Records |
Author |
Apolinario, S.W.S.; Partoens, B.; Peeters, F.M. |
Title |
Structure and spectrum of anisotropically confined two-dimensional clusters with logarithmic interaction |
Type |
A1 Journal article |
Year |
2005 |
Publication |
Physical review : E : statistical physics, plasmas, fluids, and related interdisciplinary topics |
Abbreviated Journal |
Phys Rev E |
Volume |
72 |
Issue |
|
Pages |
046122,1-7 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
We studied the structural and spectral properties of a classical system consisting of a finite number of particles, moving in two dimensions, and interacting through a repulsive logarithmic potential and held together by an anisotropic harmonic potential. Increasing the anisotropy of the confinement potential can drive the system from a two-dimensional (2D) to a one-dimensional (1D) configuration. This change occurs through a sequence of structural transitions of first and second order which are reflected in the normal mode frequencies. Our results of the ground state configurations are compared with recent experiments and we obtained a satisfactory agreement. The transition from the 1D line structure to the 2D structure occurs through a zigzag transition which is of second order. We found analytical expressions for the eigenfrequencies before the zigzag transition, which allowed us to obtain an analytical expression for the anisotropy parameter at which the zigzag transition occurs as a function of the number of particles in the system. |
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 |
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Language |
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Wos |
000232931200034 |
Publication Date |
2005-10-18 |
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 |
1539-3755;1550-2376; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.366 |
Times cited |
22 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 2.366; 2005 IF: 2.418 |
Call Number |
UA @ lucian @ c:irua:62448 |
Serial |
3295 |
Permanent link to this record |
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Author |
de Araujo, J.L.B.; Munarin, F.F.; Farias, G.A.; Peeters, F.M.; Ferreira, W.P. |
Title |
Structure and reentrant percolation in an inverse patchy colloidal system |
Type |
A1 Journal article |
Year |
2017 |
Publication |
Physical Review E |
Abbreviated Journal |
|
Volume |
95 |
Issue |
6 |
Pages |
062606 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
Two-dimensional systems of inverse patchy colloids modeled as disks with a central charge and having their surface decorated with oppositely pointlike charged patches are investigated using molecular dynamics simulations. The self-assembly of the patchy colloids leads to diverse ground state configurations ranging from crystalline arrangements of monomers to linear clusters, ramified linear clusters and to percolated configurations. Two structural phase diagrams are constructed: (1) as a function of the net charge and area fraction, and (2) as a function of the net charge and the range of the pair interaction potential. An interesting reentrant percolation transition is obtained as a function of the net charge of the colloids. We identify distinct mechanisms that lead to the percolation transition. |
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 |
000404545700005 |
Publication Date |
2017-06-27 |
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 |
|
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
|
Times cited |
5 |
Open Access |
|
Notes |
|
Approved |
no |
Call Number |
UA @ admin @ c:irua:152628 |
Serial |
8587 |
Permanent link to this record |
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Author |
Lebedev, O.I.; Verbeeck, J.; Van Tendeloo, G.; Dubourdieu, C.; Rosina, M.; Chaudouët, P. |
Title |
Structure and properties of artificial [(La0.7Sr0.3MnO3)m(SrTiO3)n]15 superlattices on (001)SrTiO3 |
Type |
A1 Journal article |
Year |
2003 |
Publication |
Journal of applied physics |
Abbreviated Journal |
J Appl Phys |
Volume |
94 |
Issue |
12 |
Pages |
7646-7656 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
Complex [(La0.7Sr0.3MnO3)(m)(SrTiO3)(n)] [(LSMO)(m)/(STO)(8)](15) superlattices with different layer thicknesses (m=5, 8, 12, 16, 32) have been prepared using pulsed liquid injection metalorganic chemical vapor deposition. Transmission electron microscopy and electron diffraction reveal a very clear and well-separated layer sequence. The remarkable microstructure, as well as the ferromagnetic transition temperature, depends on the LSMO layer thickness. Apart from a very clear layer sequence, electron microscopy shows evidence of a self-assembled nanostructure formation: SrMnO3 nanoinclusions and associated SrTiO3-SrMnO3 thin walls. A formation model and growth mechanism for the self-assembled structure is proposed, based on high resolution and energy filtered elemental imaging. (C) 2003 American Institute of Physics. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
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Language |
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Wos |
000186969900042 |
Publication Date |
2003-12-04 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0021-8979; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.068 |
Times cited |
22 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 2.068; 2003 IF: 2.171 |
Call Number |
UA @ lucian @ c:irua:54822 |
Serial |
3292 |
Permanent link to this record |
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Author |
Lebedev, O.I.; Verbeeck, J.; Van Tendeloo, G.; Hayashi, N.; Terashima, T.; Takano, M. |
Title |
Structure and microstructure of epitaxial SrnFenO3n-1 films |
Type |
A1 Journal article |
Year |
2004 |
Publication |
Philosophical magazine |
Abbreviated Journal |
Philos Mag |
Volume |
84 |
Issue |
36 |
Pages |
3825-3841 |
Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
Abstract |
Thin films of SrFeO3-x (0 less than or equal to x less than or equal to 0.5) (SFO) grown on a (LaAlO3)(0.3) (SrAl0.5Ta0.5O3)(0.7) (LSAT) substrate by Pulsed laser deposition have been structurally investigated by electron diffraction and high resolution transmission electron microscopy for different post-deposition oxygen treatments. During the deposition and post-growth oxidation, the oxygen-reduced SFO films accept extra oxygen along the tetrahedral layers to minimize the elastic strain energy. The oxidation process stops at a concentration SFO2.875 and/or SFO2.75 because a zero misfit with the LSAT substrate is reached. A possible growth mechanism and phase transition mechanism are suggested. The non-oxidized films exhibit twin boundaries having a local perovskite-type structure with a nominal composition close to SFO3. |
