|
Records |
Links |
|
Author |
Ghosh, S.; Gaspari, R.; Bertoni, G.; Spadaro, M.C.; Prato, M.; Turner, S.; Cavalli, A.; Manna, L.; Brescia, R. |
|
|
Title |
Pyramid-Shaped Wurtzite CdSe Nanocrystals with Inverted Polarity |
Type |
A1 Journal article |
|
Year |
2015 |
Publication |
ACS nano |
Abbreviated Journal |
Acs Nano |
|
|
Volume |
9 |
Issue |
9 |
Pages |
8537-8546 |
|
|
Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
|
|
Abstract |
We report on pyramid-shaped wurtzite cadmium selenide (CdSe) nanocrystals (NCs), synthesized by hot injection in the presence of chloride ions as shape-directing agents, exhibiting reversed crystal polarity compared to former reports. Advanced transmission electron microscopy (TEM) techniques (image-corrected high-resolution TEM with exit wave reconstruction and probe-corrected high-angle annular dark field-scanning TEM) unequivocally indicate that the triangular base of the pyramids is the polar (0001) facet and their apex points toward the [0001] direction. Density functional theory calculations, based on a simple model of binding of Cl(-) ions to surface Cd atoms, support the experimentally evident higher thermodynamic stability of the (0001) facet over the (0001) one conferred by Cl(-) ions. The relative stability of the two polar facets of wurtzite CdSe is reversed compared to previous experimental and computational studies on Cd chalcogenide NCs, in which no Cl-based chemicals were deliberately used in the synthesis or no Cl(-) ions were considered in the binding models. Self-assembly of these pyramids in a peculiar clover-like geometry, triggered by the addition of oleic acid, suggests that the basal (polar) facet has a density and perhaps type of ligands significantly different from the other three facets, since the pyramids interact with each other exclusively via their lateral facets. A superstructure, however with no long-range order, is observed for clovers with their (0001) facets roughly facing each other. The CdSe pyramids were also exploited as seeds for CdS pods growth, and the peculiar shape of the derived branched nanostructures clearly arises from the inverted polarity of the seeds. |
|
|
Address |
Department of Nanochemistry, Istituto Italiano di Tecnologia (IIT) , via Morego 30, I-16163 Genova, Italy |
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
|
Place of Publication |
|
Editor |
|
|
|
Language |
English |
Wos |
000360323300085 |
Publication Date |
2015-07-23 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
1936-0851;1936-086X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
13.942 |
Times cited |
16 |
Open Access |
|
|
|
Notes |
PMID:26203791 |
Approved |
Most recent IF: 13.942; 2015 IF: 12.881 |
|
|
Call Number |
c:irua:127807 |
Serial |
3956 |
|
Permanent link to this record |
|
|
|
|
Author |
Georgieva, V.; Todorov, I.T.; Bogaerts, A. |
|
|
Title |
Molecular dynamics simulation of oxide thin film growth: importance of the inter-atomic interaction potential |
Type |
A1 Journal article |
|
Year |
2010 |
Publication |
Chemical physics letters |
Abbreviated Journal |
Chem Phys Lett |
|
|
Volume |
485 |
Issue |
4/6 |
Pages |
315-319 |
|
|
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
|
|
Abstract |
A molecular dynamics (MD) study of MgxAlyOz thin films grown by magnetron sputtering is presented using an ionic model and comparing two potential sets with formal and partial charges. The applicability of the model and the reliability of the potential sets for the simulation of thin film growth are discussed. The formal charge potential set was found to reproduce the thin film structure in close agreement with the structure of the experimentally grown thin films. Graphical abstract A molecular dynamics study of growth of MgxAlyOz thin films is presented using an ionic model and comparing two potential sets with formal and partial charges. The simulation results with the formal charge potential set showed a transition in the film from a crystalline to an amorphous structure, when the Mg metal content decreases below 50% in very close agreement with the structure of the experimentally deposited films. |
