but it does not act on the solvent. Our findings show a non-linear behavior of the long-time self-diffusion coefficient that is associated to the structural transitions induced by the external field. (C) 2015 AIP Publishing LLC. |
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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 |
New York, N.Y. |
Editor |
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Language |
|
Wos |
000348129700053 |
Publication Date |
2015-01-10 |
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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 |
|
Series Issue |
|
Edition |
|
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ISSN |
0021-9606;1089-7690; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
Impact Factor |
2.965 |
Times cited |
7 |
Open Access |
|
|
Notes |
; This work was partially supported by the “Odysseus” Program of the Flemish Government, the Flemish Science Foundation (FWO-Vl), PIFI 3.4 – PROMEP, and CONACyT (Grant Nos. 61418/2007, 102339/2008, Ph.D. scholarship 230171/2010). R.C.-P. also acknowledges financial support provided by the Marcos Moshinsky fellowship 2013-2014. The authors also thank to the General Coordination of Information and Communications Technologies (CGSTIC) at Cinvestav for providing HPC resources on the Hybrid Cluster Super-computer Xiuhcoatl, which have contributed partially to the research results reported in this paper. ; |
Approved |
Most recent IF: 2.965; 2015 IF: 2.952 |
|
Call Number |
c:irua:123832 |
Serial |
3267 |
Permanent link to this record |
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Author |
Lamoen, D.; Persson, B.N.J. |
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Title |
Adsorption of potassium and oxygen on graphite: a theoretical study |
Type |
A1 Journal article |
|
Year |
1998 |
Publication |
Journal Of Chemical Physics |
Abbreviated Journal |
J Chem Phys |
|
Volume |
108 |
Issue |
|
Pages |
3332-3341 |
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Keywords |
A1 Journal article; Electron Microscopy for Materials Science (EMAT); |
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Abstract |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
New York, N.Y. |
Editor |
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Language |
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Wos |
000074379600032 |
Publication Date |
2002-07-26 |
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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 |
0021-9606; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
Impact Factor |
2.965 |
Times cited |
91 |
Open Access |
|
|
Notes |
|
Approved |
Most recent IF: 2.965; 1998 IF: 3.147 |
|
Call Number |
UA @ lucian @ c:irua:19420 |
Serial |
64 |
Permanent link to this record |
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Author |
Nikolaev, A.V.; Prassides, K.; Michel, K.H. |
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Title |
Charge transfer and polymer phases in AC60 (A=K, Rb, Cs) fullerides |
Type |
A1 Journal article |
|
Year |
1998 |
Publication |
The journal of chemical physics |
Abbreviated Journal |
J Chem Phys |
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Volume |
108 |
Issue |
|
Pages |
4912-4923 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
New York, N.Y. |
Editor |
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Language |
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Wos |
000072588400025 |
Publication Date |
2002-07-26 |
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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 |
0021-9606; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
Impact Factor |
2.965 |
Times cited |
14 |
Open Access |
|
|
Notes |
|
Approved |
Most recent IF: 2.965; 1998 IF: 3.147 |
|
Call Number |
UA @ lucian @ c:irua:23985 |
Serial |
338 |
Permanent link to this record |
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Author |
Lamoen, D.; Michel, K.H. |
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Title |
Crystal field, orientational order, and lattice contraction in solid C60 |
Type |
A1 Journal article |
|
Year |
1994 |
Publication |
The journal of chemical physics |
Abbreviated Journal |
J Chem Phys |
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Volume |
101 |
Issue |
|
Pages |
1435-1443 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
Abstract |
A model of the intermolecular potential in solid C-60, which is based on Born-Mayer repulsions, van der Waals attractions, and electrostatic multipoles, is presented. The potential is expanded in terms of multipolar rotator functions. The orientation-orientation interaction and the crystal field are calculated. The orientational phase transition to the Pa3 phase is studied with the methods of statistical mechanics. The discontinuity of the order parameter at the transition and the temperature evolution of the order parameter are calculated. The lattice contraction at the phase transition is evaluated. The influence of the lattice contraction on the crystal field and on the orientational order is 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 |
New York, N.Y. |
Editor |
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Language |
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Wos |
A1994NW97900058 |
Publication Date |
2002-07-26 |
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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 |
|
Series Issue |
|
Edition |
|
|
ISSN |
0021-9606; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
Impact Factor |
2.952 |
Times cited |
39 |
Open Access |
|
|
Notes |
|
Approved |
CHEMISTRY, PHYSICAL 54/144 Q2 # PHYSICS, ATOMIC, MOLECULAR & CHEMICAL 9/35 Q2 # |
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Call Number |
UA @ lucian @ c:irua:9361 |
Serial |
554 |
Permanent link to this record |
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Author |
Verberck, B.; Michel, K.H.; Nikolaev, A.V. |
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Title |
Crystal structures of polymerized fullerides AC60, A=K, Rb, Cs, and alkali-mediated interactions |
Type |
A1 Journal article |
