Records |
Author |
Martin, J.M.L.; Taylor, P.R.; François, J.P.; Gijbels, R. |
Title |
Ab initio study of the spectroscopy, kinetics, and thermochemistry of the BN2 molecule |
Type |
A1 Journal article |
Year |
1994 |
Publication |
Chemical physics letters |
Abbreviated Journal |
Chem Phys Lett |
Volume |
222 |
Issue |
|
Pages |
517-523 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
|
Address |
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Corporate Author |
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Thesis |
|
Publisher |
|
Place of Publication |
Amsterdam |
Editor |
|
Language |
|
Wos |
A1994NN02600016 |
Publication Date |
2002-07-25 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0009-2614; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
1.897 |
Times cited |
14 |
Open Access |
|
Notes |
|
Approved |
no |
Call Number |
UA @ lucian @ c:irua:10255 |
Serial |
36 |
Permanent link to this record |
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|
|
Author |
Martin, J.M.L.; Taylor, P.R.; François, J.P.; Gijbels, R. |
Title |
Ab initio study of the spectroscopy, kinetics, and thermochemistry of the C2N and CN2 molecules |
Type |
A1 Journal article |
Year |
1994 |
Publication |
Chemical physics letters |
Abbreviated Journal |
Chem Phys Lett |
Volume |
226 |
Issue |
5/6 |
Pages |
475-483 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
Several structures and electronic states of the C2N and CN2 molecules have been studied using complete active space SCF (CASSCF), multireference configuration interaction (MRCI), and coupled cluster (CCSD(T)) methods. Both molecules are very stable. Our best computed total atomization energies SIGMAD(e) are 288.6 +/- 2 kcal/mol for CN2, and 294.1 +/- 2 kcal/mol for C2N. The CNC and CCN structures for C2N are nearly isoenergetic. CNN(3PI) lies about 30 kcal/mol above NCN(3PI(g)), but has a high barrier towards interconversion and is therefore observed experimentally. Computed harmonic frequencies for CNN are sensitive to the correlation treatment: they are reproduced well using multireference methods as well as the CCSD(T) method. High spin contamination has a detrimental effect on computed harmonic frequencies at the CCSD(T) level. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
|
Place of Publication |
Amsterdam |
Editor |
|
Language |
|
Wos |
A1994PE00500008 |
Publication Date |
2002-07-25 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0009-2614; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
1.897 |
Times cited |
46 |
Open Access |
|
Notes |
|
Approved |
no |
Call Number |
UA @ lucian @ c:irua:10256 |
Serial |
37 |
Permanent link to this record |
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|
Author |
Thomé, T.; Colaux, J.L.; Colomer, J.-F.; Bertoni, G.; Terwagne, G. |
Title |
Formation of carbon nitride nanospheres by ion implantation |
Type |
A1 Journal article |
Year |
2007 |
Publication |
Materials chemistry and physics |
Abbreviated Journal |
Mater Chem Phys |
Volume |
103 |
Issue |
2-3 |
Pages |
290-294 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
Carbon nitride nanospheres have been synthesized into copper by simultaneous high fluence (10(18) at. cm(-2)) implantations of C-12 and N-15 ions. The composition of the implanted region has been measured using C-12(d,p(0))C-13 and N-15(d,alpha(0))C-13 nuclear reactions induced by a 1.05 MeV deuteron beam. The C-12 and N-15 depth profiles are very close and the retained doses into copper are relatively high, which indicates that carbon and nitrogen diffusion processes are likely limited during implantation. High resolution transmission electron microscopy (HRTEM) observations and electron diffraction (ED) analyses have been carried out to determine the structure of the nanospheres formed during implantation. Some consist in small hollow amorphous nanocapsules with sizes ranging from 30 to 100 nm. Large gas bubbles with diameters up to 300 mn have also been observed in the copper matrix. Electron energy-loss spectroscopy (EELS) measurements performed on the small nanocapsules indicate that their shells are composed of carbon and nitrogen. (c) 2007 Elsevier B.V. All rights reserved. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
|
Place of Publication |
Lausanne |
Editor |
|
Language |
|
Wos |
000247715300016 |
Publication Date |
2007-02-25 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0254-0584; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.084 |
Times cited |
1 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 2.084; 2007 IF: 1.871 |
Call Number |
UA @ lucian @ c:irua:102670 |
Serial |
1258 |
Permanent link to this record |
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|
|
Author |
Nikolaev, A.V.; Michel, K.H. |
Title |
Superexchange and electron correlations in alkali fullerides AC60, A=K, Rb, Cs |
Type |
A1 Journal article |
Year |
2005 |
Publication |
The journal of chemical physics |
Abbreviated Journal |
J Chem Phys |
Volume |
122 |
Issue |
6 |
Pages |
064310-64314 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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. |
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 |
000226918100018 |
Publication Date |
2005-02-02 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0021-9606; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.965 |
Times cited |
11 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 2.965; 2005 IF: 3.138 |
Call Number |
UA @ lucian @ c:irua:102740 |
Serial |
3377 |
Permanent link to this record |
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|
|
Author |
Piedigrosso, P.; Konya, Z.; Colomer, J.-F.; Fonseca, A.; Van Tendeloo, G.; Nagy, J.B. |
Title |
Production of differently shaped multi-wall carbon nanotubes using various cobalt supported catalysts |
Type |
A1 Journal article |
Year |
2000 |
Publication |
Physical chemistry, chemical physics |
Abbreviated Journal |
Phys Chem Chem Phys |
Volume |
2 |
Issue |
1 |
Pages |
163-170 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
