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Records |
Links |
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Author |
Pelloquin, D.; Hadermann, J.; Giot, M.; Caignaert, V.; Michel, C.; Hervieu, M.; Raveau, B. |
![goto web page (via DOI) doi](http://nano.uantwerpen.be/nanorefs/img/doi.gif)
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Title |
Novel, oxygen-deficient n=3 RP-member Sr3NdFe3O9-\delta and its topotactic derivatives |
Type |
A1 Journal article |
|
Year |
2004 |
Publication |
Chemistry of materials |
Abbreviated Journal |
Chem Mater |
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Volume |
16 |
Issue |
|
Pages |
1715-1724 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Washington, D.C. |
Editor |
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Language |
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Wos |
000221345000019 |
Publication Date |
2004-04-27 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
|
Edition |
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ISSN |
0897-4756;1520-5002; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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|
Impact Factor |
9.466 |
Times cited |
24 |
Open Access |
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Notes |
|
Approved |
Most recent IF: 9.466; 2004 IF: 4.103 |
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Call Number |
UA @ lucian @ c:irua:47318 |
Serial ![sorted by Serial field, ascending order (up)](img/sort_asc.gif) |
2381 |
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Permanent link to this record |
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Author |
Neyts, E.C.; Bogaerts, A. |
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Title |
Numerical study of the size-dependent melting mechanisms of nickel nanoclusters |
Type |
A1 Journal article |
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Year |
2009 |
Publication |
The journal of physical chemistry: C : nanomaterials and interfaces |
Abbreviated Journal |
J Phys Chem C |
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Volume |
113 |
Issue |
7 |
Pages |
2771-2776 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
Molecular dynamics simulations were used to investigate the size-dependent melting mechanism of nickel nanoclusters of various sizes. The melting process was monitored by the caloric curve, the overall cluster Lindemann index, and the atomic Lindemann index. Size-dependent melting temperatures were determined, and the correct linear dependence on inverse diameter was recovered. We found that the melting mechanism gradually changes from dynamic coexistence melting to surface melting with increasing cluster size. These findings are of importance in better understanding carbon nanotube growth by catalytic chemical vapor deposition as the phase state of the catalyst nanoparticle codetermines the growth mechanism. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Washington, D.C. |
Editor |
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Language |
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Wos |
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Publication Date |
0000-00-00 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1932-7447 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
4.536 |
Times cited |
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Open Access |
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Notes |
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Approved |
Most recent IF: 4.536; 2009 IF: 4.224 |
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Call Number |
UA @ lucian @ c:irua:76495 |
Serial ![sorted by Serial field, ascending order (up)](img/sort_asc.gif) |
2410 |
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Permanent link to this record |
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Author |
Kolev, I.; Bogaerts, A. |
![goto web page (via DOI) doi](http://nano.uantwerpen.be/nanorefs/img/doi.gif)
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Title |
Numerical study of the sputtering in a dc magnetron |
Type |
A1 Journal article |
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Year |
2009 |
Publication |
Journal of vacuum science and technology: A: vacuum surfaces and films |
Abbreviated Journal |
J Phys Chem C |
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Volume |
27 |
Issue |
1 |
Pages |
20-28 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
Molecular dynamics simulations were used to investigate the size-dependent melting mechanism of nickel nanoclusters of various sizes. The melting process was monitored by the caloric curve, the overall cluster Lindemann index, and the atomic Lindemann index. Size-dependent melting temperatures were determined, and the correct linear dependence on inverse diameter was recovered. We found that the melting mechanism gradually changes from dynamic coexistence melting to surface melting with increasing cluster size. These findings are of importance in better understanding carbon nanotube growth by catalytic chemical vapor deposition as the phase state of the catalyst nanoparticle codetermines the growth mechanism. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
New York, N.Y. |
Editor |
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Language |
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Wos |
000263299600018 |
Publication Date |
2009-02-03 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1932-7447;1932-7455; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
4.536 |
Times cited |
66 |
Open Access |
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Notes |
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Approved |
Most recent IF: 4.536; 2009 IF: 4.224 |
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Call Number |
UA @ lucian @ c:irua:71634 |
Serial ![sorted by Serial field, ascending order (up)](img/sort_asc.gif) |
2411 |
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Permanent link to this record |
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Author |
Yin, S.; Tian, H.; Ren, Z.; Wei, X.; Chao, C.; Pei, J.; Li, X.; Xu, G.; Shen, G.; Han, G. |
![find record details (via OpenURL) openurl](img/xref.gif)
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Title |
Octahedral-shaped perovskite nanocrystals and their visible-light photocatalytic activity |
Type |
A1 Journal article |
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Year |
2014 |
Publication |
Chemical communications |
Abbreviated Journal |
Chem Commun |
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Volume |
50 |
Issue |
45 |
Pages |
6027-6030 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
Octahedral-shaped perovskite PbTiO3 nanocrystals (PT OCT) with well-defined {111} facets exposed have been successfully synthesized via a facile hydrothermal method by using LiNO3 as an ion surfactant. The Li-O bond on the surface of PT OCT nanocrystals is essential to the stability of such nanocrystals and also results in a dramatic high visible-light photocatalytic activity. |
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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 |
000335984700022 |
Publication Date |
2014-04-15 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1359-7345;1364-548X; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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|
Impact Factor |
6.319 |
Times cited |
19 |
Open Access |
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Notes |
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Approved |
Most recent IF: 6.319; 2014 IF: 6.834 |
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Call Number |
UA @ lucian @ c:irua:117690 |
Serial ![sorted by Serial field, ascending order (up)](img/sort_asc.gif) |
2428 |
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Permanent link to this record |
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Author |
Gélard, J.; Jehanathan, N.; Roussel, H.; Gariglio, S.; Lebedev, O.I.; Van Tendeloo, G.; Dubourdieu, C. |