|
Year |
2002 |
Publication |
The journal of chemical physics |
Abbreviated Journal |
J Chem Phys |
|
Volume |
116 |
Issue |
23 |
Pages |
10462-10474 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
Abstract |
Starting from a model of rigid interacting C-60 polymer chains on an orthorhombic lattice, we study the mutual orientation of the chains and the stability of the crystalline structures Pmnn and I2/m. We take into account (i) van der Waals interactions and electric quadrupole interactions between C-60 monomers on different chains as well as (ii) interactions of the monomers with the surrounding alkali atoms. The direct interactions (i) always lead to an antiferrorotational structure Pmnn with alternate orientation of the C-60 chains in planes (001). The interactions (ii) with the alkalis consist of two parts: translation-rotation (TR) coupling where the orientations of the chains interact with displacements of the alkalis, and quadrupolar electronic polarizability (ep) coupling, where the electric quadrupoles on the C-60 monomers interact with induced quadrupoles due to excited electronic d-states of the alkalis. Both interactions (ii) lead to an effective orientation-orientation interaction between the C-60 chains and always favor the ferrorotational structure I2/m, where C-60 chains have a same orientation. The structures Pmnn for KC60 and I2/m for Rb- and CsC60 are the result of a competition between the direct interaction (i) and the alkali-mediated interactions (ii). In Rb- and CsC60 the latter are found to be dominant, the preponderant role being played by the quadrupolar electronic polarizability of the alkali ions. (C) 2002 American Institute of Physics. |
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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 |
New York, N.Y. |
Editor |
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Language |
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Wos |
000175905800044 |
Publication Date |
2002-07-26 |
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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 |
|
Series Issue |
|
Edition |
|
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ISSN |
0021-9606; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
Impact Factor |
2.965 |
Times cited |
12 |
Open Access |
|
|
Notes |
|
Approved |
Most recent IF: 2.965; 2002 IF: 2.998 |
|
Call Number |
UA @ lucian @ c:irua:103350 |
Serial |
578 |
Permanent link to this record |
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Author |
Michel, K.H. |
|
Title |
Molecular structure and orientational ordering in solid C60 |
Type |
A1 Journal article |
|
Year |
1992 |
Publication |
The journal of chemical physics |
Abbreviated Journal |
J Chem Phys |
|
Volume |
97 |
Issue |
7 |
Pages |
5155-5162 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
A microscopic theory, which describes the orientational dynamics of C60 molecules in the face-centered cubic phase of C60-fullerite, is formulated or the case of a complex molecular structure. Interaction centers which comprise atoms, double bonds, and single bonds as molecular constituents contribute to the intermolecular potential. Orientation dependent physical properties are described in terms of symmetry-adapted rotator functions. It is found that a same set of rotator functions is sufficient even in the case of a complex molecular structure. Phase transition temperatures are discussed for various models of molecular structure. |
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Place of Publication |
New York, N.Y. |
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Wos |
A1992JR33800062 |
Publication Date |
2002-07-26 |
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Series Issue |
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Edition |
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ISSN |
0021-9606; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.952 |
Times cited |
20 |
Open Access |
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Notes |
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Approved |
no |
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Call Number |
UA @ lucian @ c:irua:2973 |
Serial |
2185 |
Permanent link to this record |
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Author |
Verberck, B.; Vliegenthart, G.A.; Gompper, G. |
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Title |
Orientational ordering in solid C60 fullerene-cubane |
Type |
A1 Journal article |
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Year |
2009 |
Publication |
The journal of chemical physics |
Abbreviated Journal |
J Chem Phys |
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Volume |
130 |
Issue |
15 |
Pages |
154510,1-154510,14 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
We study the structure and phase behavior of fullerene-cubane C60·C8H8 by Monte Carlo simulation. Using a simple potential model capturing the icosahedral and cubic symmetries of its molecular constituents, we reproduce the experimentally observed phase transition from a cubic to an orthorhombic crystal lattice and the accompanying rotational freezing of the C60 molecules. We elaborate a scheme to identify the low-temperature orientations of individual molecules and to detect a pattern of orientational ordering similar to the arrangement of C60 molecules in solid C60. Our configuration of orientations supports a doubled periodicity along one of the crystal axes. |
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Place of Publication |
New York, N.Y. |
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Wos |
000265486300036 |
Publication Date |
2009-04-22 |
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Series Editor |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0021-9606; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.965 |
Times cited |
8 |
Open Access |
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Notes |
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Approved |
Most recent IF: 2.965; 2009 IF: 3.093 |
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Call Number |