Catalytic synthesis and transmission electron microscopy (TEM) of multi-wall carbon nanotubes are presented. Silica, zeolite and alumina supported cobalt catalysts were prepared by different methods (impregnation and ion-adsorption precipitation) and were used to produce nanotubes. The synthesis was carried out in a fixed bed flow reactor and the process was optimized in order to produce carbon nanotubes on a gram scale. The influence of various parameters such as the method of catalyst preparation, the nature of the support, cobalt concentration and reaction conditions on the formation of nanotubes was investigated. The carbon deposits were measured and the quality of nanotubes was determined by low and high resolution TEM. Multi-wall straight and coiled nanotubes were found to be fairly regular with an average inner (outer) diameter of 4-7 nm (8-23 nm) and with lengths up to 0.1 mm. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
|
Place of Publication |
Cambridge |
Editor |
|
Language |
|
Wos |
000084333800025 |
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 |
1463-9076;1463-9084; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
4.123 |
Times cited |
53 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 4.123; 2000 IF: 1.653 |
Call Number |
UA @ lucian @ c:irua:102889 |
Serial |
2723 |
Permanent link to this record |
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|
|
Author |
Krekels, T.; Milat, O.; Van Tendeloo, G.; Amelinckx, S.; Babu, T.G.N.; Wright, A.J.; Greaves, C. |
Title |
Order and disorder in (Nd,Ce)nO2nSr2GaCu2O5 and YSr2CoCu2O7 |
Type |
A1 Journal article |
Year |
1993 |
Publication |
Journal of solid state chemistry |
Abbreviated Journal |
J Solid State Chem |
Volume |
105 |
Issue |
2 |
Pages |
313-335 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
|
Address |
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Corporate Author |
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Thesis |
|
Publisher |
|
Place of Publication |
London |
Editor |
|
Language |
|
Wos |
A1993LT32700002 |
Publication Date |
2002-10-07 |
Series Editor |
|
Series Title |
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Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0022-4596; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.133 |
Times cited |
50 |
Open Access |
|
Notes |
|
Approved |
no |
Call Number |
UA @ lucian @ c:irua:102965 |
Serial |
2499 |
Permanent link to this record |
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|
|
Author |
Milat, O.; Van Tendeloo, G.; Amelinckx, S.; Babu, T.G.N.; Greaves, C. |
Title |
Structural variants of Ca0.85CuO2(Ca5+xCu6O12) |
Type |
A1 Journal article |
Year |
1992 |
Publication |
Journal of solid state chemistry |
Abbreviated Journal |
J Solid State Chem |
Volume |
101 |
Issue |
1 |
Pages |
92-114 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
The structure of Ca0.85CuO2 was reexamined by means of electron diffraction and electron microscopy using the newly developed method of selective imaging in intergrowth structures in which the two substructures are based on different sublattices. The results of previous work are confirmed. Moreover, it is shown that two stacking variants and their twin related structures occur in the calcium substructure. The copper-oxygen substructure occurs in one variant only; it is often modulated by the various calcium arrangements, leading to phase disorder in its modulation pattern. It is shown that the ribbons of CuO4 clusters are presumably tilted with respect to the (010) plane. |
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 |
|
Language |
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Wos |
A1992JW94200012 |
Publication Date |
2006-06-12 |
Series Editor |
|
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 |
2.133 |
Times cited |
10 |
Open Access |
|
Notes |
|
Approved |
|
Call Number |
UA @ lucian @ c:irua:103021 |
Serial |
3272 |
Permanent link to this record |
|
|
|
Author |
Milat, O.; Van Tendeloo, G.; Amelinckx, S.; Babu, T.G.N.; Greaves, C. |
Title |
The modulated structure of Ca.85CuO2 as studied by means of electron diffraction and microscopy |
Type |
A1 Journal article |
Year |
1992 |
Publication |
Journal of solid state chemistry |
Abbreviated Journal |
J Solid State Chem |
Volume |
97 |
Issue |
2 |
Pages |
405-418 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
|
Address |
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Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
London |
Editor |
|
Language |
|
Wos |
A1992HL68700019 |
Publication Date |
2003-12-12 |
Series Editor |
|
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 |
2.133 |
Times cited |
15 |
Open Access |
|
Notes |
|
Approved |
PHYSICS, APPLIED 47/145 Q2 # |
Call Number |
UA @ lucian @ c:irua:103042 |
Serial |
3590 |
Permanent link to this record |
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|
Author |
Recham, N.; Casas-Cabanas, M.; Cabana, J.; Grey, C.P.; Jumas, J.-C.; Dupont, L.; Armand, M.; Tarascon, J.-M. |
Title |
Formation of a complete solid solution between the triphylite and fayalite olivine structures |
Type |
A1 Journal article |
Year |
2008 |
Publication |
Chemistry of materials |
Abbreviated Journal |
Chem Mater |
Volume |
20 |
Issue |
21 |
Pages |
6798-6809 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
The recent infatuation for LiFePO4 as positive electrode material in Li-ion batteries has prompted a renewed interest in olivine-type structures, with a view to enhance their conduction proper-ties. We show that the dual substitution of Li for Fe and of P for Si in the olivine LiFePO4 phase leads to a complete solid solution Li1-xFe1+xP1-xSixO4 as deduced from combined X-ray diffraction, Mossbauer, and NMR experiments. Our findings challenge the common belief that the anionic network cannot be substituted. Moreover. it is found that such a substitution promotes Li intersite mixing between the olivine M1 and M2 sites. Such mixing, together with the worsening of the conducting properties of the dually substituted samples, is believed to be responsible for the poor electrochemical performances of the member's series. Beyond x = 0.20, the samples were electrochemically inactive. While the current materials are disappointing application-wise, such a study provides clues to the rich chemistry remaining to be unveiled with olivine-type structures in particular and polyanionic compounds in general. |