![goto web page (via DOI) doi](http://nano.uantwerpen.be/nanorefs/img/doi.gif)
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Title |
Off-stoichiometry effects on the crystalline and defect structure of hexagonal manganite REMnO3 films (RE = Y, Er, Dy) |
Type |
A1 Journal article |
|
Year |
2011 |
Publication |
Chemistry of materials |
Abbreviated Journal |
Chem Mater |
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Volume |
23 |
Issue |
5 |
Pages |
1232-1238 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
The crystalline and defect structure of epitaxial hexagonal RExMnyO3 (RE = Er, Dy) films with varying cationic composition was investigated by X-ray diffraction and transmission electron microscopy. The films are composed of a strained layer at the interface with the substrate and of a relaxed layer on top of it. The critical thickness is of 10 to 25 nm. For Mn-rich films (or RE deficient), an off-stoichiometric composition maintaining the hexagonal LuMnO3-type structure is stabilized over a large range of the RE/Mn ratio (0.72−1.00), with no Mn-rich secondary phases observed. A linear dependence of the out-of-plane lattice parameter with RE/Mn is observed in this range. Out-of-phase boundary (OPB) extended defects are observed in all films and exhibit a local change in stoichiometry. Such a large solubility limit in the RE deficient region points toward the formation of vacancies on the RE site (RExMnO3−δ, with 0.72 ≤ x < 1), a phenomenon that is encountered in perovskite manganites such as LaxMnO3−δ (x < 1) and that may strongly impact the physical properties of hexagonal manganites. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Washington, D.C. |
Editor |
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Language |
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Wos |
000287767200022 |
Publication Date |
2011-02-03 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0897-4756;1520-5002; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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|
Impact Factor |
9.466 |
Times cited |
17 |
Open Access |
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|
Notes |
|
Approved |
Most recent IF: 9.466; 2011 IF: 7.286 |
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Call Number |
UA @ lucian @ c:irua:88649 |
Serial ![sorted by Serial field, ascending order (up)](img/sort_asc.gif) |
2430 |
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Permanent link to this record |
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Author |
Martin, J.M.L.; François, J.P.; Gijbels, R. |
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Title |
On the effect of centrifugal stretching on the rotational partition function of an asymmetric top |
Type |
A1 Journal article |
|
Year |
1991 |
Publication |
The journal of chemical physics |
Abbreviated Journal |
J Chem Phys |
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Volume |
95 |
Issue |
|
Pages |
8374-8389 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
New York, N.Y. |
Editor |
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Language |
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Wos |
A1991GR66500062 |
Publication Date |
0000-00-00 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0021-9606 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.952 |
Times cited |
12 |
Open Access |
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Notes |
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Approved |
no |
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Call Number |
UA @ lucian @ c:irua:716 |
Serial ![sorted by Serial field, ascending order (up)](img/sort_asc.gif) |
2434 |
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Permanent link to this record |
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Author |
Martin, J.M.L.; François, J.P.; Gijbels, R. |
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Title |
On the heat formation of C8 and higher carbon clusters (letter to the editor) |
Type |
A1 Journal article |
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Year |
1991 |
Publication |
The journal of chemical physics |
Abbreviated Journal |
J Chem Phys |
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Volume |
95 |
Issue |
|
Pages |
9420-9421 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
New York, N.Y. |
Editor |
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Language |
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Wos |
A1991GV82500076 |
Publication Date |
0000-00-00 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0021-9606 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.952 |
Times cited |
27 |
Open Access |
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Notes |
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Approved |
no |
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Call Number |
UA @ lucian @ c:irua:719 |
Serial ![sorted by Serial field, ascending order (up)](img/sort_asc.gif) |
2437 |
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Permanent link to this record |
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Author |
Shariat, M.; Shokri, B.; Neyts, E.C. |
![find record details (via OpenURL) openurl](img/xref.gif)
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Title |
On the low-temperature growth mechanism of single walled carbon nanotubes in plasma enhanced chemical vapor deposition |
Type |
A1 Journal article |
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Year |
2013 |
Publication |
Chemical physics letters |
Abbreviated Journal |
Chem Phys Lett |
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Volume |
590 |
Issue |
|
Pages |
131-135 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
Despite significant progress in single walled carbon nanotube (SWCNT) production by plasma enhanced chemical vapor deposition (PECVD), the growth mechanism in this method is not clearly understood. We employ reactive molecular dynamics simulations to investigate how plasma-based deposition allows growth at low temperature. We first investigate the SWCNT growth mechanism at low and high temperatures under conditions similar to thermal CVD and PECVD. We then show how ion bombardment during the nucleation stage increases the carbon solubility in the catalyst at low temperature. Finally, we demonstrate how moderate energy ions sputter amorphous carbon allowing for SWCNT growth at 500 K. (C) 2013 Elsevier B. V. All rights reserved. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Amsterdam |
Editor |
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Language |
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Wos |
000327721000024 |
Publication Date |
2013-10-27 |
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Series Editor |
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Series Title |
|
Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
|
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ISSN |
0009-2614; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
1.815 |
Times cited |
14 |
Open Access |
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Notes |
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Approved |
Most recent IF: 1.815; 2013 IF: 1.991 |
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Call Number |
UA @ lucian @ c:irua:112775 |
Serial ![sorted by Serial field, ascending order (up)](img/sort_asc.gif) |
2439 |
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Permanent link to this record |
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Author |
Proost, J.; Blaffart, F.; Turner, S.; Idrissi, H. |
![find record details (via OpenURL) openurl](img/xref.gif)
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Title |
On the Origin of Damped Electrochemical Oscillations at Silicon Anodes (Revisited) |
Type |
A1 Journal article |
|
Year |
2014 |
Publication |
ChemPhysChem : a European journal of chemical physics and physical chemistry |
Abbreviated Journal |
Chemphyschem |
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Volume |
15 |
Issue |
14 |
Pages |
3116-3124 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