UA @ lucian @ c:irua:77258 |
Serial |
2519 |
Permanent link to this record |
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Author |
Titantah, J.T.; Pierleoni, C.; Ryckaert, J.-P. |
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Title |
Single chain elasticity and thermoelasticity of polyethylene |
Type |
A1 Journal article |
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Year |
2002 |
Publication |
The journal of chemical physics |
Abbreviated Journal |
J Chem Phys |
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Volume |
117 |
Issue |
19 |
Pages |
9028-9036 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
Single-chain elasticity of polyethylene at theta point up to 90% of stretching with respect to its contour length is computed by Monte Carlo simulation of an atomistic model in continuous space. The elasticity law together with the free-energy and the internal energy variations with stretching are found to be very well represented by the wormlike chain model up to 65% of the chain elongation, provided the persistence length is treated as a temperature-dependent parameter. Beyond this value of elongation simple ideal chain models are not able to describe the Monte Carlo data in a thermodynamic consistent way. This study reinforces the use of the wormlike chain model to interpret experimental data on the elasticity of synthetic polymers in the finite extensibility regime, provided the chain is not yet in its fully stretched regime. Specific solvent effects on the elasticity law and the partition between energetic and entropic contributions to single chain elasticity are investigated. (C) 2002 American Institute of Physics. |
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Place of Publication |
New York, N.Y. |
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Wos |
000178934700046 |
Publication Date |
2002-10-31 |
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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 |
0021-9606; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.965 |
Times cited |
5 |
Open Access |
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Notes |
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Approved |
Most recent IF: 2.965; 2002 IF: 2.998 |
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Call Number |
UA @ lucian @ c:irua:103862 |
Serial |
3018 |
Permanent link to this record |
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Author |
Nikolaev, A.V.; Michel, K.H. |
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Title |
Superexchange and electron correlations in alkali fullerides AC60, A=K, Rb, Cs |
Type |
A1 Journal article |
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Year |
2005 |
Publication |
The journal of chemical physics |
Abbreviated Journal |
J Chem Phys |
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Volume |
122 |
Issue |
6 |
Pages |
064310-64314 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Superexchange interactions in alkali fullerides AC(60) are derived for C-60 molecular ions separated by interstitial alkali-metal ions. We use a multiconfiguration approach which comprises the lowest molecular orbital states of the C-60 molecule and the excited s and d states of the alkali-metal atom A. Interactions are described by the valence bond (Heitler-London) method for a complex (C-60 – A – C-60) – with two valence electrons. The electronic charge transfer between the alkali-metal atom and a neighboring C-60 molecule is not complete. The occupation probability of excited d and s states of the alkali atom is not negligible. In correspondence with the relative positions of the C-60 molecules and A atoms in the polymer crystal, we consider 180degrees and 90degrees (angle) superexchange pathways. For the former case the ground state is found to be a spin singlet separated from a triplet at similar to20 K. For T < 20 K there appear strong spin correlations for the 180degrees superexchange pathway. The results are related to spin lattice relaxation experiments on CsC60 in the polymerized and in the quenched cubic phase. (C) 2005 American Institute of Physics. |
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Place of Publication |
New York, N.Y. |
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Wos |
000226918100018 |
Publication Date |
2005-02-02 |
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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 |
0021-9606; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.965 |
Times cited |
11 |
Open Access |
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Notes |
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Approved |
Most recent IF: 2.965; 2005 IF: 3.138 |
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Call Number |
UA @ lucian @ c:irua:102740 |
Serial |
3377 |
Permanent link to this record |
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Author |
Michel, K.H.; Verberck, B.; Hulman, M.; Kuzmany, H.; Krause, M. |
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Title |
Superposition of quantum and classical rotational motions in Sc2C2@C84 fullerite |
Type |
A1 Journal article |
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Year |
2007 |
Publication |
The journal of chemical physics |
Abbreviated Journal |
J Chem Phys |
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Volume |
126 |
Issue |
6 |
Pages |
064304,1-15 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
New York, N.Y. |
Editor |
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Language |
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Wos |
000244250200008 |
Publication Date |
2007-02-09 |
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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 |
0021-9606; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.965 |
Times cited |
14 |
Open Access |
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Notes |
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Approved |
Most recent IF: 2.965; 2007 IF: 3.044 |
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Call Number |
UA @ lucian @ c:irua:63628 |
Serial |
3381 |
Permanent link to this record |