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 |
|
Wos |
000260658100036 |
Publication Date |
2008-10-22 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0897-4756;1520-5002; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
9.466 |
Times cited |
35 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 9.466; 2008 IF: 5.046 |
Call Number |
UA @ lucian @ c:irua:103082 |
Serial |
1255 |
Permanent link to this record |
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|
Author |
Kirschhock, C.E.A.; Liang, D.; Aerts, A.; Aerts, C.A.; Kremer, S.P.B.; Jacobs, P.A.; Van Tendeloo, G.; Martens, J.A. |
Title |
On the TEM and AFM evidence of zeosil nanoslabs present during the synthesis of silicalite-1 : reply |
Type |
L1 Letter to the editor |
Year |
2004 |
Publication |
Angewandte Chemie: international edition in English |
Abbreviated Journal |
Angew Chem Int Edit |
Volume |
43 |
Issue |
35 |
Pages |
4562-4564 |
Keywords |
L1 Letter to the editor; Electron microscopy for materials research (EMAT) |
Abstract |
|
Address |
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Corporate Author |
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Thesis |
|
Publisher |
|
Place of Publication |
Weinheim |
Editor |
|
Language |
|
Wos |
000224008400003 |
Publication Date |
2004-08-20 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1433-7851;1521-3773; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
11.994 |
Times cited |
|
Open Access |
|
Notes |
Fwo; Iap-Pai |
Approved |
Most recent IF: 11.994; 2004 IF: 9.161 |
Call Number |
UA @ lucian @ c:irua:103253 |
Serial |
2457 |
Permanent link to this record |
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|
Author |
Linssen, T.; Cassiers, K.; Cool, P.; Lebedev, O.; Whittaker, A.; Vansant, E.F. |
Title |
Physicochemical and structural characterization of mesoporous aluminosilicates synthesized from leached saponite with additional aluminum incorporation |
Type |
A1 Journal article |
Year |
2003 |
Publication |
Chemistry of materials |
Abbreviated Journal |
Chem Mater |
Volume |
15 |
Issue |
25 |
Pages |
4863-4873 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Laboratory of adsorption and catalysis (LADCA) |
Abstract |
A thorough investigation was performed on the physical (mechanical, thermal, and hydrothermal stability) and chemical (ion exchange capacity and silanol number) characteristics of aluminosilicate FSMs, synthesized via a new successful short-time synthesis route using leached saponite and a low concentration of CTAB. Moreover, the influence of an additional Al incorporation, utilizing different aluminum sources, on the structure of the FSM derived from saponite is studied. A mesoporous aluminosilicate with a low Si/Al ratio of 12.8 is synthesized, and still has a very large surface area of 1130 m(2)/g and pore volume of 0.92 cm(3)/g. The aluminum-containing samples all have a high cation exchange capacity of around 1 mmol/9 while they still have a silanol number of about 0.9 OH/nm(2); both characteristics being interesting for high-yield postsynthesis modification reactions. Finally, a study is performed on the transformation of the aluminosilicates into their Bronsted acid form via the exchange with ammonium ions and a consecutive heat treatment. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
|
Place of Publication |
Washington, D.C. |
Editor |
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Language |
|
Wos |
000187250800026 |
Publication Date |
2003-12-09 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0897-4756;1520-5002; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
9.466 |
Times cited |
11 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 9.466; 2003 IF: 4.374 |
Call Number |
UA @ lucian @ c:irua:103265 |
Serial |
2618 |
Permanent link to this record |
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|
|
Author |
Lazoryak, B.I.; Baryshnikova, O.V.; Stefanovich, S.Y.; Malakho, A.P.; Morozov, V.A.; Belik, A.A.; Leonidov, I.A.; Leonidova, O.N.; Van Tendeloo, G. |
Title |
Ferroelectric and ionic-conductive properties of nonlinear-optical vanadate, Ca9Bi(VO4)7 |
Type |
A1 Journal article |
Year |
2003 |
Publication |
Chemistry of materials |
Abbreviated Journal |
Chem Mater |
Volume |
15 |
Issue |
15 |
Pages |
3003-3010 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
Structural, chemical, and physical properties of whitlockite-type Ca9Bi(VO4)(7) were studied by X-ray powder diffraction (XRD), electron diffraction (ED), second-harmonic generation (SHG), thermogravimetry, differential scanning calorimetry, dielectric, and electrical-conductivity measurements. A new phase-transition of the ferroelectric type was found in Ca9Bi(VO4)(7) with a transition temperature, T-c of 1053 +/- 3 K. The polar phase, beta-Ca9Bi(VO4)(7), is stable below T-c down to at least 160 K. The centrosymmetric beta'-phase is stable above T-c up to 1273 +/- 5 K. Above 1273 K, it decomposes to give BiVO4 and whitlockite-type solid solutions of Ca9+1.5xBi1-x(VO4)(7). The beta<---->beta' phase transition is reversible and of second order. Electrical conductivity of beta'-Ca9Bi(VO4)(7) is rather high (sigma = 0.6 x 10(-3) S/cm at 1200 K) and obeys the Arrhenius law with an activation energy of 1.0 eV. Structure parameters of Ca9Bi(VO4)(7) are refined by the Rietveld method from XRD data measured at room temperature (space group R3c; Z = 6; a = 10.8992(1) Angstrom, c = 38.1192(4) Angstrom, and V = 3921.6(1) Angstrom(3); R-wp = 3.06% and R-p = 2.36%). Bi3+ ions together with Ca2+ ions are statistically distributed among the M1, M2, M3, and M5 sites. Ca9Bi(VO4)(7) has a SHG efficiency of about 140 times that of quartz. Through the powder SHG measurements, we estimated the nonlinear optical susceptibility, Digital, at about 6.1-7.2 pm/V. This value for Ca9Bi(VO4)(7) is comparable with that for known nonlinear optical materials such as LiNbO3 and LiTaO3. |
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 |
|
Wos |
000184379900024 |
Publication Date |