Electrochemical oscillations accompanying the formation of anodic silica have been shown in the past to be correlated with rather abrupt changes in the mechanical stress state of the silica film, commonly associated with some kind of fracture or porosification of the oxide. To advance the understanding on the origin of such oscillations in fluoride-free electrolytes, we have revisited a seminal experiment reported by Lehmann almost two decades ago. We thereby demonstrate that the oscillations are not stress-induced, and do not originate from a morphological transformation of the oxide in the course of anodisation. Alternatively, the mechanical features accompanying the oscillations can be explained by a partial relaxation of the field-induced electrostrictive stress. Furthermore, our observations suggest that the oscillation mechanism more likely results from a periodic depolarisation of the anodic silica. |
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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 |
|
Wos |
000342770500029 |
Publication Date |
2014-08-27 |
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Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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|
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 |
5 |
Open Access |
|
|
|
Notes |
|
Approved |
Most recent IF: 3.075; 2014 IF: 3.419 |
|
|
Call Number |
UA @ lucian @ c:irua:121086 |
Serial ![sorted by Serial field, ascending order (up)](img/sort_asc.gif) |
2444 |
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Permanent link to this record |
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Author |
Slanina, Z.; Martin, J.M.L.; François, J.P.; Gijbels, R. |
![find record details (via OpenURL) openurl](img/xref.gif)
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Title |
On the relative stabilities of the linear and triangular forms of B3N |
Type |
A1 Journal article |
|
Year |
1993 |
Publication |
Chemical physics |
Abbreviated Journal |
Chem Phys |
|
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Volume |
178 |
Issue |
|
Pages |
77-82 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Amsterdam |
Editor |
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Language |
|
Wos |
A1993MP94200006 |
Publication Date |
2002-07-25 |
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Series Editor |
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Series Title |
|
Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
0301-0104; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
1.652 |
Times cited |
9 |
Open Access |
|
|
|
Notes |
|
Approved |
CHEMISTRY, MULTIDISCIPLINARY 65/163 Q2 # CRYSTALLOGRAPHY 10/26 Q2 # |
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|
Call Number |
UA @ lucian @ c:irua:6150 |
Serial ![sorted by Serial field, ascending order (up)](img/sort_asc.gif) |
2453 |
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Permanent link to this record |
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Author |
Martin, J.M.L.; François, J.P.; Gijbels, R. |
![find record details (via OpenURL) openurl](img/xref.gif)
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Title |
On the structure, stability and infrared spectrum of B2N, B2N+, B2N-, BO, B2O and B2N2 |
Type |
A1 Journal article |
|
Year |
1992 |
Publication |
Chemical physics letters |
Abbreviated Journal |
Chem Phys Lett |
|
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Volume |
193 |
Issue |
4 |
Pages |
243-250 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Amsterdam |
Editor |
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Language |
|
Wos |
A1992HZ32800007 |
Publication Date |
2002-07-25 |
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Series Editor |
|
Series Title |
|
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 |
1.897 |
Times cited |
42 |
Open Access |
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|
|
Notes |
|
Approved |
no |
|
|
Call Number |
UA @ lucian @ c:irua:4194 |
Serial ![sorted by Serial field, ascending order (up)](img/sort_asc.gif) |
2455 |
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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. |
![find record details (via OpenURL) openurl](img/xref.gif)
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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 |
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|
Volume |
43 |
Issue |
35 |
Pages |
4562-4564 |
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Keywords |
L1 Letter to the editor; Electron microscopy for materials research (EMAT) |
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Abstract |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
|
Place of Publication |
Weinheim |
Editor |
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|
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 ![sorted by Serial field, ascending order (up)](img/sort_asc.gif) |
2457 |
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Permanent link to this record |
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Author |
Khalilov, U.; Pourtois, G.; van Duin, A.C.T.; Neyts, E.C. |
![find record details (via OpenURL) openurl](img/xref.gif)
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Title |
On the c-Si\mid a-SiO2 interface in hyperthermal Si oxidation at room temperature |
Type |
A1 Journal article |
|
Year |
2012 |
Publication |
The journal of physical chemistry: C : nanomaterials and interfaces |
Abbreviated Journal |
J Phys Chem C |
|
|
Volume |
116 |
Issue |
41 |
Pages |
21856-21863 |
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|
Keywords |
A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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|
Abstract |
The exact structure and properties of the Si vertical bar SiO2 interface are very important in microelectronics and photovoltaic devices such as metal-oxide-semiconductor field-effect transistors (MOSFETs) and solar cells. Whereas Si vertical bar SiO2 structures are traditionally produced by thermal oxidation, hyperthermal oxidation shows a number of promising advantages. However, the Si vertical bar SiO2 interface induced in hyperthermal Si oxidation has not been properly investigated yet. Therefore, in this work, the interface morphology and interfacial stresses during hyperthermal oxidation at room temperature are studied using reactive molecular dynamics simulations based on the ReaxFF potential. Interface thickness and roughness, as well as the bond length and bond angle distributions in the interface are discussed and compared with other models developed for the interfaces induced by traditional thermal oxidation. The formation of a compressive stress is observed. This compressive stress, which at the interface amounts about 2 GPa, significantly slows down the inward silica growth. This value is close to the experimental value in the Si vertical bar SiO2 interface obtained in traditional thermal oxidation. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Washington, D.C. |
Editor |
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Language |
|
Wos |
000309902100026 |
Publication Date |
2012-09-26 |
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Series Editor |
|
Series Title |
|
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 |
27 |
Open Access |
|
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|
Notes |
|
Approved |
Most recent IF: 4.536; 2012 IF: 4.814 |
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Call Number |
UA @ lucian @ c:irua:102167 |
Serial ![sorted by Serial field, ascending order (up)](img/sort_asc.gif) |
2458 |
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Permanent link to this record |
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Author |
Bal, K.M.; Neyts, E.C. |
![goto web page (via DOI) doi](http://nano.uantwerpen.be/nanorefs/img/doi.gif)
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Title |
On the time scale associated with Monte Carlo simulations |
Type |
A1 Journal article |
|
Year |
2014 |
Publication |
The journal of chemical physics |