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
|
Place of Publication |
Amsterdam |
Editor |
|
|
|
Language |
|
Wos |
000273782600010 |
Publication Date |
2010-01-05 |
|
|
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 |
16 |
Open Access |
|
|
|
Notes |
|
Approved |
Most recent IF: 1.815; 2010 IF: 2.282 |
|
|
Call Number |
UA @ lucian @ c:irua:80023 |
Serial |
2170 |
|
Permanent link to this record |
|
|
|
|
Author |
Galván Moya, J.E.; Peeters, F.M. |
|
|
Title |
Ginzburg-Landau theory of the zigzag transition in quasi-one-dimensional classical Wigner crystals |
Type |
A1 Journal article |
|
Year |
2011 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
|
|
Volume |
84 |
Issue |
13 |
Pages |
134106,1-134106,10 |
|
|
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
|
Abstract |
We present a mean-field description of the zigzag phase transition of a quasi-one-dimensional system of strongly interacting particles, with interaction potential r−ne−r/λ, that are confined by a power-law potential (yα). The parameters of the resulting one-dimensional Ginzburg-Landau theory are determined analytically for different values of α and n. Close to the transition point for the zigzag phase transition, the scaling behavior of the order parameter is determined. For α=2, the zigzag transition from a single to a double chain is of second order, while for α>2, the one-chain configuration is always unstable and, for α<2, the one-chain ordered state becomes unstable at a certain critical density, resulting in jumps of single particles out of the chain. |
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
|
Place of Publication |
|
Editor |
|
|
|
Language |
|
Wos |
000296289500004 |
Publication Date |
2011-10-18 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
3.836 |
Times cited |
16 |
Open Access |
|
|
|
Notes |
; This work was supported by the Flemish Science Foundation (FWO-Vl). ; |
Approved |
Most recent IF: 3.836; 2011 IF: 3.691 |
|
|
Call Number |
UA @ lucian @ c:irua:93583 |
Serial |
1345 |
|
Permanent link to this record |
|
|
|
|
Author |
Fredrickx, P.; Helary, D.; Schryvers, D.; Darque-Ceretti, E. |
|
|
Title |
A TEM study of nanoparticles in lustre glazes |
Type |
A1 Journal article |
|
Year |
2004 |
Publication |
Applied physics A : materials science & processing |
Abbreviated Journal |
Appl Phys A-Mater |
|
|
Volume |
79 |
Issue |
|
Pages |
283-288 |
|
|
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
|
|
Abstract |
|
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
|
Place of Publication |
Heidelberg |
Editor |
|
|
|
Language |
|
Wos |
000222008800021 |
Publication Date |
2004-05-11 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
0947-8396;1432-0630; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
1.455 |
Times cited |
16 |
Open Access |
|
|
|
Notes |
|
Approved |
Most recent IF: 1.455; 2004 IF: 1.452 |
|
|
Call Number |
UA @ lucian @ c:irua:48780 |
Serial |
3489 |
|
Permanent link to this record |
|
|
|
|
Author |
Frangis, N.; van Landuyt, J.; Lartiprete, R.; Martelli, S.; Borsella, E.; Chiussi, S.; Castro, J.; Leon, B. |
|
|
Title |
High resolution electron microscopy and X-ray photoelectron spectroscopy studies of heteroepitaxial SixGe1-x alloys produced through laser induced processing |
Type |
A1 Journal article |
|
Year |
1998 |
Publication |
Applied physics letters |
Abbreviated Journal |
Appl Phys Lett |
|
|
Volume |
72 |
Issue |
22 |
Pages |
2877-2879 |
|
|
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
|
|
Abstract |
|
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
|
|
|
Language |
|
Wos |
000075273700034 |
Publication Date |
2002-07-26 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
0003-6951; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
3.411 |
Times cited |
16 |
Open Access |
|
|
|
Notes |
|
Approved |
Most recent IF: 3.411; 1998 IF: 3.349 |
|
|
Call Number |
UA @ lucian @ c:irua:29684 |
Serial |
1447 |
|
Permanent link to this record |
|
|
|
|
Author |
Fix, T.; Ulhaq-Bouillet, C.; Colis, S.; Dinia, A.; Bertoni, G.; Verbeeck, J.; Van Tendeloo, G. |
|
|