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 |
000225854700001 |
Publication Date |
2005-01-28 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
|
Edition |
|
ISSN |
1478-6435;1478-6443; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
1.505 |
Times cited |
4 |
Open Access |
|
Notes |
reprint |
Approved |
Most recent IF: 1.505; 2004 IF: 1.167 |
Call Number |
UA @ lucian @ c:irua:54755 |
Serial |
3287 |
Permanent link to this record |
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Author |
Rossell, M.D.; Abakumov, A.M.; Van Tendeloo, G.; Pardo, J.A.; Santiso, J. |
Title |
Structure and microstructure of epitaxial Sr4Fe6O13-\delta films on SrTiO3 |
Type |
A1 Journal article |
Year |
2004 |
Publication |
Chemistry and materials |
Abbreviated Journal |
Chem Mater |
Volume |
16 |
Issue |
|
Pages |
2578-2584 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
The crystal structure and the microstructure of epitaxial Sr4Fe6O13+/-delta thin films grown on a single-crystal SrTiO3 substrate by PLD have been investigated. A combination of electron diffraction and high-resolution microscopy allows us to refine the structure and to identify an incommensurate modulation in the Sr4Fe6O13+/-delta films. The incommensurate structure (q = alphaa(m)* approximate to 0.39alpha(m)*, superspace group Xmmm(alpha00)0s0) can be interpreted as an oxygen-deficient modification in the Fe2O2.5 double layers. Moreover, it is shown that the experimentally determined a component of the modulation can be used consistently to estimate the local oxygen content in the Sr4Fe6O13+/-delta films. The compound composition can therefore be described as Sr4Fe6O12+2alpha and the value alpha = 0.39 corresponds to a Sr4Fe6O12.78 composition. The misfit stress along the Sr4Fe6O13+/-delta/SrTiO3 interface is accommodated via both elastic deformation and inelastic mechanisms (misfit dislocations and 90degrees rotation twins). The present results also suggest the existence of SrFeO3 perovskite in the Sr4Fe6O13+/-delta films. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Washington, D.C. |
Editor |
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Language |
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Wos |
000222252300011 |
Publication Date |
2004-06-22 |
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 |
0897-4756;1520-5002; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
9.466 |
Times cited |
26 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 9.466; 2004 IF: 4.103 |
Call Number |
UA @ lucian @ c:irua:54770 |
Serial |
3286 |
Permanent link to this record |
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Author |
Van Tendeloo, G.; Lebedev, O.I.; Hervieu, M.; Raveau, B. |
Title |
Structure and microstructure of colossal magnetoresistant materials |
Type |
A1 Journal article |
Year |
2004 |
Publication |
Reports on progress in physics |
Abbreviated Journal |
Rep Prog Phys |
Volume |
67 |
Issue |
|
Pages |
1315-1365 |
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 |
London |
Editor |
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Language |
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Wos |
000223732200001 |
Publication Date |
2004-07-06 |
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 |
|
ISSN |
0034-4885;1361-6633; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
14.311 |
Times cited |
79 |
Open Access |
|
Notes |
Iuap P5/01 |
Approved |
Most recent IF: 14.311; 2004 IF: 7.842 |
Call Number |
UA @ lucian @ c:irua:54867 |
Serial |
3285 |
Permanent link to this record |
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Author |
Bez, R.; Zehani, K.; Batuk, M.; Van Tendeloo, G.; Mliki, N.; Bessais, L. |
Title |
Structure and magnetic properties of Sm(Fe,Si)(9)C/alpha-Fe nanocomposite magnets |
Type |
A1 Journal article |
Year |
2017 |
Publication |
Journal of alloys and compounds |
Abbreviated Journal |
J Alloy Compd |
Volume |
695 |
Issue |
695 |
Pages |
810-817 |
Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
Abstract |
SmFe8.75 Si-0.25 C/alpha-Fe nanocomposites have been successfully synthesized using high energy milling, followed by annealing at 750 degrees C. The crystal structure of these compounds was characterized by the Rietveld method using powder X-ray diffraction data. By increasing the concentration of Sm, we observed a decrease in the amount of alpha-Fe phase. The morphology of the samples was determined by scanning and transmission electron microscopy. The average grain size is about 20 nm. The magnetic properties were investigated at room temperature and at 10 K. A ferromagnetic behavior was observed in all samples at both temperatures. An increase of the soft magnetic phase alpha-Fe induced an increase in the magnetization and a decrease in coercivity. (C) 2016 Elsevier B.V. All rights reserved. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Amsterdam |
Editor |
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Language |
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Wos |
000391817600098 |
Publication Date |
2016-10-19 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
|
Edition |
|
ISSN |
0925-8388 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.133 |
Times cited |
1 |
Open Access |
Not_Open_Access |
Notes |
; This work is main supported by the CNRS and the “Ministere de l'Enseignement Superieur, de la Recherche Scientifique” (LR99ES17) (Tunisia), PHC-Utique (Project 11/G 1301) and PHC-Maghreb (Project 15MAG07). The authors acknowledge the French SIE doctoral school of the University Paris Est for its support. ; |
Approved |
Most recent IF: 3.133 |
Call Number |
UA @ lucian @ c:irua:140380 |
Serial |
4448 |
Permanent link to this record |
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Author |
Batuk, M.; Tyablikov, O.A.; Tsirlin, A.A.; Kazakov, S.M.; Rozova, M.G.; Pokholok, K.V.; Filimonov, D.S.; Antipov, E.V.; Abakumov, A.M.; Hadermann, J. |
Title |
Structure and magnetic properties of a new anion-deficient perovskite Pb2Ba2BiFe4ScO13 with crystallographic shear structure |
Type |
A1 Journal article |
Year |
2013 |
Publication |
Materials research bulletin |
Abbreviated Journal |
Mater Res Bull |
Volume |
48 |
Issue |
9 |
Pages |
3459-3465 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