Abbreviated Journal |
J Chem Phys |
|
|
Volume |
141 |
Issue |
20 |
Pages |
204104 |
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|
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
Uniform-acceptance force-bias Monte Carlo (fbMC) methods have been shown to be a powerful technique to access longer timescales in atomistic simulations allowing, for example, phase transitions and growth. Recently, a new fbMC method, the time-stamped force-bias Monte Carlo (tfMC) method, was derived with inclusion of an estimated effective timescale; this timescale, however, does not seem able to explain some of the successes the method. In this contribution, we therefore explicitly quantify the effective timescale tfMC is able to access for a variety of systems, namely a simple single-particle, one-dimensional model system, the Lennard-Jones liquid, an adatom on the Cu(100) surface, a silicon crystal with point defects and a highly defected graphene sheet, in order to gain new insights into the mechanisms by which tfMC operates. It is found that considerable boosts, up to three orders of magnitude compared to molecular dynamics, can be achieved for solid state systems by lowering of the apparent activation barrier of occurring processes, while not requiring any system-specific input or modifications of the method. We furthermore address the pitfalls of using the method as a replacement or complement of molecular dynamics simulations, its ability to explicitly describe correct dynamics and reaction mechanisms, and the association of timescales to MC simulations in general. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
New York, N.Y. |
Editor |
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Language |
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Wos |
000345641400005 |
Publication Date |
2014-11-26 |
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Series Editor |
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Series Title |
|
Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
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ISSN |
0021-9606;1089-7690; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
2.965 |
Times cited |
26 |
Open Access |
|
|
|
Notes |
|
Approved |
Most recent IF: 2.965; 2014 IF: 2.952 |
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|
Call Number |
UA @ lucian @ c:irua:120667 |
Serial ![sorted by Serial field, ascending order (up)](img/sort_asc.gif) |
2459 |
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Permanent link to this record |
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Author |
Lindner, H.; Autrique, D.; Garcia, C.C.; Niemax, K.; Bogaerts, A. |
![find record details (via OpenURL) openurl](img/xref.gif)
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Title |
Optimized transport setup for high repetition rate pulse-separated analysis in laser ablation-inductively coupled plasma mass spectrometry |
Type |
A1 Journal article |
|
Year |
2009 |
Publication |
Analytical chemistry |
Abbreviated Journal |
Anal Chem |
|
|
Volume |
81 |
Issue |
11 |
Pages |
4241-4248 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
An optimized laser ablation setup, proposed for high repetition rate inductively coupled plasma mass spectrometry (ICPMS) analyses such as 2D imaging or depth profiling, is presented. For such applications, the particle washout time needs to be as short as possible to allow high laser pulse frequencies for reduced analysis time. Therefore, it is desirable to have an ablation setup that operates as a laminar flow reactor (LFR). A top-down strategy was applied that resulted in the present design. In the first step, a previously applied ablation setup was analyzed on the basis of computational fluid dynamics (CFD) results presented by D. Autrique et al. (Spectrochim. Acta, B 2008, 63, 257−270). By means of CFD simulations, the design was modified in such a way that it operated in the LFR regime. Experimental results demonstrate that the current design can indeed be regarded as an LFR. Furthermore, the operation under LFR conditions allowed some insight into the initial radial concentration distribution if the experimental ICPMS signal and analytical expressions are taken into account. Recommendations for a modified setup for more resilient spatial distributions are given. With the present setup, a washout time of 140 ms has been achieved for a 3% signal area criterion. Therefore, 7 Hz repetition rates can be applied with the present setup. Using elementary formulas of the analytical model, an upper bound for the washout times for similar setups can be predicted. The authors believe that the presented setup geometry comes close to the achievable limit for reliable short washout times. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Washington, D.C. |
Editor |
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Language |
|
Wos |
000266601800014 |
Publication Date |
2009-04-29 |
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Series Editor |
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Series Title |
|
Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
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|
ISSN |
0003-2700;1520-6882; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
6.32 |
Times cited |
18 |
Open Access |
|
|
|
Notes |
|
Approved |
Most recent IF: 6.32; 2009 IF: 5.214 |
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|
Call Number |
UA @ lucian @ c:irua:76935 |
Serial ![sorted by Serial field, ascending order (up)](img/sort_asc.gif) |
2492 |
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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. |
![goto web page (via DOI) doi](http://nano.uantwerpen.be/nanorefs/img/doi.gif)
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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 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
London |
Editor |
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Language |
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Wos |
A1993LT32700002 |
Publication Date |
2002-10-07 |
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Series Editor |
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Series Title |
|
Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
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|
ISSN |
0022-4596; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
2.133 |
Times cited |
50 |
Open Access |
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|
|
Notes |
|
Approved |
no |
|
|
Call Number |
UA @ lucian @ c:irua:102965 |
Serial ![sorted by Serial field, ascending order (up)](img/sort_asc.gif) |
2499 |
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Permanent link to this record |
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Author |
Verberck, B.; Okazaki, T.; Tarakina, N.V. |
![find record details (via OpenURL) openurl](img/xref.gif)
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Title |
Ordered and disordered packing of coronene molecules in carbon nanotubes |
Type |
A1 Journal article |
|
Year |
2013 |
Publication |
Physical chemistry, chemical physics |
Abbreviated Journal |
Phys Chem Chem Phys |
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Volume |
15 |
Issue |
41 |
Pages |
18108-18114 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Monte Carlo simulations of coronene molecules in single-walled carbon nanotubes (SWCNTs) and dicoronylene molecules in SWCNTs are performed. Depending on the diameter D of the encapsulating SWCNT, regimes favoring the formation of ordered, one-dimensional (1D) stacks of tilted molecules (D <= 1.7 nm for coronene@SWCNT, 1.5 nm <= D <= 1.7 nm for dicoronylene@SWCNT) and regimes with disordered molecular arrangements and increased translational mobilities enabling the thermally induced polymerization of neighboring molecules resulting in the formation of graphene nanoribbons (GNRs) are observed. The results show that the diameter of the encapsulating nanotube is a crucial parameter for the controlled synthesis of either highly ordered 1D structures or GNR precursors. |