2003-07-22 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0897-4756;1520-5002; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
9.466 |
Times cited |
51 |
Open Access |
|
Notes |
Iup V-1; Dwtc |
Approved |
Most recent IF: 9.466; 2003 IF: 4.374 |
Call Number |
UA @ lucian @ c:irua:103284 |
Serial |
1179 |
Permanent link to this record |
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|
|
Author |
Cassiers, K.; van der Voort, P.; Linssen, T.; Vansant, E.F.; Lebedev, O.; van Landuyt, J. |
Title |
A counterion-catalyzed (S0H+)(X-I+) pathway toward heat- and steam-stable mesostructured silica assembled from amines in acidic conditions |
Type |
A1 Journal article |
Year |
2003 |
Publication |
The journal of physical chemistry : B : condensed matter, materials, surfaces, interfaces and biophysical |
Abbreviated Journal |
J Phys Chem B |
Volume |
107 |
Issue |
16 |
Pages |
3690-3696 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Laboratory of adsorption and catalysis (LADCA) |
Abstract |
An alternative pathway to assemble mesoporous molecular sieve silicas is developed using nonionic alkylamines and N,N-dimethylalkylamines (SO) as structure-directing agents in acidic conditions. The synthesized mesostructures possess wormhole-like frameworks with pore sizes and pore volumes in the range of 20-90 Angstrom and 0.5-1.3 cm(3)/g, respectively. The formation of the mesophase is controlled by a counterion-mediated mechanism of the type (S(0)H(+))(X(-)I(+)), where S(0)H(+) are protonated water molecules that are hydrogen bonded to the lone electron pairs on the amine surfactant headgroups (S(0)H(+)), X(-) is the counteranion originating from the acid, and I(+) are the positively charged (protonated) silicate species. We found that the stronger the ion X(-) is bonded to S(0)H(+), the more it catalyzes the silica condensation into (S(0)H(+))(X(-)I(+)). Br(-) is shown to be a strong binding anion and therefore a fast silica polymerization promoter compared to Cl(-) resulting in the formation of a higher quality mesophase for the Br(-) syntheses. We also showed that the polymerization rate of the silica, dictated by the counterion, controls the morphology of the mesostructures from nonuniform agglomerated blocks in the case of Br(-) syntheses to spherical particles for the Cl(-) syntheses. Next to many benefits such as low temperature, short synthesis time, and the use of inexpensive, nontoxic, and easily extractable amine templates, the developed materials have a remarkable higher thermal and hydrothermal stability compared to hexagonal mesoporous silica, which is also prepared with nonionic amines but formed through the S(0)I(0) mechanism. |
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 |
|
Language |
|
Wos |
000182350200005 |
Publication Date |
2003-04-17 |
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 |
9 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 3.177; 2003 IF: 3.679 |
Call Number |
UA @ lucian @ c:irua:103300 |
Serial |
24 |
Permanent link to this record |
|
|
|
Author |
Verberck, B.; Michel, K.H.; Nikolaev, A.V. |
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 |
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. |
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 |
000175905800044 |
Publication Date |
2002-07-26 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
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 |
|
|
|
Author |
Stuer, C.; van Landuyt, J.; Bender, H.; de Wolf, I.; Rooyackers, R.; Badenes, G. |
Title |
Investigation by convergent beam electron diffraction of the stress around shallow trench isolation structures |
Type |
A1 Journal article |
Year |
2001 |
Publication |
Journal of the electrochemical society |
Abbreviated Journal |
J Electrochem Soc |
Volume |
148 |
Issue |
11 |
Pages |
G597-G601 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
Convergent beam electron diffraction (CBED) is used in this study to investigate the stress distribution around shallow trench isolation (STI) structures. Attention is given to the influence of the different processing parameters and the width and spacing of the structures. The use of a wet or a dry pregate oxidation is found to have a strong influence on the stress behavior. Isolated lines show more stress, leading to the formation of defects in the silicon substrate if a wet pregate oxidation is used. The CBED analyses are compared with micro-Raman and bright-field transmission electron microscopy measurements. (C) 2001 The Electrochemical Society. |
Address |
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Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
New York, N.Y. |
Editor |
|
Language |
|
Wos |
000171653100038 |
Publication Date |
2002-07-26 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0013-4651; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.259 |
Times cited |
13 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 3.259; 2001 IF: 2.033 |
Call Number |
UA @ lucian @ c:irua:103394 |
Serial |
1725 |
Permanent link to this record |
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|
|
Author |
Van Tendeloo, G.; Garlea, O.; Darie, C.; Bougerol-Chaillout, C.; Bordet, P. |
Title |
The fine structure of YCuO2+x delafossite determined by synchrotron powder diffraction and electron microscopy |
Type |
A1 Journal article |
Year |
2001 |
Publication |
Journal of solid state chemistry |
Abbreviated Journal |
J Solid State Chem |
Volume |
156 |
Issue |
2 |
Pages |
428-436 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
YCuO2 delafossite crystallizes into two stacking variants; hexagonal 2H or rhombohedral 3R, depending on the preparation conditions. The structure of the fully oxygenated material YCuO2.50 has been determined as orthorhombic (a(O) = 6.1961 Angstrom; b(O) = 11.2158 Angstrom; c(O) = 7.1505 Angstrom; space group Pnma). The structure is based on the hexagonal 2H structure (a(O) = a(H)root3; b(O) = c(H); c(O) = 2a(H)). Upon incomplete oxidation, a different YCuOZ phase with ideal composition YCuO2.33 and lattice parameters a(H root)3, a(H)root3, c(H) is also formed. Diffraction patterns are often very complex because of the presence of planar defects and intergrowth of both phases. Under electron beam irradiation, oxygen is released from the structure and one phase gradually transforms into the other. (C) 2001 Academic Press. |