Pb2Ba2BiFe4ScO13, a new n = 5 member of the oxygen-deficient perovskite-based A(n)B(n)O(3n-2) homologous series, was synthesized using a solid-state method. The crystal structure of Pb2Ba2BiFe4ScO13 was investigated by a combination of synchrotron X-ray powder diffraction, electron diffraction, high-angle annular dark-field scanning transmission electron microscopy and Mossbauer spectroscopy. At 900 K, it crystallizes in the Ammm space group with the unit cell parameters a = 5.8459(1) angstrom, b = 4.0426(1) angstrom, and c=27.3435(1) angstrom. In the Pb2Ba2BiFe4ScO13 structure, quasi-two-dimensional perovskite blocks are periodically interleaved with 1/2[1 1 0] ((1) over bar 0 1)(p) crystallographic shear (CS) planes. At the CS planes, the corner-sharing FeO6 octahedra are transformed into chains of edge-sharing FeO5 distorted tetragonal pyramids. B-positions of the perovskite blocks between the CS planes are jointly occupied by Fe3+ and Sc3+. The chains of the FeO5 pyramids and (Fe,Sc)O-6 octahedra delimit six-sided tunnels that are occupied by double columns of cations with a lone electron pair (Pb2+). The remaining A-cations (Bi3+, Ba2+) occupy positions in the perovskite block. According to the magnetic susceptibility measurements, Pb2Ba2BiFe4ScO13 is antiferromagnetically ordered below T-N approximate to 350 K. (C) 2013 Elsevier Ltd. All rights reserved. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
New York, N.Y. |
Editor |
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Language |
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Wos |
000322354000076 |
Publication Date |
2013-05-17 |
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 |
0025-5408; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.446 |
Times cited |
2 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 2.446; 2013 IF: 1.968 |
Call Number |
UA @ lucian @ c:irua:109756 |
Serial |
3282 |
Permanent link to this record |
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Author |
Martin, J.M.L.; François, J.P.; Gijbels, R.; Almlöf, J. |
Title |
Structure and infrared spectroscopy of the C11 molecule |
Type |
MA3 Book as author |
Year |
1991 |
Publication |
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Abbreviated Journal |
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Volume |
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Issue |
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Pages |
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Keywords |
MA3 Book as author; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
University of Minnesota |
Place of Publication |
Minneapolis, Minn. |
Editor |
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Language |
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Wos |
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Publication Date |
0000-00-00 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
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ISBN |
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Additional Links |
UA library record |
Impact Factor |
|
Times cited |
|
Open Access |
|
Notes |
|
Approved |
|
Call Number |
UA @ lucian @ c:irua:717 |
Serial |
3280 |
Permanent link to this record |
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Author |
Martin, J.M.L.; François, J.P.; Gijbels, R.; Almlöf, J. |
Title |
Structure and infrared spectroscopy of the C11 molecule |
Type |
A1 Journal article |
Year |
1991 |
Publication |
Chemical physics letters |
Abbreviated Journal |
Chem Phys Lett |
Volume |
187 |
Issue |
|
Pages |
367-386 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Amsterdam |
Editor |
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Language |
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Wos |
A1991GX46000005 |
Publication Date |
2002-07-25 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
|
Edition |
|
ISSN |
0009-2614; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
1.897 |
Times cited |
42 |
Open Access |
|
Notes |
|
Approved |
|
Call Number |
UA @ lucian @ c:irua:718 |
Serial |
3281 |
Permanent link to this record |
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Author |
Napolsky, P.S.; Drozhzhin, O.A.; Istomin, S.Y.; Kazakov, S.M.; Antipov, E.V.; Galeeva, A.V.; Gippius, A.A.; Svensson, G.; Abakumov, A.M.; Van Tendeloo, G. |
Title |
Structure and high-temperature properties of the (Sr,Ca,Y)(Co,Mn)O3-y perovskites – perspective cathode materials for IT-SOFC |
Type |
A1 Journal article |
Year |
2012 |
Publication |
Journal of solid state chemistry |
Abbreviated Journal |
J Solid State Chem |
Volume |
192 |
Issue |
|
Pages |
186-194 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
Oxygen deficient perovskites Sr0.75Y0.25Co1-xMnxO3-y, x=0.5 and 0.75, were prepared by using the citrate route at 1373-1573 K for 48 h. The cubic Pm-3m perovskite structure for x=0.5 was confirmed by electron diffraction study and refined using neutron powder diffraction (NPD) data. For x=0.75, the superstructure corresponding to a=root 2 x a(per), b=2 x a(per), c=root 2 x a(per) (a(0)b(-)b(-) tilt system, space group Imma) was revealed by electron diffraction. The solid solution Sr0.75-xCaxY0.25Co0.25Mn0.75O3-y, 0.1 <= x <= 0.6 and compound Ca0.75Y0.25Mn0.85Co0.15O2.92 were prepared in air at 1573 K for 48 h. The crystal structure of Ca0.75Y0.25Mn0.85Co0.15O2.92 was refined using NPD data (S.G. Pnma, a=5.36595(4), b=7.5091(6), c=5.2992(4) angstrom, R-p=0.057, R-wp=0.056, chi(2)=4.26). High-temperature thermal expansion properties of the prepared compounds were studied in air using both dilatometry and high-temperature X-ray powder diffraction data (HTXRPD). They expanding non-linearly at 298-1073 K due to the loss of oxygen at high temperatures. Calculated average thermal expansion coefficients (TECs) for Sr0.75Y0.25Co1-xMnxO3-y, x=0.5, 0.75 and Ca0.75Y0.25Mn0.85Co0.15O2.92(1) are 15.5, 15.1, and 13.8 ppm K-1, respectively. Anisotropy of the thermal expansion along different unit cell axes was observed for Sr0.15Ca0.6Y0.25Co0.25Mn0.75O3-y, and Ca0.75Y0.25Mn0.85Co0.15O2.92. Conductivity of Sr0.75Y0.25Co1-xMnxO3-y, x=0.5 and 0.75 increases with the temperature reaching 110 S/cm for x=0.5 and 44 S/cm for x=0.75 at 1173 K. Samples of Sr0.75-xCaxY0.25Co0.25Mn0.75O3-y, 0.1 <= y <= 0.6 were found to be n-type conductors at room temperature with the similar temperature dependence of the conductivity and demonstrated the increase of the sigma value from similar to 1 to similar to 50 S/cm as the temperature increases from 300 to 1173 K. Their conductivity is described in terms of the small polaron charge transport with the activation energy (E-p) increasing from 340 to 430 meV with an increase of the calcium content from x=0 to x=0.6. (C) 2012 Elsevier Inc. All rights reserved. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
London |
Editor |
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Language |