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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 |
Cambridge |
Editor |
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Language |
|
Wos |
000325400600045 |
Publication Date |
2013-09-05 |
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Series Editor |
|
Series Title |
|
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 |
9 |
Open Access |
|
|
|
Notes |
; B.V. is a Postdoctoral Fellow of the Research Foundation Flanders (FWO-VI). N.V.T. acknowledges funding by the Bavarian Ministry of Sciences, Research and the Arts. ; |
Approved |
Most recent IF: 4.123; 2013 IF: 4.198 |
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|
Call Number |
UA @ lucian @ c:irua:112212 |
Serial ![sorted by Serial field, ascending order (up)](img/sort_asc.gif) |
2502 |
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Permanent link to this record |
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Author |
Kirschhock, C.E.A.; Liang, D.; Van Tendeloo, G.; Fécant, A.; Hastoye, G.; Vanbutsele, G.; Bats, N.; Guillon, E.; Martens, J.A. |
![goto web page (via DOI) doi](http://nano.uantwerpen.be/nanorefs/img/doi.gif)
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|
Title |
Ordered end-member of ZSM-48 zeolite family |
Type |
A1 Journal article |
|
Year |
2009 |
Publication |
Chemistry of materials |
Abbreviated Journal |
Chem Mater |
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Volume |
21 |
Issue |
2 |
Pages |
371-380 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
ZSM-48 and related zeolites are considered to be highly disordered structures. Different polytypes can be clearly distinguished by simulation of high-resolution electron microscopy images. Synthesis of phase-pure polytypes was attempted. One of the investigated samples crystallized via seeding designated as COK-8 consisted of nanoscopic, needlelike crystals with a very large length/width ratio, growing along the pore direction. These specimens are phase-pure polytype 6 (PT6, numbering according to Lobo and van Koningsveld). Aggregates of these nanoneedles occasionally contained a second polytype: PT1. The latter polytype occurred more abundantly in larger crystal rods in an IZM-1 sample crystallized in ethylene glycol. Here too, the isolated crystallites mainly consist of large, defect-free regions of PT6. A simulation of polytype lattice energies offers a rational explanation for the observed polytypical intergrowth formation. |
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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 |
000262605200026 |
Publication Date |
2008-12-30 |
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Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
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|
ISSN |
0897-4756;1520-5002; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
9.466 |
Times cited |
30 |
Open Access |
|
|
|
Notes |
Fwo; Goa |
Approved |
Most recent IF: 9.466; 2009 IF: 5.368 |
|
|
Call Number |
UA @ lucian @ c:irua:76032 |
Serial ![sorted by Serial field, ascending order (up)](img/sort_asc.gif) |
2503 |
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Permanent link to this record |
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Author |
Abakumov, A.M.; Alekseeva, A.M.; Rozova, M.G.; Antipov, E.V.; Lebedev, O.I.; Van Tendeloo, G. |
![goto web page (via DOI) doi](http://nano.uantwerpen.be/nanorefs/img/doi.gif)
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Title |
Ordering of tetrahedral chains in the Sr2MnGaO5 brownmillerite |
Type |
A1 Journal article |
|
Year |
2003 |
Publication |
Journal of solid state chemistry |
Abbreviated Journal |
J Solid State Chem |
|
|
Volume |
174 |
Issue |
2 |
Pages |
319-328 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
Tetrahedral chain ordering in the Sr2MnGaO5 structure is studied using electron diffraction (ED) and high-resolution electron microscopy. The ED patterns show the presence of satellite reflections, which indicate a commensurately modulated structure with a = 5.4056(8) Angstrom b 16.171(3) Angstrom, c = 5.5592(7) Angstrom, q – 1/2c*, superspace group Immma(00gamma,)s00. The Superstructure arises due to ordering of the two types of symmetry related tetrahedral chains (L and R) according to a ... LRLR ... sequence, where L and R chains alternate along the c-axis within the same (GaO) layer. Numerous defects at different structural levels were observed, comprising interleaving L and R chains, violation of the ... LRLR ... chain sequence within one layer, different stacking modes of the ... LRLR ... ordered layers with subsequent alternation of blocks of different width along the h-axis of the brownmillerite subcell and island fragmentation of the modulated superstructure. By in situ heating ED experiments it is found that the long-range ordering of the tetrahedral chains is stable tip to 665degreesC and is completely suppressed at 905degreesC. (C) 2003 Elsevier Inc. All rights reserved. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
|
Place of Publication |
London |
Editor |
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Language |
|
Wos |
000185180500011 |
Publication Date |
2003-07-22 |
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Series Editor |
|
Series Title |
|
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 |
34 |
Open Access |
|
|
|
Notes |
|
Approved |
Most recent IF: 2.299; 2003 IF: 1.413 |
|
|
Call Number |
UA @ lucian @ c:irua:94846 |
Serial ![sorted by Serial field, ascending order (up)](img/sort_asc.gif) |
2506 |
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Permanent link to this record |
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Author |
Panin, R.V.; Khasanova, N.R.; Bougerol, C.; Schnelle, W.; Van Tendeloo, G.; Antipov, E.V. |
![goto web page (via DOI) doi](http://nano.uantwerpen.be/nanorefs/img/doi.gif)
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Title |
Ordering of Pd2+ and Pd4+ in the mixed-valent palladate KPd2O3 |
Type |
A1 Journal article |
|
Year |
2010 |
Publication |
Inorganic chemistry |
Abbreviated Journal |
Inorg Chem |
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Volume |
49 |
Issue |
4 |
Pages |
1295-1297 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
A new potassium palladate KPd2O3 was synthesized by the reaction of KO2 and PdO at elevated oxygen pressure. Its crystal structure was solved from powder X-ray diffraction data in the space group Rm (a = 6.0730(1) Å, c = 18.7770(7) Å, and Z = 6). KPd2O3 represents a new structure type, consisting of an alternating sequence of K+ and Pd2O3− layers with ordered Pd2+ and Pd4+ ions. The presence of palladium ions in di- and tetravalent low-spin states was confirmed by magnetic susceptibility measurements. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
|
Place of Publication |
Easton, Pa |
Editor |
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Language |
|
Wos |
000274240700009 |
Publication Date |
2010-01-12 |
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Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
0020-1669;1520-510X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
4.857 |
Times cited |
9 |
Open Access |
|
|
|
Notes |
Iap Iv |
Approved |
Most recent IF: 4.857; 2010 IF: 4.326 |
|
|
Call Number |
UA @ lucian @ c:irua:80990 |
Serial ![sorted by Serial field, ascending order (up)](img/sort_asc.gif) |
2507 |
|
Permanent link to this record |
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Author |
Van Tendeloo, G.; Hervieu, M.; Zhang, X.F.; Raveau, B. |
![goto web page (via DOI) doi](http://nano.uantwerpen.be/nanorefs/img/doi.gif)
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|
Title |
Ordering principles and defect structure of “1201”, “1212”, and “1222” type (Hg,Pr)-Sr-(Sr,Ca,Pr)-Cu-O superconductors |
Type |
A1 Journal article |
|
Year |
1995 |
Publication |
Journal of solid state chemistry |
Abbreviated Journal |
J Solid State Chem |
|
|
Volume |
114 |
Issue |
2 |
Pages |
369-378 |
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|