Address |
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Corporate Author |
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Thesis |
|
Publisher |
|
Place of Publication |
London |
Editor |
|
Language |
|
Wos |
000167252000025 |
Publication Date |
2002-09-18 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0022-4596; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.299 |
Times cited |
33 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 2.299; 2001 IF: 1.614 |
Call Number |
UA @ lucian @ c:irua:103425 |
Serial |
3581 |
Permanent link to this record |
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|
|
Author |
Hervieu, M.; Martin, C.; Maignan, A.; Van Tendeloo, G.; Jirak, Z.; Hejtmanek, J.; Barnabe, A.; Thopart, D.; Raveau, B. |
Title |
Structural and magnetotransport transitions in the electron-doped Pr1-xSrxMnO3(0.85\leq x\leq1) manganites |
Type |
A1 Journal article |
Year |
2000 |
Publication |
Chemistry and materials |
Abbreviated Journal |
Chem Mater |
Volume |
12 |
Issue |
5 |
Pages |
1456-1462 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
The exploration of the Mn4+-rich side of the Pr1-xSrxMnO3 system has allowed the extension of the domain of the cubic perovskite, by using a two-step process, combining synthesis under Ar flow at high temperature and O-2 pressure annealing at lower temperature. We show that these Pr-doped cubic perovskites exhibit a coupled structural (cubic-tetragonal) and magnetic (para-antiferro) transition connected with a resistivity jump at the same temperature. The strong interplay between lattice, charges, and spins for these oxides results from the appearance at low temperature of the distorted C-type antiferromagnetic structure. The Pr1-xSrxMnO3 magnetic phase diagram shows, for 0.9 less than or equal to x less than or equal to 1 (i.e., on the Mn4+-rich side), the existence at low temperature of C- and G-type antiferromagnetism. The absence of ferromagnetic-antiferromagnetic competition explains that magnetoresistante properties are not observed in this system, in contrast to Mn4+-rich Ln(1-x)Ca(x)MnO(3) systems. |
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 |
|
Wos |
000087136800039 |
Publication Date |
2002-07-26 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0897-4756;1520-5002; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
9.466 |
Times cited |
24 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 9.466; 2000 IF: 3.580 |
Call Number |
UA @ lucian @ c:irua:103454 |
Serial |
3198 |
Permanent link to this record |
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|
|
Author |
Bussmann-Holder, A.; Dalal, N.; Michel, K.H. |
Title |
Polarizability induced cooperative proton ordering, coexistence of order/disorder and displacive dynamics and isotope effects in hydrogen-bonded systems |
Type |
A1 Journal article |
Year |
2000 |
Publication |
The journal of physics and chemistry of solids
T2 – Williamsburg Workshop on Ferroelectrics 99, JAN 31-FEB 03, 1999, WILLIAMSBURG, VIRGINIA |
Abbreviated Journal |
J Phys Chem Solids |
Volume |
61 |
Issue |
2 |
Pages |
271-274 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
Despite the general belief that hydrogen-bonded ferro- and antiferroelectrics undergo a pure order/disorder transition at the structural instability, new NMR data and a new theoretical concept yield convincing evidence that a pronounced displacive component is present in these systems, which modifies substantially the temperature dependencies of the tunnel and lattice mode frequencies. The experiments and their interpretation are presented. (C) 1999 Elsevier Science Ltd. All rights reserved. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
Pergamon-elsevier science ltd |
Place of Publication |
Oxford |
Editor |
|
Language |
|
Wos |
000084147000020 |
Publication Date |
2002-07-25 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0022-3697; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.059 |
Times cited |
8 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 2.059; 2000 IF: 1.003 |
Call Number |
UA @ lucian @ c:irua:103469 |
Serial |
2660 |
Permanent link to this record |
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|
|
Author |
Li, Y.; Zhang, X.; Shen, L.; Luo, J.; Tao, X.; Liu, F.; Xu, G.; Wang, Y.; Geise, H.J.; Van Tendeloo, G. |
Title |
Controlling the diameters in large-scale synthesis of single-walled carbon nanotubes by catalytic decomposition of CH4 |
Type |
A1 Journal article |
Year |
2004 |
Publication |
Chemical physics letters |
Abbreviated Journal |
Chem Phys Lett |
Volume |
398 |
Issue |
1-3 |
Pages |
276-282 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
High-quality single-walled carbon nanotubes (SWNTs) are synthesized in gram amount on Fe-Mo/MgO catalysts by catalytic decomposition of CH4 in H-2 or N-2. Raman data reveal that the as-prepared SATNTs have a diameter of about 0.74-1.29 nm. It is found that the diameter of the as-prepared SWNTs can be controlled mainly by adjusting the molar ratio of Fe-Mo versus the MgO support. Several other factors that potentially influence the growth of SWNTs have been studied in detail. The experimental results show that the nature of the catalyst determines the diameter of the as-prepared SWNTs. (C) 2004 Elsevier B.V. All rights reserved. |
Address |
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Corporate Author |
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Thesis |
|
Publisher |
|
Place of Publication |
Amsterdam |
Editor |
|
Language |
|
Wos |
000224720300050 |
Publication Date |
2004-10-12 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0009-2614; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
1.815 |
Times cited |
45 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 1.815; 2004 IF: 2.438 |
Call Number |
UA @ lucian @ c:irua:103720 |
Serial |
507 |
Permanent link to this record |
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|
Author |