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Wos |
000307028300030 |
Publication Date |
2012-03-31 |
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 |
0022-4596; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.299 |
Times cited |
5 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 2.299; 2012 IF: 2.040 |
Call Number |
UA @ lucian @ c:irua:101119 |
Serial |
3279 |
Permanent link to this record |
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Author |
Tzedaki, G.; M.; Turner, S.; Godet, S.; De Graeve, I.; Kernig, B.; Hasenclever, J.; Terryn, H. |
Title |
Structure and formation mechanism of rolled-in oxide areas on aluminum lithographic printing sheets |
Type |
A1 Journal article |
Year |
2013 |
Publication |
Scripta materialia |
Abbreviated Journal |
Scripta Mater |
Volume |
68 |
Issue |
5 |
Pages |
233-236 |
Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
Abstract |
The subsurface area introduced during rolling on the 1100 aluminum alloy series alters its surface properties, which makes it more susceptible to corrosion. A combination of different transmission electron microscopy techniques is employed to observe the orientation of small grain structures and the distribution elements in the subsurface layer. This approach provided valuable insight into the formation mechanism of the layer and the phenomena taking place during rolling. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Oxford |
Editor |
|
Language |
|
Wos |
000314012000003 |
Publication Date |
2012-10-23 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1359-6462; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.747 |
Times cited |
6 |
Open Access |
|
Notes |
Fwo |
Approved |
Most recent IF: 3.747; 2013 IF: 2.968 |
Call Number |
UA @ lucian @ c:irua:105288 |
Serial |
3277 |
Permanent link to this record |
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|
Author |
Dzhurakhalov, A.A.; Peeters, F.M. |
Title |
Structure and energetics of hydrogen chemisorbed on a single graphene layer to produce graphane |
Type |
A1 Journal article |
Year |
2011 |
Publication |
Carbon |
Abbreviated Journal |
Carbon |
Volume |
49 |
Issue |
10 |
Pages |
3258-3266 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT); Integrated Molecular Plant Physiology Research (IMPRES) |
Abstract |
Chemisorption of hydrogen on graphene is studied using atomistic simulations with the second generation of reactive empirical bond order Brenner inter-atomic potential. The lowest energy adsorption sites and the most important metastable sites are determined. The H concentration is varied from a single H atom, to clusters of H atoms up to full coverage. We found that when two or more H atoms are present, the most stable configurations of H chemisorption on a single graphene layer are ortho hydrogen pairs adsorbed on one side or on both sides of the graphene sheet. The latter has the highest hydrogen binding energy. The next stable configuration is the orthopara pair combination, and then para hydrogen pairs. The structural changes of graphene caused by chemisorbed hydrogen are discussed and are compared with existing experimental data and other theoretical calculations. The obtained results will be useful for nanoengineering of graphene by hydrogenation and for hydrogen storage. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
|
Place of Publication |
Oxford |
Editor |
|
Language |
|
Wos |
000291959300014 |
Publication Date |
2011-04-15 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0008-6223; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
6.337 |
Times cited |
46 |
Open Access |
|
Notes |
; A.D. thanks M.W. Zhao for a useful correspondence. This work was supported by the Belgian Science Policy (IAP) and the Flemish Science Foundation (FWO-VI). ; |
Approved |
Most recent IF: 6.337; 2011 IF: 5.378 |
Call Number |
UA @ lucian @ c:irua:90877 |
Serial |
3275 |
Permanent link to this record |
|
|
|
Author |
Ferreira, W.P.; Matulis, A.; Farias, G.A.; Peeters, F.M. |
Title |
Structure and correlations in two-dimensional classical artificial atoms confined by a Coulomb potential |
Type |
A1 Journal article |
Year |
2003 |
Publication |
Physical review : E : statistical, nonlinear, and soft matter physics |
Abbreviated Journal |
Phys Rev E |
Volume |
67 |
Issue |
4Part 2 |
Pages |
046601-46608 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
The ordering of N equally charged particles (-e) moving in two dimensions and confined by a Coulomb potential, resulting from a displaced positive charge Ze is discussed. This is a classical model system for atoms. We obtain the configurations of charged particles which, depending on the value of N and Z, may result in ring structures, hexagonal-type configurations, and for N/Z approximate to 1 in an inner structure of particles which is separated by an outer ring of particles. For N/Z << 1, the Hamiltonian of the parabolic confinement case is recovered. For N/Z approximate to 1, the configurations are very different from those found in the case of a parabolic confinement potential. A hydrodynamic analysis is presented in order to highlight the correlations effects. |
Address |
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Corporate Author |
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Thesis |
|
Publisher |
American Institute of Physics |
Place of Publication |
Woodbury (NY) |
Editor |
|
Language |
|
Wos |
000182825400087 |
Publication Date |
2003-04-03 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1063-651X;1095-3787; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.366 |
Times cited |
14 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 2.366; 2003 IF: 2.202 |
Call Number |
UA @ lucian @ c:irua:104123 |
Serial |
3273 |
Permanent link to this record |
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|
|
Author |
Kolen'ko, Y.V.; Kovnir, K.A.; Gavrilov, A.I.; Garshev, A.V.; Meskin, P.E.; Churagulov, B.R.; Bouchard, M.; Colbeau-Justin, C.; Lebedev, O.I.; Van Tendeloo, G.; Yoshimura, M. |
Title |
Structural, textural, and electronic properties of a nanosized mesoporous ZnxTi1-xO2-x solid solution prepared by a supercritical drying route |
Type |
A1 Journal article |
Year |
2005 |
Publication |
Journal of physical chemistry B |
Abbreviated Journal |
J Phys Chem B |
Volume |
109 |
Issue |
43 |
Pages |
20303-20309 |
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 |
|
Editor |
|
Language |
|
Wos |
000232959800037 |
Publication Date |
2005-10-27 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1520-6106;1520-5207; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.177 |
Times cited |
34 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 3.177; 2005 IF: 4.033 |