Title |
Nanoscale analysis of interfaces in a metal/oxide/oxide trilayer obtained by pulsed laser deposition |
Type |
A1 Journal article |
|
Year |
2007 |
Publication |
Applied physics letters |
Abbreviated Journal |
Appl Phys Lett |
|
|
Volume |
91 |
Issue |
2 |
Pages |
023106-023106,3 |
|
|
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
|
|
Abstract |
Sr2FeMoO6/SrTiO3/CoFe2 trilayers grown by pulsed laser deposition on SrTiO3 (001) are investigated by transmission electron microscopy and electron energy loss spectroscopy. The stack is epitaxial, independent of whether the CoFe2 electrode is grown at 500 or at 50 degrees C. Thus it is possible to obtain epitaxy near room temperature. The SrTiO3/CoFe2 interface is quite sharp, while the Sr2FeMoO6/SrTiO3 interface presents regions of Fe depletion. The chemical composition of the films is close to the nominal stoichiometries. These results could be useful for the growth of heteroepitaxial devices and magnetic tunnel junctions. (C) 2007 American Institute of Physics. |
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
|
|
|
Language |
|
Wos |
000248017300079 |
Publication Date |
2007-07-10 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
0003-6951; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
3.411 |
Times cited |
16 |
Open Access |
|
|
|
Notes |
|
Approved |
Most recent IF: 3.411; 2007 IF: 3.596 |
|
|
Call Number |
UA @ lucian @ c:irua:94653UA @ admin @ c:irua:94653 |
Serial |
2263 |
|
Permanent link to this record |
|
|
|
|
Author |
de Witte, H.; Vandervorst, W.; Gijbels, R. |
|
|
Title |
Modeling of bombardment induced oxidation of silicon |
Type |
A1 Journal article |
|
Year |
2001 |
Publication |
Journal of applied physics |
Abbreviated Journal |
J Appl Phys |
|
|
Volume |
89 |
Issue |
5 |
Pages |
3001-3011 |
|
|
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
|
|
Abstract |
|
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
|
|
|
Language |
|
Wos |
000167133000077 |
Publication Date |
2002-07-26 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
0021-8979; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
2.068 |
Times cited |
16 |
Open Access |
|
|
|
Notes |
|
Approved |
Most recent IF: 2.068; 2001 IF: 2.128 |
|
|
Call Number |
UA @ lucian @ c:irua:37253 |
Serial |
2119 |
|
Permanent link to this record |
|
|
|
|
Author |
De Bie, C.; van Dijk, J.; Bogaerts, A. |
|
|
Title |
CO2Hydrogenation in a Dielectric Barrier Discharge Plasma Revealed |
Type |
A1 Journal article |
|
Year |
2016 |
Publication |
The journal of physical chemistry: C : nanomaterials and interfaces |
Abbreviated Journal |
J Phys Chem C |
|
|
Volume |
120 |
Issue |
120 |
Pages |
25210-25224 |
|
|
Keywords |
A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
|
|
Abstract |
The hydrogenation of carbon dioxide in a dielectric barrier discharge plasma is studied with a one-dimensional fluid model. The spatially averaged densities of the most important end products formed in the CO2/H2 mixture are determined as a function of the initial gas mixing ratio. CO and H2O are found to be present at the highest densities and to a lower content also CH4, C2H6, CH2O, CH3OH, O2, and some other higher hydrocarbons and oxygenates. The main underlying reaction
pathways for the conversion of the inlet gases and the formation of CO, CH4, CH2O, and CH3OH are pointed out for various gas mixing ratios. The CO2 conversion and the production of value added products is found to be quite low, also in comparison to a CO2/CH4 mixture, and this can be explained by the model. |
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
|
Place of Publication |
|
Editor |
|
|
|
Language |
|
Wos |
000387737900007 |
Publication Date |
2016-11-10 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
1932-7447 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
4.536 |
Times cited |
16 |
Open Access |
|
|
|
Notes |
Federaal Wetenschapsbeleid; Fonds Wetenschappelijk Onderzoek; |
Approved |
Most recent IF: 4.536 |
|
|
Call Number |
PLASMANT @ plasmant @ c:irua:140082 c:irua:139167 |
Serial |
4414 |
|
Permanent link to this record |
|
|
|
|