de Gryse, O.; Clauws, P.; Vanhellemont, J.; Lebedev, O.I.; van Landuyt, J.; Simoen, E.; Claeys, C. |
Title |
Characterization of oxide precipitates in heavily B-doped silicon by infrared spectroscopy |
Type |
A1 Journal article |
Year |
2004 |
Publication |
Journal of the electrochemical society |
Abbreviated Journal |
J Electrochem Soc |
Volume |
151 |
Issue |
9 |
Pages |
G598-G605 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
Infrared absorption spectra of oxygen precipitates in boron-doped silicon with a boron concentration between 10(17) and 10(19) cm(-3) are analyzed, applying the spectral function representation of composite materials. The aspect ratio of the platelet precipitates is determined by transmission electron microscopy measurements. The analysis shows that in samples with moderate doping levels (<10(18) B cm(-3)) SiOγ precipitates are formed with the same composition as in the lightly doped case. In the heavily boron-doped (>10(18) cm(-3)) samples, however, the measured spectra of the precipitates are consistent with a mixture of SiO2 and B2O3, with a volume fraction of B2O3 as high as 0.41 in the most heavily doped case. (C) 2004 The Electrochemical Society. |
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 |
000223622000072 |
Publication Date |
2004-08-30 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0013-4651; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.259 |
Times cited |
13 |
Open Access |
|
Notes |
Fwo; Iuap P5/01 |
Approved |
Most recent IF: 3.259; 2004 IF: 2.356 |
Call Number |
UA @ lucian @ c:irua:103760 |
Serial |
330 |
Permanent link to this record |
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|
Author |
Titantah, J.T.; Pierleoni, C.; Ryckaert, J.-P. |
Title |
Single chain elasticity and thermoelasticity of polyethylene |
Type |
A1 Journal article |
Year |
2002 |
Publication |
The journal of chemical physics |
Abbreviated Journal |
J Chem Phys |
Volume |
117 |
Issue |
19 |
Pages |
9028-9036 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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. |
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 |
|
Language |
|
Wos |
000178934700046 |
Publication Date |
2002-10-31 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0021-9606; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.965 |
Times cited |
5 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 2.965; 2002 IF: 2.998 |
Call Number |
UA @ lucian @ c:irua:103862 |
Serial |
3018 |
Permanent link to this record |
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|
Author |
Willems, I.; Konya, Z.; Colomer, J.F.; Van Tendeloo, G.; Nagaraju, N.; Fonseca, A.; Nagy, J.B. |
Title |
Control of the outer diameter of thin carbon nanotubes synthesized by catalytic decomposition of hydrocarbons |
Type |
A1 Journal article |
Year |
2000 |
Publication |
Chemical physics letters |
Abbreviated Journal |
Chem Phys Lett |
Volume |
317 |
Issue |
1-2 |
Pages |
71-76 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
Multi-wall carbon nanotubes have been produced by the catalytic decomposition of acetylene. Go-Mo, Co-V and Co-Fe mixtures supported either on zeolite or corundum alumina were used as catalysts. When Fe or V is added to Co, the carbon deposit increases. The nanotubes were characterized by both low and high resolution TEM. From histograms representing the outer diameter distributions, it is clear that the outer diameter of the nanotubes can be controlled by choosing the appropriate catalyst. (C) 2000 Elsevier Science 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 |
|
Language |
|
Wos |
000085128300013 |
Publication Date |
2002-07-25 |
Series Editor |
|
Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0009-2614; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
1.815 |
Times cited |
130 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 1.815; 2000 IF: 2.364 |
Call Number |
UA @ lucian @ c:irua:103956 |
Serial |
499 |
Permanent link to this record |
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Author |
Colomer, J.F.; Stephan, C.; Lefrant, S.; Van Tendeloo, G.; Willems, I.; Konya, Z.; Fonseca, A.; Laurent, C.; Nagy, J.B. |
Title |
Large-scale synthesis of single-wall carbon nanotubes by catalytic chemical vapor deposition (CCVD) method |
Type |
A1 Journal article |
Year |
2000 |
Publication |
Chemical physics letters |
Abbreviated Journal |
Chem Phys Lett |
Volume |
317 |
Issue |
1-2 |
Pages |
83-89 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
The large-scale production of single-wall carbon nanotubes (SWNTs) is reported. Large quantities of SWNTs can be synthesised by catalytic decomposition of methane over well-dispersed metal particles supported on MgO at 1000 degrees C. The thus produced SWNTs can be separated easily from the support by a simple acidic treatment to obtain a product with high yields (70-80%) of SWNTs. Because the typical synthesis time is 10 min, 1 g of SWNTs can be synthesised per day by this method. The SWNTs are characterized by high-resolution transmission electron microscopy and by Raman spectroscopy, showing the quality and the quantity of products. (C) 2000 Elsevier Science 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 |
|
Language |
|
Wos |
000085128300015 |
Publication Date |
2002-07-26 |
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 |
0009-2614; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
1.815 |
Times cited |
344 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 1.815; 2000 IF: 2.364 |
Call Number |
UA @ lucian @ c:irua:103957 |
Serial |
1782 |
Permanent link to this record |
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|
|
Author |
Nikolaev, A.V.; Michel, K.H. |
Title |
Many electron- and hole terms of molecular ions C60n\pm |
Type |
A1 Journal article |
Year |
2003 |
Publication |
Coupling In Chemistry And Physics |
Abbreviated Journal |
Adv Quantum Chem |
Volume |
44 |
Issue |
|
Pages |
305-312 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
|
Address |
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Corporate Author |
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Thesis |