Call Number |
UA @ lucian @ c:irua:54886 |
Serial |
3264 |
Permanent link to this record |
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|
|
Author |
Gonzalez-Garcia, A.; Lopez-Perez, W.; Rivera-Julio, J.; Peeters, F.M.; Mendoza-Estrada, V.; Gonzalez-Hernandez, R. |
Title |
Structural, mechanical and electronic properties of two-dimensional structure of III-arsenide (111) binary compounds: An ab-initio study |
Type |
A1 Journal article |
Year |
2018 |
Publication |
Computational materials science |
Abbreviated Journal |
Comp Mater Sci |
Volume |
144 |
Issue |
144 |
Pages |
285-293 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
Structural, mechanical and electronic properties of two-dimensional single-layer hexagonal structures in the (111) crystal plane of IIIAs-ZnS systems (III = B, Ga and In) are studied by first-principles calculations based on density functional theory (DFT). Elastic and phonon dispersion relation display that 2D h-IIIAs systems (III = B, Ga and In) are both mechanical and dynamically stable. Electronic structures analysis show that the semiconducting nature of the 3D-IIIAs compounds is retained by their 2D single layer counterpart. Furthermore, density of states reveals the influence of sigma and pi bonding in the most stable geometry (planar or buckled) for 2D h-IIIAs systems. Calculations of elastic constants show that the Young's modulus, bulk modulus and shear modulus decrease for 2D h-IIIAs binary compounds as we move down on the group of elements of the periodic table. In addition, as the bond length between the neighboring cation-anion atoms increases, the 2D h-IIIAs binary compounds display less stiffness and more plasticity. Our findings can be used to understand the contribution of the r and p bonding in the most stable geometry (planar or buckled) for 2D h-IIIAs systems. Structural and electronic properties of h-IIIAs systems as a function of the number of layers have been also studied. It is shown that h-BAs keeps its planar geometry while both h-GAs and h-InAs retained their buckled ones obtained by their single layers. Bilayer h-IIIAs present the same bandgap nature of their counterpart in 3D. As the number of layers increase from 2 to 4, the bandgap width for layered h-IIIAs decreases until they become semimetal or metal. Interestingly, these results are different to those found for layered h-GaN. The results presented in this study for single and few-layer h-IIIAs structures could give some physical insights for further theoretical and experimental studies of 2D h-IIIV-like systems. (C) 2017 Elsevier B.V. All rights reserved. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
|
Wos |
000424902300036 |
Publication Date |
2017-12-29 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0927-0256 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.292 |
Times cited |
3 |
Open Access |
|
Notes |
; This work has been carried out by the financial support of Universidad del Norte and Colciencias (Administrative Department of Science, Technology and Research of Colombia) under Convocatoria 712 – Convocatoria para proyectos de investigacion en Ciencias Basicas, ano 2015, Cod: 121571250192, Contrato 110-216. ; |
Approved |
Most recent IF: 2.292 |
Call Number |
UA @ lucian @ c:irua:149897UA @ admin @ c:irua:149897 |
Serial |
4949 |
Permanent link to this record |
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|
|
Author |
Ozcan, M.; Ozen, S.; Yagmurcukardes, M.; Sahin, H. |
Title |
Structural, electronic and vibrational properties of ultra-thin octahedrally coordinated structure of EuO2 |
Type |
A1 Journal article |
Year |
2020 |
Publication |
Journal Of Magnetism And Magnetic Materials |
Abbreviated Journal |
J Magn Magn Mater |
Volume |
493 |
Issue |
493 |
Pages |
165668 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
Novel stable ultra-thin phases of europium oxide are investigated by means of state-of-the-art first principles calculations. Total energy calculations show that single layers of EuO2 and Eu(OH)(2) can be stabilized in an octahedrally coordinated (1T) atomic structure. However, phonon calculations reveal that although both structures are energetically feasible, only the 1T-EuO2 phase has dynamical stability. The phonon spectrum of 1T-EuO2 displays three Raman active modes; a non-degenerate out-of-plane A(1g) mode at 353.5 cm(-1) and two doubly-degenerate in-plane E-g modes at 304.3 cm(-1). Furthermore, magnetic ground state and electronic band dispersion calculations show that the single layer EuO2 is a metal with net magnetic moment of 5(mu B) per unitcell resulting in a half-metallic ferrimagnetic behavior. Moreover, robustness of the half-metallic ferrimagnetic characteristics of EuO2 is confirmed by the application of electric field and charging. Single layer 1T-EuO2, with its stable ultra-thin structure and half-metallic ferrimagnetic feature, is a promising novel material for nanoscale electronic and spintronic applications. |
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 |
000486397800003 |
Publication Date |
2019-08-03 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0304-8853 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.7 |
Times cited |
1 |
Open Access |
|
Notes |
; Computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure). HS acknowledges financial support from the TUBITAK under the project number 117F095. MY is supported by the Flemish Science Foundation (FWO-Vl) by a postdoctoral fellowship. ; |
Approved |
Most recent IF: 2.7; 2020 IF: 2.63 |
Call Number |
UA @ admin @ c:irua:162755 |
Serial |
6323 |
Permanent link to this record |
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|
|
Author |
Horzum, S.; Torun, E.; Serin, T.; Peeters, F.M. |
Title |
Structural, electronic and optical properties of Cu-doped ZnO : experimental and theoretical investigation |
Type |
A1 Journal article |
Year |
2016 |
Publication |
Philosophical magazine |
Abbreviated Journal |
Philos Mag |
Volume |
96 |
Issue |
96 |
Pages |
1743-1756 |
Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
Abstract |