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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|
Abstract |
The new families of superconducting compounds ''1201'' (Hg0.4Pr0.6Sr2CuO4+delta), ''1212'' (Hg0.4Pr0.6Sr2(Ca1-x-ySrxPry) Cu2O6+delta), and ''1222'' (Hg0.4Pr0.6Sr2(Pr1.7Sr0.3)(2)Cu2O8+delta) all show ordering between praseodymium and mercury in the (Hg,Pr)O-delta plane, reducing the symmetry from tetragonal to orthorhombic or even to monoclinic. In the 1201 compound the ordered superstructure can be described as O-I (a(I) approximate to 2a(p), b(I), approximate to a(p), c(I) approximate to c(1201)). In the 1212 compound two distinct superstructures are identified, O-I (a(I) approximate to 2a(p), b(II) approximate to a(p), c(I) approximate to c(1212)) and O-II (a(II) approximate to 2a(p), b(II) approximate to a(p), c(II) approximate to 2c(1212)). In some compounds, such as Hg0.4Pr0.6Sr2(Ca0.4Sr0.4Pr0.2) Cu2O6+delta, the Hg-Pr ordering is only present in microdomains, but due to an ordering between Sr layers and Ca layers, the c-axis doubles and one obtains a tetragonal superstructure T-III (a(III) approximate to a(p), c(III) approximate to 2c(1212)). In the 1222 compound, ordering in the (Pr,Hg)O-delta plane is very defective; a large number of translation defects actually reduce the symmetry to triclinic. (C) 1995 Academic Press, Inc. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
|
Place of Publication |
London |
Editor |
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|
Language |
|
Wos |
A1995QH33100011 |
Publication Date |
2002-10-07 |
|
|
Series Editor |
|
Series Title |
|
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 |
11 |
Open Access |
|
|
|
Notes |
|
Approved |
no |
|
|
Call Number |
UA @ lucian @ c:irua:13308 |
Serial ![sorted by Serial field, ascending order (up)](img/sort_asc.gif) |
2508 |
|
Permanent link to this record |
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|
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Author |
Verberck, B.; Vliegenthart, G.A.; Gompper, G. |
![find record details (via OpenURL) openurl](img/xref.gif)
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|
Title |
Orientational ordering in solid C60 fullerene-cubane |
Type |
A1 Journal article |
|
Year |
2009 |
Publication |
The journal of chemical physics |
Abbreviated Journal |
J Chem Phys |
|
|
Volume |
130 |
Issue |
15 |
Pages |
154510,1-154510,14 |
|
|
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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|
Abstract |
We study the structure and phase behavior of fullerene-cubane C60·C8H8 by Monte Carlo simulation. Using a simple potential model capturing the icosahedral and cubic symmetries of its molecular constituents, we reproduce the experimentally observed phase transition from a cubic to an orthorhombic crystal lattice and the accompanying rotational freezing of the C60 molecules. We elaborate a scheme to identify the low-temperature orientations of individual molecules and to detect a pattern of orientational ordering similar to the arrangement of C60 molecules in solid C60. Our configuration of orientations supports a doubled periodicity along one of the crystal axes. |
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Address |
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Corporate Author |
|
Thesis |
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Publisher |
|
Place of Publication |
New York, N.Y. |
Editor |
|
|
|
Language |
|
Wos |
000265486300036 |
Publication Date |
2009-04-22 |
|
|
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 |
8 |
Open Access |
|
|
|
Notes |
|
Approved |
Most recent IF: 2.965; 2009 IF: 3.093 |
|
|
Call Number |
UA @ lucian @ c:irua:77258 |
Serial ![sorted by Serial field, ascending order (up)](img/sort_asc.gif) |
2519 |
|
Permanent link to this record |
|
|
|
|
Author |
Amini, M.N.; Dixit, H.; Saniz, R.; Lamoen, D.; Partoens, B. |
![goto web page (via DOI) doi](http://nano.uantwerpen.be/nanorefs/img/doi.gif)
|
|
Title |
The origin of p-type conductivity in ZnM2O4 (M = Co, Rh, Ir) spinels |
Type |
A1 Journal article |
|
Year |
2014 |
Publication |
Physical chemistry, chemical physics |
Abbreviated Journal |
Phys Chem Chem Phys |
|
|
Volume |
16 |
Issue |
6 |
Pages |
2588-2596 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT) |
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Abstract |
ZnM2O4 (M = Co, Rh, Ir) spinels are considered as a class of potential p-type transparent conducting oxides (TCOs). We report the formation energy of acceptor-like defects using first principles calculations with an advanced hybrid exchange-correlation functional (HSE06) within density functional theory (DFT). Due to the discrepancies between the theoretically obtained band gaps with this hybrid functional and the – scattered – experimental results, we also perform GW calculations to support the validity of the description of these spinels with the HSE06 functional. The considered defects are the cation vacancy and antisite defects, which are supposed to be the leading source of disorder in the spinel structures. We also discuss the band alignments in these spinels. The calculated formation energies indicate that the antisite defects ZnM (Zn replacing M, M = Co, Rh, Ir) and VZn act as shallow acceptors in ZnCo2O4, ZnRh2O4 and ZnIr2O4, which explains the experimentally observed p-type conductivity in those systems. Moreover, our systematic study indicates that the ZnIr antisite defect has the lowest formation energy in the group and it corroborates the highest p-type conductivity reported for ZnIr2O4 among the group of ZnM2O4 spinels. To gain further insight into factors affecting the p-type conductivity, we have also investigated the formation of localized small polarons by calculating the self-trapping energy of the holes. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Cambridge |
Editor |
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Language |
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Wos |
000329926700040 |
Publication Date |
2013-12-03 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1463-9076;1463-9084; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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|
Impact Factor |
4.123 |
Times cited |
47 |
Open Access |
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|
Notes |
Fwo; Goa; Hercules |
Approved |
Most recent IF: 4.123; 2014 IF: 4.493 |
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Call Number |
UA @ lucian @ c:irua:114829 |
Serial ![sorted by Serial field, ascending order (up)](img/sort_asc.gif) |
2525 |
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Permanent link to this record |
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Author |
Abakumov, A.M.; Hadermann, J.; Tsirlin, A.A.; Tan, H.; Verbeeck, J.; Zhang, H.; Dikarev, E.V.; Shpanchenko, R.V.; Antipov, E.V. |
![find record details (via OpenURL) openurl](img/xref.gif)
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Title |
Original close-packed structure and magnetic properties of the Pb4Mn9O20 manganite |
Type |
A1 Journal article |
|
Year |
2009 |
Publication |
Journal of solid state chemistry |
Abbreviated Journal |
J Solid State Chem |
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|
Volume |
182 |
Issue |
8 |
Pages |
2231-2238 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
The crystal structure of the Pb4Mn9O20 compound (previously known as Pb0.43MnO2.18) was solved from powder X-ray diffraction, electron diffraction, and high resolution electron microscopy data (S.G. Pnma, a=13.8888(2) Å, b=11.2665(2) Å, c=9.9867(1) Å, RI=0.016, RP=0.047). The structure is based on a 6H (cch)2 close packing of pure oxygen h-type (O16) layers alternating with mixed c-type (Pb4O12) layers. The Mn atoms occupy octahedral interstices formed by the oxygen atoms of the close-packed layers. The MnO6 octahedra share edges within the layers, whereas the octahedra in neighboring layers are linked through corner sharing. The relationship with the closely related Pb3Mn7O15 structure is discussed. Magnetization measurements reveal a peculiar magnetic behavior with a phase transition at 52 K, a small net magnetization below the transition temperature, and a tendency towards spin freezing. |