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Publisher |
|
Place of Publication |
New York, N.Y. |
Editor |
|
Language |
|
Wos |
000188940800019 |
Publication Date |
2004-05-19 |
Series Editor |
|
Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0065-3276; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
1.196 |
Times cited |
1 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 1.196; 2003 IF: 0.375 |
Call Number |
UA @ lucian @ c:irua:104131 |
Serial |
1942 |
Permanent link to this record |
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|
|
Author |
Luhrs, C.C.; Molins, E.; Van Tendeloo, G.; Beltran-Porter, D.; Fuertes, A. |
Title |
Crystal structure of Bi6Sr8-xCa3+xO22(-0.5\leq x\leq1.7): a mixed valence bismuth oxide related to perovskite |
Type |
A1 Journal article |
Year |
1998 |
Publication |
Chemistry of materials |
Abbreviated Journal |
Chem Mater |
Volume |
10 |
Issue |
7 |
Pages |
1875-1881 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
The crystal structure of BiSr8-xCa3+xO22 has been determined by single-crystal X-ray diffraction. This phase is the same as Bi9Sr11Ca5Oy that was previously studied by several authors as a secondary phase in the Bi-Sr-Ca-Cu-O system and coexists in thermodynamic equilibrium with the superconductors Bi2Sr2CuO6 and Bi2Sr2CaCu2O8 It crystallizes in the monoclinic space group P2(1)/c, with cell parameters a 11.037(3) Angstrom, b = 5.971(2) Angstrom, c = 19.703(7) Angstrom, beta = 101.46(3)degrees Z = 2. The structure was solved by direct methods and full-matrix least-squares refinement. It is built up by perovskite-related blocks of composition [Sr8-xBi2Ca3+xO16] that intergrow with double rows [Bi4O6] running along b. The perovskite blocks are formed by groups of five octahedra that are shifted from each other 3/2 root 2a(p) along [110](p) (a(p) being the parameter of the cubic perovskite subcell) in a zigzag configuration and are aligned with this direction parallel to the one forming an angle of 25" with the c axis. In turn, the perovskite blocks [Sr8-xBi2Ca3+xO16] are shifted from each other 1/2 of both a(p) and root 2a(p) along [100](p) and [110](p), respectively. In the double rows, two trivalent bismuth atoms are placed, forming dimeric anion complexes [Bi2O6].(6-).6- The oxygen atoms around bismuth in these dimers are placed in the vertexes of a distorted trigonal bipyramid, with one vacant position that would be occupied by the lone pairs characteristic for the electronic configuration of Bi(III). The B sites in the perovskite blocks are occupied by pentavalent bismuth atoms and calcium atoms; the remaining Sr and Ca ions occupy the A sites of the perovskite blocks with coordination numbers with oxygen ranging from 10 to 12. The mean valence for Bi is +3.67 [33.3% of Bi(V) and 66.7% of Bi(III)]. The oxygen vacancies are located in the boundaries between domains having the two possible configurations of the perovskite subcell as in the anionic superconductor Bi3BaO5.5. The oxidation of Bi6Sr8-xCa3+xO22 at 650 degrees C allows the complete filling of the oxygen vacancies to form the double perovskite (Sr2-xCax)Bi1.4Ca0.6O6 that shows 92.5% of bismuth in +5 oxidation state. The experimental high-resolution electon microscopy image and the electron diffraction pattern of powder samples along the [010]* zone axis are in good agreement with those calculated from the structural model obtained by single-crystal X-ray diffraction. The material is almost free of defects and the occurrence of planar defects is very exceptional. |
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 |
|
Language |
|
Wos |
000075019300023 |
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 |
0897-4756;1520-5002; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
9.466 |
Times cited |
6 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 9.466; 1998 IF: 3.359 |
Call Number |
UA @ lucian @ c:irua:104328 |
Serial |
570 |
Permanent link to this record |
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|
|
Author |
Radaelli, P.G.; Marezio, M.; Tholence, J.L.; Debrion, S.; Santoro, A.; Huang, Q.; Capponi, J.J.; Chaillout, C.; Krekels, T.; Van Tendeloo, G. |
Title |
Crystal-structure of the double-hg-layer copper-oxide superconductor (Hg,Pr)2Ba2(Y,Ca)Cu2O8-\deltaas a function of doping |
Type |
A1 Journal article |
Year |
1995 |
Publication |
The journal of physics and chemistry of solids |
Abbreviated Journal |
J Phys Chem Solids |
Volume |
56 |
Issue |
10 |
Pages |
1471-1478 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
The crystal structure of the newly discovered double-Hg-layer copper oxide superconductor (Hg, Pr)(2)Ba-2(Y, Ca)Cu2O8-delta was studied as a function of chemical doping using neutron and electron diffraction and high-resolution transmission electron microscopy (HREM). Rietveld refinements of the structural parameters from neutron powder diffraction data indicate that the oxygen site O3 on the mercury plane is highly defective, being both partially occupied and displaced from the high-symmetry position. The variable concentration of oxygen vacancies partially compensates for the cation doping and, together with the O3 displacement field, makes some of the Hg atoms acquire an unusual pyramidal coordination. HREM images confirm that the structure is of the '2212' type, with very few defects. In some grains, faint superstructure reflections were evidenced by electron diffraction, suggesting that both the oxygen vacancies and the O3 displacement field may order at least on a local scale. |
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 |
|
Language |
|
Wos |
A1995RR95600025 |
Publication Date |
2002-07-26 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0022-3697; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
1.853 |
Times cited |
16 |
Open Access |
|
Notes |
|
Approved |
no |
Call Number |
UA @ lucian @ c:irua:104423 |
Serial |
574 |
Permanent link to this record |
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|
Author |
Huve, M.; Martin, C.; Maignan, A.; Michel, C.; Van Tendeloo, G.; Hervieu, M.; Raveau, B. |
Title |
A new cuprate with mercury bilayers : the “2222” oxide Hg2-xMxBa2Pr2Cu2O10-\delta (M= Cu,Pr) |