Author |
de Backer, J.W.; Vos, W.G.; Burnell, P.; Verhulst, S.L.; Salmon, P.; de Clerck, N.; de Backer, W. |
|
|
Title |
Study of the variability in upper and lower airway morphology in Sprague-Dawley rats using modern micro-CT scan-based segmentation techniques |
Type |
A1 Journal article |
|
Year |
2009 |
Publication |
The anatomical record: advances in integrative anatomy and evolutionary biology |
Abbreviated Journal |
Anat Rec |
|
|
Volume |
292 |
Issue |
5 |
Pages |
720-727 |
|
|
Keywords |
A1 Journal article; Condensed Matter Theory (CMT); Laboratory Experimental Medicine and Pediatrics (LEMP) |
|
|
Abstract |
Animal models are being used extensively in pre-clinical and safety assessment studies to assess the effectiveness and safety of new chemical entities and delivery systems. Although never entirely replacing the need for animal testing, the use of computer simulations could eventually reduce the amount of animals needed for research purposes and refine the data acquired from the animal studies. Computational fluid dynamics is a powerful tool that makes it possible to simulate flow and particle behavior in animal or patient-specific respiratory models, for purposes of inhaled delivery. This tool requires an accurate representation of the respiratory system, respiration and dose delivery attributes. The aim of this study is to develop a representative airway model of the Sprague-Dawley rat using static and dynamic micro-CT scans. The entire respiratory tract was modeled, from the snout and nares down to the central airways at the point where no distinction could be made between intraluminal air and the surrounding tissue. For the selection of the representative model, variables such as upper airway movement, segmentation length, airway volume and size are taken into account. Dynamic scans of the nostril region were used to illustrate the characteristic morphology of this region in anaesthetized animals. It could be concluded from this study that it was possible to construct a highly detailed representative model of a Sprague-Dawley rat based on imaging modalities such as micro-CT scans |
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
|
Place of Publication |
New York, N.Y. |
Editor |
|
|
|
Language |
|
Wos |
000265766000010 |
Publication Date |
2009-03-25 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
1932-8486;1932-8494; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
1.431 |
Times cited |
16 |
Open Access |
|
|
|
Notes |
|
Approved |
Most recent IF: 1.431; 2009 IF: 1.490 |
|
|
Call Number |
UA @ lucian @ c:irua:76455 |
Serial |
3342 |
|
Permanent link to this record |
|
|
|
|
Author |
Dabaghmanesh, S.; Sarmadian, N.; Neyts, E.C.; Partoens, B. |
|
|
Title |
A first principles study of p-type defects in LaCrO3 |
Type |
A1 Journal article |
|
Year |
2017 |
Publication |
Physical chemistry, chemical physics |
Abbreviated Journal |
Phys Chem Chem Phys |
|
|
Volume |
19 |
Issue |
34 |
Pages |
22870-22876 |
|
|
Keywords |
A1 Journal article; Condensed Matter Theory (CMT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
|
|
Abstract |
Recently, Sr-doped LaCrO3 has been experimentally introduced as a new p-type transparent conducting oxide. It is demonstrated that substituting Sr for La results in inducing p-type conductivity in LaCrO3. Performing first principles calculations we study the electronic structure and formation energy of various point defects in LaCrO3. Our results for the formation energies show that in addition to Sr, two more divalent defects, Ca and Ba, substituting for La in LaCrO3, behave as shallow acceptors in line with previous experimental reports. We further demonstrate that under oxygen-poor growth conditions, these shallow acceptors will be compensated by intrinsic donor-like defects (an oxygen vacancy and Cr on an oxygen site), but in the oxygen-rich growth regime the shallow acceptors have the lowest formation energies between all considered defects and will lead to p-type conductivity. |
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
|
Place of Publication |
Cambridge |
Editor |
|
|
|
Language |
|
Wos |