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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 |
000269066400035 |
Publication Date |
2009-06-12 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
|
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ISSN |
0022-4596; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.299 |
Times cited |
5 |
Open Access |
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|
Notes |
The authors are grateful to Christoph Geibel for the help in magnetization measurements. A.Ts. acknowledges MPI CKS for hospitality and financial support during the stay. E.D. thanks the National Science Foundation (CHE-0718900) for financial support. This work was supported by the Russian Foundation of Basic Research (RFBR Grants 07-03-00664-a, 06-03-90168-a and 07-03-00890-a). The authors acknowledge financial support from the European Union under the Framework 6 program under a contract for an Integrated Infrastructure Initiative. Reference 026019 ESTEEM. |
Approved |
Most recent IF: 2.299; 2009 IF: 2.340 |
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Call Number |
UA @ lucian @ c:irua:78935UA @ admin @ c:irua:78935 |
Serial ![sorted by Serial field, ascending order (up)](img/sort_asc.gif) |
2529 |
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Permanent link to this record |
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Author |
Frolov, D.D.; Kotovshchikov, Y.N.; Morozov, I.V.; Boltalin, A.I.; Fedorova, A.A.; Marikutsa, A.V.; Rumyantseva, M.N.; Gaskov, A.M.; Sadovskaya, E.M.; Abakumov, A.M. |
![goto web page (via DOI) doi](http://nano.uantwerpen.be/nanorefs/img/doi.gif)
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Title |
Oxygen exchange on nanocrystalline tin dioxide modified by palladium |
Type |
A1 Journal article |
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Year |
2012 |
Publication |
Journal of solid state chemistry |
Abbreviated Journal |
J Solid State Chem |
|
|
Volume |
186 |
Issue |
|
Pages |
1-8 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
Temperature-programmed oxygen isotopic exchange study was performed on nanocrystalline tin dioxide-based materials synthesized via sol-gel route and modified by palladium. Such materials are widely used as resistive gas sensors. The experiments were carried out in a flow-reactor up to complete isotopic substitution of oxygen. Substantial rates of isotopic exchange for SnO2 were observed from about 700 K. The distribution of isotopic molecules O-16(2). (OO)-O-16-O-18 and O-18(2) corresponds to simple dioxygen heteroexchange mechanism with single lattice oxygen atom. The modification of SnO2 by Pd introduced multiple heteroexchange mechanism with preliminary O-2 dissociation on the clusters surface. Spill-over of atomic oxygen from Pd to the surface of SnO2 and fast exchange with lattice oxygen result in more than 100% increase of apparent heteroexchange rate. The exchange on SnO2/Pd was shown to be a complex process involving partial deactivation of the catalytic centers at temperature higher than 750 K. (C) 2011 Elsevier Inc. All rights reserved. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
London |
Editor |
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Language |
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Wos |
000299801400001 |
Publication Date |
2011-12-08 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0022-4596; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.299 |
Times cited |
34 |
Open Access |
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Notes |
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Approved |
Most recent IF: 2.299; 2012 IF: 2.040 |
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Call Number |
UA @ lucian @ c:irua:96202 |
Serial ![sorted by Serial field, ascending order (up)](img/sort_asc.gif) |
2546 |
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Permanent link to this record |
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Author |
Gillie, L.J.; Hadermann, J.; Hervieu, M.; Maignan, A.; Martin, C. |
![find record details (via OpenURL) openurl](img/xref.gif)
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Title |
Oxygen vacancy ordering in the double-layered Ruddlesden-Popper cobaltite Sm2BaCo2O7-\delta |
Type |
A1 Journal article |
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Year |
2008 |
Publication |
Chemistry of materials |
Abbreviated Journal |
Chem Mater |
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Volume |
20 |
Issue |
19 |
Pages |
6231-6237 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
A new oxygen-deficient Ruddlesden−Popper (RP) cobaltite Sm2BaCo2O7−δ (δ ≈ 1.0) has been synthesized and the crystal structure elucidated by Rietveld analysis of X-ray powder diffraction (XRD) data and transmission electron microscopy (TEM). The phase crystallizes in a primitive orthorhombic unit cell, with lattice parameters a = 5.4371(4) Å; b = 5.4405(4) Å and c = 19.8629(6) Å, and space group Pnnm. Contrary to other oxygen-deficient cobalt RP phases, the oxygen vacancies are located in the equatorial positions of the [CoO] layers to give an intralayer structure similar to Sr2Mn2O5, which is not usually observed for cobalt-containing materials. The Sm3+ and Ba2+ cations show a strong preference for distinct sites, with the majority of the larger Ba2+ cations situated in the perovskite block layers and Sm3+ cations predominantly in the rock salt layers. Magnetic susceptibility data demonstrate the strong antiferromagnetic (AFM) character of Sm2BaCo2O7−δ. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Washington, D.C. |
Editor |
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Language |
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Wos |
000259871500038 |
Publication Date |
2008-09-13 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0897-4756;1520-5002; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
9.466 |
Times cited |
7 |
Open Access |
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Notes |
|
Approved |
Most recent IF: 9.466; 2008 IF: 5.046 |
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Call Number |
UA @ lucian @ c:irua:72946 |
Serial ![sorted by Serial field, ascending order (up)](img/sort_asc.gif) |
2548 |
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Permanent link to this record |
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Author |
De Schouwer, F.; Claes, L.; Claes, N.; Bals, S.; Degrève, J.; De Vos, D.E. |
![goto web page url](http://nano.uantwerpen.be/nanorefs/img/www.gif)
![find record details (via OpenURL) openurl](img/xref.gif)
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Title |
Pd-catalyzed decarboxylation of glutamic acid and pyroglutamic acid to bio-based 2-pyrrolidone |
Type |
A1 Journal article |
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Year |
2015 |
Publication |
Green chemistry : cutting-edge research for a greener sustainable future |
Abbreviated Journal |
Green Chem |
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Volume |
17 |
Issue |
17 |
Pages |
2263-2270 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
In order to recycle nitrogen from nitrogen-rich waste streams, particularly protein waste, we studied the decarboxylation of pyroglutamic acid and glutamic acid in a one-pot reaction to bio-based 2-pyrrolidone. After the screening of a wide range of supported Pd and Pt catalysts, 5 wt% Pd/Al2O3 displayed the highest yield (70%) and selectivity (81%) for the decarboxylation of pyroglutamic acid in water at 250 °C and under an inert atmosphere. Side products originate from consecutive reactions of 2-pyrrolidone; different reaction pathways are proposed to explain the presence of degradation products like propionic acid, γ-hydroxybutyric acid, γ-butyrolactone and methylamine. An extensive study of the reaction parameters was performed to check their influence on selectivity and conversion. This heterogeneous catalytic system was successfully extended to the conversion of glutamic acid. |