Experiments are supplemented with ab initio density functional theory (DFT) calculations in order to investigate how the structural, electronic and optical properties of zinc oxide (ZnO) thin films are modified upon Cu doping. Changes in characteristic properties of doped thin films, that are deposited on a glass substrate by sol-gel dip coating technique, are monitored using X-ray diffraction (XRD) and UV measurements. Our ab initio calculations show that the electronic structure of ZnO can be well described by DFT+U/G(0)W(0) method and we find that Cu atom substitutional doping in ZnO is the most favourable case. Our XRD measurements reveal that the crystallite size of the films decrease with increasing Cu doping. Moreover, we determine the optical constants such as refractive index, extinction coefficient, optical dielectric function and optical energy band gap values of the films by means of UV-Vis transmittance spectra. The optical band gap of ZnO the thin film linearly decreases from 3.25 to 3.20 eV at 5% doping. In addition, our calculations reveal that the electronic defect states that stem from Cu atoms are not optically active and the optical band gap is determined by the ZnO band edges. Experimentally observed structural and optical results are in good agreement with our theoretical results. |
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 |
|
Language |
|
Wos |
000376076500002 |
Publication Date |
2016-05-07 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1478-6435 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
1.505 |
Times cited |
29 |
Open Access |
|
Notes |
; Theoretical part of this work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem foundation of the Flemish government. Computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure), and HPC infrastructure of the University of Antwerp (CalcUA) a division of the Flemish Supercomputer Center (VSC), which is funded by the Hercules foundation. Experimental part of this work was supported by Ankara University BAP under Project Number [14B0443001]. ; |
Approved |
Most recent IF: 1.505 |
Call Number |
UA @ lucian @ c:irua:134161 |
Serial |
4254 |
Permanent link to this record |
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|
Author |
Lander, L.; Rousse, G.; Abakumov, A.M.; Sougrati, M.; Van Tendeloo, G.; Tarascon, J.-M. |
Title |
Structural, electrochemical and magnetic properties of a novel KFeSO4F polymorph |
Type |
A1 Journal article |
Year |
2015 |
Publication |
Journal of materials chemistry A : materials for energy and sustainability |
Abbreviated Journal |
J Mater Chem A |
Volume |
3 |
Issue |
3 |
Pages |
19754-19764 |
Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
Abstract |
In the quest for sustainable and low-cost positive electrode materials for Li-ion batteries, we discovered, as reported herein, a new low temperature polymorph of KFeSO4F. Contrary to the high temperature phase crystallizing in a KTiOPO4-like structure, this new phase adopts a complex layer-like structure built on FeO4F2 octahedra and SO4 tetrahedra, with potassium cations located in between the layers, as solved using neutron and synchrotron diffraction experiments coupled with electron diffraction. The detailed analysis of the structure reveals an alternation of edge-and corner-shared FeO4F2 octahedra leading to a large monoclinic cell of 1771.774(7) angstrom(3). The potassium atoms are mobile within the structure as deduced by ionic conductivity measurements and confirmed by the bond valence energy landscape approach thus enabling a partial electrochemical removal of K+ and uptake of Li+ at an average potential of 3.7 V vs. Li+/Li-0. Finally, neutron diffraction experiments coupled with SQUID measurements reveal a long range antiferromagnetic ordering of the Fe2+ magnetic moments below 22 K with a possible magnetoelectric behavior. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
|
Place of Publication |
Cambridge |
Editor |
|
Language |
|
Wos |
000362041300018 |
Publication Date |
2015-08-17 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
2050-7488; 2050-7496 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
8.867 |
Times cited |
11 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 8.867; 2015 IF: 7.443 |
Call Number |
UA @ lucian @ c:irua:132566 |
Serial |
4253 |
Permanent link to this record |
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|
Author |
Kong, M.; Partoens, B.; Peeters, F.M. |
Title |
Structural, dynamical and melting properties of two-dimensional clusters of complex plasmas |
Type |
A1 Journal article |
Year |
2003 |
Publication |
New journal of physics |
Abbreviated Journal |
New J Phys |
Volume |
5 |
Issue |
|
Pages |
23,1-17 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
|
Address |
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Corporate Author |
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Thesis |
|
Publisher |
|
Place of Publication |
Bristol |
Editor |
|
Language |
|
Wos |
000181548000008 |
Publication Date |
2003-03-15 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1367-2630; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.786 |
Times cited |
67 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 3.786; 2003 IF: 2.480 |
Call Number |
UA @ lucian @ c:irua:62452 |
Serial |
3232 |
Permanent link to this record |
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|
|
Author |
Galván Moya, J.E.; Nelissen, K.; Peeters, F.M. |
Title |
Structural transitions in vertically and horizontally coupled parabolic channels of Wigner crystals |
Type |
A1 Journal article |
Year |
2012 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
86 |
Issue |
18 |
Pages |
184102-184109 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
Structural phase transitions in two vertically or horizontally coupled channels of strongly interacting particles are investigated. The particles are free to move in the x direction but are confined by a parabolic potential in the y direction. They interact with each other through a screened power-law potential (r(-n)e(-r/lambda)). In vertically coupled systems, the channels are stacked above each other in the direction perpendicular to the (x, y) plane, while in horizontally coupled systems both channels are aligned in the confinement direction. Using Monte Carlo (MC) simulations we obtain the ground-state configurations and the structural transitions as a function of the linear particle density and the separation between the channels. At zero temperature, the vertically coupled system exhibits a rich phase diagram with continuous and discontinuous transitions. On the other hand, the horizontally coupled system exhibits only a very limited number of phase transitions due to its symmetry. Further, we calculated the normal modes for the Wigner crystals in both cases. From MC simulations, we found that in the case of vertically coupled systems, the zigzag transition is only possible for low densities. A Ginzburg-Landau theory for the zigzag transition is presented, which predicts correctly the behavior of this transition from which we interpret the structural phase transition of the Wigner crystal through the reduction of the Brillouin zone. |