Type |
A1 Journal article |
Year |
1995 |
Publication |
Journal of solid state chemistry |
Abbreviated Journal |
J Solid State Chem |
Volume |
114 |
Issue |
1 |
Pages |
230-235 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
A ''2222'' cuprate with mercury bilayers (Hg1.5Cu0.2Pr0.3)Ba2Pr2Cu2O10-delta, has been synthesized for the first time. It crystallizes in the P4/nmm space group with a = 3.9072(1) Angstrom and c = 17.219(1) Angstrom. The powder XRD and HREM studies of this new cuprate show that its structure consists of an intergrowth of double pyramidal (oxygen-deficient perovskite) copper layers, with double fluorite-type layers and distorted triple rock salt layers (mercury bilayers). The structure of this phase can be deduced from that of the ''2212'' mercury cuprate (Hg1.5Cu0.2Pr0.3)Ba2PrCu2O8-delta by the introduction of one additional [PrO2]infinity fluorite layer. The regular stacking of the metallic layer and the uniform cationic distribution in the mercury bilayers are remarkable features of this cuprate. The stabilization of the mercury bilayers by praseodymium and the absence of superconductivity are discussed. (C) 1995 Academic Press, Inc. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
|
Place of Publication |
London |
Editor |
|
Language |
|
Wos |
A1995QA17000033 |
Publication Date |
2002-10-07 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0022-4596; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.133 |
Times cited |
6 |
Open Access |
|
Notes |
|
Approved |
PHYSICS, APPLIED 28/145 Q1 # |
Call Number |
UA @ lucian @ c:irua:104448 |
Serial |
2310 |
Permanent link to this record |
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|
Author |
Smits, M.; Ling, Y.; Lenaerts, S.; Van Doorslaer, S. |
Title |
Photocatalytic removal of soot : unravelling of the reaction mechanism by EPR and in situ FTIR spectroscopy |
Type |
A1 Journal article |
Year |
2012 |
Publication |
ChemPhysChem : a European journal of chemical physics and physical chemistry |
Abbreviated Journal |
Chemphyschem |
Volume |
13 |
Issue |
18 |
Pages |
4251-4257 |
Keywords |
A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL) |
Abstract |
Photocatalytic soot oxidation is studied on P25 TiO2 as an important model reaction for self-cleaning processes by means of electron paramagnetic resonance (EPR) and Fourier transform infrared (FTIR) spectroscopy. Contacting of carbon black with P25 leads on the one hand to a reduction of the local dioxygen concentration in the powder. On the other hand, the weakly adsorbed radicals on the carbon particles are likely to act as alternative traps for the photogenerated conduction-band electrons. We find furthermore that the presence of dioxygen and oxygen-related radicals is vital for the photocatalytic soot degradation. The complete oxidation of soot to CO2 is evidenced by in situ FTIR spectroscopy, no intermediate CO is detected during the photocatalytic process. |
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 |
000313692600026 |
Publication Date |
2012-11-13 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1439-4235 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.075 |
Times cited |
9 |
Open Access |
|
Notes |
; This work was supported by the University of Antwerp (PhD grants of M. S. and Y.L.). We would like to thank Birger Hauchecorne for the scientific discussion. ; |
Approved |
Most recent IF: 3.075; 2012 IF: 3.349 |
Call Number |
UA @ admin @ c:irua:104568 |
Serial |
5980 |
Permanent link to this record |
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|
Author |
Bings, N.H.; Bogaerts, A.; Broekaert, J.A.C. |
Title |
Atomic spectroscopy |
Type |
A1 Journal article |
Year |
2013 |
Publication |
Analytical chemistry |
Abbreviated Journal |
Anal Chem |
Volume |
85 |
Issue |
2 |
Pages |
670-704 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
|
Address |
|
Corporate Author |
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Thesis |
|
Publisher |
|
Place of Publication |
Washington, D.C. |
Editor |
|
Language |
|
Wos |
000313668400013 |
Publication Date |
2012-11-07 |
Series Editor |
|
Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0003-2700;1520-6882; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
6.32 |
Times cited |
29 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 6.32; 2013 IF: 5.825 |
Call Number |
UA @ lucian @ c:irua:104719 |
Serial |
190 |
Permanent link to this record |
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|
|
Author |
Neyts, E.C.; Bogaerts, A. |
Title |
Combining molecular dynamics with Monte Carlo simulations : implementations and applications |
Type |
A1 Journal article |
Year |
2013 |
Publication |
Theoretical chemistry accounts : theory, computation, and modeling |
Abbreviated Journal |
Theor Chem Acc |
Volume |
132 |
Issue |
2 |
Pages |
1320-12 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
In this contribution, we present an overview of the various techniques for combining atomistic molecular dynamics with Monte Carlo simulations, mainly in the context of condensed matter systems, as well as a brief summary of the main accelerated dynamics techniques. Special attention is given to the force bias Monte Carlo technique and its combination with molecular dynamics, in view of promising recent developments, including a definable timescale. Various examples of the application of combined molecular dynamics / Monte Carlo simulations are given, in order to demonstrate the enhanced simulation efficiency with respect to either pure molecular dynamics or Monte Carlo. |
Address |
|
Corporate Author |
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Thesis |
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Publisher |
|
Place of Publication |
|
Editor |
|
Language |
|
Wos |
000318294700010 |
Publication Date |
2012-12-19 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1432-881X;1432-2234; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
1.89 |
Times cited |
27 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 1.89; 2013 IF: 2.143 |
Call Number |
UA @ lucian @ c:irua:104725 |
Serial |
404 |
Permanent link to this record |