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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 |
000352724200027 |
Publication Date |
2015-02-17 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1463-9262;1463-9270; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
9.125 |
Times cited |
47 |
Open Access |
OpenAccess |
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|
Notes |
335078 Colouratom; ECAS_Sara; (ROMEO:yellow; preprint:; postprint:restricted ; pdfversion:cannot); |
Approved |
Most recent IF: 9.125; 2015 IF: 8.020 |
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Call Number |
c:irua:125378 |
Serial ![sorted by Serial field, ascending order (up)](img/sort_asc.gif) |
2564 |
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Permanent link to this record |
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Author |
Esken, D.; Zhang, X.; Lebedev, O.I.; Schröder, F.; Fischer, R.A. |
![find record details (via OpenURL) openurl](img/xref.gif)
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Title |
Pd@MOF-5: limitations of gas-phase infiltration and solution impregnation of [Zn4O(bdc)3] (MOF-5) with metalorganic palladium precursors for loading with Pd nanoparticles |
Type |
A1 Journal article |
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Year |
2009 |
Publication |
Journal of materials chemistry |
Abbreviated Journal |
J Mater Chem |
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Volume |
19 |
Issue |
9 |
Pages |
1314-1319 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
The limitations of the loading of the porous metalorganic framework [Zn4O(bdc)3] (bdc = benzene-1,4-dicarboxylate; MOF-5 or IRMOF-1) with Pd nanoparticles was investigated. First, the volatile organometallic precursor [Pd(5-C5H5)(3-C3H5)] was employed to get the inclusion compound [Pd(5-C5H5)(3-C3H5)]x@MOF-5 via gas-phase infiltration at 10-3 mbar. A loading of four molecules of [Pd(5-C5H5)(3-C3H5)] per formula unit of MOF-5 (x = 4) can be reached (35 wt.% Pd). Second, the metalorganic precursor [Pd(acac)2] (acac = 2,4-pentanedionate) was used and the inclusion materials [Pd(acac)2]x@MOF-5 of different Pd loadings were obtained by incipient wetness infiltration. However, the maximum loading was lower as compared with the former case with about two precursor molecules per formula unit of MOF-5. Both loading routes are suitable for the synthesis of Pd nanoparticles inside the porous host matrix. Homogeneously distributed nanoparticles with diameter of 2.4(±0.2) nm can be achieved by photolysis of the inclusion compounds [Pd(5-C5H5)(3-C3H5)]x@MOF-5 (x 4), while the hydrogenolysis of [Pd(acac)2]x@MOF-5 (x 2) leads to a mixture of small particles inside the network (< 3 nm) and large Pd agglomerates (40 nm) on the outer surface of the MOF-5 specimens. The pure Pdx@MOF-5 materials proved to be stable under hydrogen pressure (2 bar) at 150 °C over many hours. Neither hydrogenation of the bdc linkers nor particle growth was observed. The new composite materials were characterized by 1H/13C-MAS-NMR, powder XRD, ICP-AES, FT-IR, N2 sorption measurements and high resolution TEM. Raising the Pd loading of a representative sample Pd4@MOF-5 (35 wt.% Pd) by using [Pd(5-C5H5)(3-C3H5)] as precursor in a second cycle of gas-phase infiltration and photolysis was accompanied by the collapse of the long-range crystalline order of the MOF. |
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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 |
Cambridge |
Editor |
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Language |
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Wos |
000263450300015 |
Publication Date |
2009-01-22 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0959-9428;1364-5501; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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|
Impact Factor |
|
Times cited |
100 |
Open Access |
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Notes |
|
Approved |
Most recent IF: NA |
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Call Number |
UA @ lucian @ c:irua:76318 |
Serial ![sorted by Serial field, ascending order (up)](img/sort_asc.gif) |
2565 |
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Permanent link to this record |
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Author |
Ovsyannikov, S.V.; Abakumov, A.M.; Tsirlin, A.A.; Schnelle, W.; Egoavil, R.; Verbeeck, J.; Van Tendeloo, G.; Glazyrin, K.V.; Hanfland, M.; Dubrovinsky, L. |
![goto web page (via DOI) doi](http://nano.uantwerpen.be/nanorefs/img/doi.gif)
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Title |
Perovskite-like Mn2O3 : a path to new manganites |
Type |
A1 Journal article |
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Year |
2013 |
Publication |
Angewandte Chemie |
Abbreviated Journal |
Angew Chem Int Edit |
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Volume |
52 |
Issue |
5 |
Pages |
1494-1498 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
Korund-artiges ε-Mn2O3 und Perowskit-artiges ζ-Mn2O3, zwei neue Phasen von Mn2O3, wurden unter hohen Drücken bei hohen Temperaturen synthetisiert. Die Manganatome können vollständig die A- und B-Positionen der Perowskitstruktur besetzen. ζ-Mn2O3 (siehe Bild, A-Positionsordnung) enthält Mn in den drei Oxidationsstufen +II, +III und +IV. |
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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 |
000313913300027 |
Publication Date |
2012-12-22 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1433-7851; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
11.994 |
Times cited |
84 |
Open Access |
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Notes |
This work was supported by the DFG (project OV-110/1-1), Alexander von Humboldt foundation, European Union Council (FP7)-Grant no. 246102 IFOX, European Research Council (FP7)-ERC Starting Grant no. 278510 VORTEX and ERC Grant no. 246791-COUNTATOMS, and Hercules fund from the Flemish Government. ECASJO_; |
Approved |
Most recent IF: 11.994; 2013 IF: 11.336 |
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Call Number |
UA @ lucian @ c:irua:108765UA @ admin @ c:irua:108765 |
Serial ![sorted by Serial field, ascending order (up)](img/sort_asc.gif) |
2573 |
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Permanent link to this record |
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Author |
Abakumov, A.M.; Rossell, M.D.; Alekseeva, A.M.; Vassiliev, S.Y.; Mudrezova, S.N.; Van Tendeloo, G.; Antipov, E.V. |
![goto web page (via DOI) doi](http://nano.uantwerpen.be/nanorefs/img/doi.gif)
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Title |
Phase transitions in K3AlF6 |
Type |
A1 Journal article |
|
Year |
2006 |
Publication |
Journal of solid state chemistry |
Abbreviated Journal |
J Solid State Chem |
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Volume |
179 |
Issue |
2 |
Pages |
421-428 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
London |
Editor |
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Language |
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Wos |
000235282400011 |
Publication Date |
2005-12-06 |
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Series Editor |
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Series Title |
|
Abbreviated Series Title |
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Series Volume |
|
Series Issue |
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Edition |
|
|
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ISSN |
0022-4596; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
2.299 |
Times cited |
18 |
Open Access |
|
|
|
Notes |
|
Approved |
Most recent IF: 2.299; 2006 IF: 2.107 |
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Call Number |
UA @ lucian @ c:irua:56561 |
Serial ![sorted by Serial field, ascending order (up)](img/sort_asc.gif) |
2597 |
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Permanent link to this record |