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 |
000310683600002 |
Publication Date |
2012-11-05 |
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 |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.836 |
Times cited |
6 |
Open Access |
|
Notes |
; This work was supported by the Flemish Science Foundation (FWO-Vl). ; |
Approved |
Most recent IF: 3.836; 2012 IF: 3.767 |
Call Number |
UA @ lucian @ c:irua:105150 |
Serial |
3271 |
Permanent link to this record |
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Author |
Esfahani; Leenaerts, O.; Sahin, H.; Partoens, B.; Peeters, F.M. |
Title |
Structural transitions in monolayer MOS2 by lithium adsorption |
Type |
A1 Journal article |
Year |
2015 |
Publication |
The journal of physical chemistry: C : nanomaterials and interfaces |
Abbreviated Journal |
J Phys Chem C |
Volume |
119 |
Issue |
119 |
Pages |
10602-10609 |
Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
Abstract |
Based on first-principles calculations, we study the structural stability of the H and T phases of monolayer MoS2 upon Li doping. Our calculations demonstrate that it is possible to stabilize a distorted T phase of MoS2 over the H phase through adsorption of Li atoms on the MoS2 surface. Through molecular dynamics and phonon calculations, we show that the T phase of MoS2 is dynamically unstable and undergoes considerable distortions. The type of distortion depends on the concentration of adsorbed Li atoms and changes from zigzag-like to diamond-like when increasing the Li doping. There exists a substantial energy barrier to transform the stable H phase to the distorted T phases, which is considerably reduced by increasing the concentration of Li atoms. We show that it is necessary that the Li atoms adsorb on both sides of the MoS2 monolayer to reduce the barrier sufficiently. Two processes are examined that allow for such two-sided adsorption, namely, penetration through the MoS2 layer and diffusion over the MoS2 surface. We show that while there is only a small barrier of 0.24 eV for surface diffusion, the amount of energy needed to pass through a pure MoS2 layer is of the order of similar or equal to 2 eV. However, when the MoS2 layer is covered with Li atoms the amount of energy that Li atoms should gain to penetrate the layer is drastically reduced and penetration becomes feasible. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
|
Place of Publication |
Washington, D.C. |
Editor |
|
Language |
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Wos |
000354912200051 |
Publication Date |
2015-04-07 |
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 |
1932-7447;1932-7455; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
4.536 |
Times cited |
96 |
Open Access |
|
Notes |
; This work was supported by the Fonds Wetenschappelijk Onderzoek (FWO-Vl) and the Methusalem program of the Flemish government. H. S is supported by an FWO Pegasus-Long Marie Curie fellowship. The computational resources and services used in this work were provided by the VSC (Flemish Supercomputer Center), funded by the Hercules Foundation and the Flemish Government department EWI. ; |
Approved |
Most recent IF: 4.536; 2015 IF: 4.772 |
Call Number |
c:irua:126409 |
Serial |
3270 |
Permanent link to this record |
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|
|
Author |
Farias, G.A.; Peeters, F.M. |
Title |
Structural transitions in a finite classical two-dimensional system |
Type |
A1 Journal article |
Year |
1996 |
Publication |
Solid state communications |
Abbreviated Journal |
Solid State Commun |
Volume |
100 |
Issue |
|
Pages |
711-715 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
|
Address |
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Corporate Author |
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Thesis |
|
Publisher |
|
Place of Publication |
New York, N.Y. |
Editor |
|
Language |
|
Wos |
A1996VU47000008 |
Publication Date |
2002-07-26 |
Series Editor |
|
Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0038-1098; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
1.897 |
Times cited |
25 |
Open Access |
|
Notes |
|
Approved |
|
Call Number |
UA @ lucian @ c:irua:15788 |
Serial |
3269 |
Permanent link to this record |
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|
|
Author |
Ferreira, W.P.; Farias, G.A.; Carmona, H.A.; Peeters, F.M. |
Title |
Structural transitions in a classical two-dimensional molecule system |
Type |
A1 Journal article |
Year |
2002 |
Publication |
Solid state communications |
Abbreviated Journal |
Solid State Commun |
Volume |
122 |
Issue |
12 |
Pages |
665-669 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
The ground state of a classical two-dimensional (2D) system with a finite number of charge particles, trapped by two positive impurity charges localized at a distance (z(0)) from the. 2D plane and separated from each other by a distance chi(p) are obtained. The impurities are allowed to carry more than one positive charge. This classical system can form a 2D-like classical molecule that exhibits structural transitions and spontaneous symmetry breaking as function of the separation between the positive charges before it transforms into two 2D-like classical atoms. We also observe structural transitions as a function of the dielectric constant of the substrate which supports the charged particles, in addition to broken symmetry states and unbinding of particles. (C) 2002 Elsevier Science Ltd. All rights reserved. |
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 |
000177129500008 |
Publication Date |
2002-10-11 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0038-1098; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
1.554 |
Times cited |
3 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 1.554; 2002 IF: 1.671 |
Call Number |
UA @ lucian @ c:irua:95137 |
Serial |
3268 |
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. |
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 |
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. |
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 |
000348129700053 |
Publication Date |
2015-01-10 |
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;1089-7690; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.965 |
Times cited |
7 |
Open Access |
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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 |
Hadermann, J.; Abakumov, A.M.; Lebedev, O.I.; Van Tendeloo, G.; Rozova, M.G.; Shpanchenko, R.V.; Pavljuk, B.P.; Kopnin, E.M.; Antipov, E.V. |
Title |
Structural transformations in the fluorinated T* phase |
Type |
A1 Journal article |
Year |
1999 |
Publication |
Journal of solid state chemistry |
Abbreviated Journal |
J Solid State Chem |
Volume |
147 |
Issue |
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Pages |
647-656 |
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 |
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Place of Publication |
London |
Editor |
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Language |
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Wos |
000083652600028 |
Publication Date |
2002-10-07 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0022-4596; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.299 |
Times cited |
8 |
Open Access |
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Notes |
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Approved |
Most recent IF: 2.299; 1999 IF: 1.547 |
Call Number |
UA @ lucian @ c:irua:29279 |
Serial |
3266 |
Permanent link to this record |
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Author |
Hadermann, J.; Van Tendeloo, G.; Abakumov, A.M.; Pavlyuk, B.P.; Rozova, M.G.; Antipov, E.V. |
Title |
Structural transformation in fluorinated LaACuGaO5 (A=Ca, Sr) brownmillerites |
Type |
A1 Journal article |
Year |
2000 |
Publication |
International journal of inorganic materials |
Abbreviated Journal |
Int J Inorg Mater |
Volume |
2 |
Issue |
6 |
Pages |
493-502 |
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 |
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Place of Publication |
Amsterdam |
Editor |
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Language |
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Wos |
000165985400005 |
Publication Date |
2002-07-25 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1466-6049; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
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Times cited |
13 |
Open Access |
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Notes |
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Approved |
Most recent IF: NA |
Call Number |
UA @ lucian @ c:irua:36043 |
Serial |
3265 |
Permanent link to this record |
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Author |
Shpanchenko, R.V.; Abakumov, A.M.; Antipov, E.V.; Nistor, L.; Van Tendeloo, G.; Amelinckx, S. |
Title |
Structural study of the new complex oxides Ba5-ySryR2-xAl2Zr1+xO13+x/2 (R=Gd-Lu, Y, Sc) |
Type |
A1 Journal article |
Year |
1995 |
Publication |
Journal of solid state chemistry |
Abbreviated Journal |
J Solid State Chem |
Volume |
118 |
Issue |
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Pages |
180-192 |
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 |
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Place of Publication |
London |
Editor |
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Language |
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Wos |
A1995RN49200028 |
Publication Date |
2002-10-07 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0022-4596; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.133 |
Times cited |
8 |
Open Access |
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Notes |
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Approved |
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Call Number |
UA @ lucian @ c:irua:13315 |
Serial |
3263 |
Permanent link to this record |
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Author |
Gardner, G.P.; Go, Y.B.; Robinson, D.M.; Smith, P.F.; Hadermann, J.; Abakumov, A.; Greenblatt, M.; Dismukes, G.C. |
Title |
Structural requirements in lithium cobalt oxides for the catalytic oxidation of water |
Type |
A1 Journal article |
Year |
2012 |
Publication |
Angewandte Chemie: international edition in English |
Abbreviated Journal |
Angew Chem Int Edit |
Volume |
51 |
Issue |
7 |
Pages |
1616-1619 |
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 |
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Place of Publication |
Weinheim |
Editor |
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Language |
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Wos |
000299946400020 |
Publication Date |
2012-01-11 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1433-7851; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
11.994 |
Times cited |
119 |
Open Access |
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Notes |
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Approved |
Most recent IF: 11.994; 2012 IF: 13.734 |
Call Number |
UA @ lucian @ c:irua:99173 |
Serial |
3258 |
Permanent link to this record |
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Author |
Ye, M.; Schroeder, J.; Mehbod, M.; Deltour, R.; Naessens, G.; Duvigneaud, P.H.; Verbist, K.; Van Tendeloo, G. |
Title |
Structural properties of Zn-substituted epitaxial YBa2Cu3O7-\delta thin films |
Type |
A1 Journal article |
Year |
1996 |
Publication |
Superconductor science and technology |
Abbreviated Journal |
Supercond Sci Tech |
Volume |
9 |
Issue |
7 |
Pages |
543-548 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
We optimized the deposition of YBa2(Cu1-xZnx)(3)O-7-delta thin-films using inverted cylindrical magnetron sputtering and report here a detailed structural study, especially in relation to crystal growth, associated surface morphology, Y2O3 precipitation and other secondary phases important for flux pinning. We find that the epitaxial quality of the Zn-substituted YBa2Cu3O7-delta films is decreased compared with high-quality pure YBa2Cu3O7-delta films prepared under identical conditions. The pure films have smoother surfaces, while those of Zn-substituted films contain pinholes and outgrowths. Secondary phases and a-axis grains were observed in the Zn-substituted films. Y2O3 precipitates with typical dimensions of 50-100 Angstrom have been found in both pure and Zn-substituted samples. However, their density of about 10(23) m(-3), observed in the pure films, is significantly reduced in the Zn-substituted films when increasing the Zn concentration up to 4%. |
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 |
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Language |
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Wos |
A1996UX28600006 |
Publication Date |
2002-08-25 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0953-2048;1361-6668; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.325 |
Times cited |
7 |
Open Access |
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Notes |
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Approved |
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Call Number |
UA @ lucian @ c:irua:15464 |
Serial |
3257 |
Permanent link to this record |