000408671600026 |
Publication Date |
2017-08-01 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
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 |
16 |
Open Access |
OpenAccess |
|
|
Notes |
; This work was supported by SIM vzw, Technologiepark 935, BE-9052 Zwijnaarde, Belgium, within the InterPoCo project of the H-INT-S horizontal program. The computational resources and services were provided by the Flemish Supercomputer Center and the HPC infrastructure of the University of Antwerp (CalcUA), both funded by the FWO-Vlaanderen and the Flemish Government. ; |
Approved |
Most recent IF: 4.123 |
|
|
Call Number |
UA @ lucian @ c:irua:145621 |
Serial |
4735 |
|
Permanent link to this record |
|
|
|
|
Author |
Croitoru, M.D.; Gladilin, V.N.; Fomin, V.M.; Devreese, J.T.; Magnus, W.; Schoenmaker, W.; Sorée, B. |
|
|
Title |
Quantum transport in a nanosize silicon-on-insulator metal-oxide-semiconductor field effect transistor |
Type |
A1 Journal article |
|
Year |
2003 |
Publication |
Journal of applied physics |
Abbreviated Journal |
J Appl Phys |
|
|
Volume |
93 |
Issue |
|
Pages |
1230-1240 |
|
|
Keywords |
A1 Journal article; Theory of quantum systems and complex systems; Condensed Matter Theory (CMT); Electron microscopy for materials research (EMAT) |
|
|
Abstract |
|
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
|
|
|
Language |
|
Wos |
000180134200069 |
Publication Date |
2003-01-03 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
0021-8979; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
2.068 |
Times cited |
16 |
Open Access |
|
|
|
Notes |
|
Approved |
Most recent IF: 2.068; 2003 IF: 2.171 |
|
|
Call Number |
UA @ lucian @ c:irua:40874 |
Serial |
2793 |
|
Permanent link to this record |
|
|
|
|
Author |
Cornelissens, Y.G.; Partoens, B.; Peeters, F.M. |
|
|
Title |
Transition from two-dimensional to three-dimensional classical artificial atoms |
Type |
A1 Journal article |
|
Year |
2000 |
Publication |
Physica. E: Low-dimensional systems and nanostructures |
Abbreviated Journal |
Physica E |
|
|
Volume |
8 |
Issue |
|
Pages |
314-322 |
|
|
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
|
Abstract |
|
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
North-Holland |
Place of Publication |
Amsterdam |
Editor |
|
|
|
Language |
|
Wos |
000165183000003 |
Publication Date |
2002-07-25 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
1386-9477; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
2.221 |
Times cited |
16 |
Open Access |
|
|
|
Notes |
|
Approved |
Most recent IF: 2.221; 2000 IF: 0.878 |
|
|
Call Number |
UA @ lucian @ c:irua:34349 |
Serial |
3700 |
|
Permanent link to this record |
|
|
|
|
Author |
Coeck, R.; Meeprasert, J.; Li, G.; Altantzis, T.; Bals, S.; Pidko, E.A.; De Vos, D.E. |
|
|
Title |
Gold and silver-catalyzed reductive amination of aromatic carboxylic acids to benzylic amines |
Type |
A1 Journal article |
|
Year |
2021 |
Publication |
Acs Catalysis |
Abbreviated Journal |
Acs Catal |
|
|
Volume |
11 |
Issue |
13 |
Pages |
7672-7684 |
|
|
Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Applied Electrochemistry & Catalysis (ELCAT) |
|
|
Abstract |
The reductive amination of benzoic acid and its derivatives would be an effective addition to current synthesis methods for benzylamine. However, with current technology it is very difficult to keep the aromaticity intact when starting from benzoic acid, and salt wastes are often generated in the process. Here, we report a heterogeneous catalytic system for such a reductive amination, requiring solely H-2 and NH3 as the reactants. The Ag/TiO2 or Au/TiO2 catalysts can be used multiple times, and very little noble metal is required, only 0.025 mol % Au. The catalysts are bifunctional: the support catalyzes the dehydration of both the ammonium carboxylate to the amide and of the amide to the nitrile, while the sites at the metal-support interface promote the hydrogenation of the in situ generated nitrile. Yields of up to 92% benzylamine were obtained. |
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
|
Place of Publication |
|
Editor |
|
|
|
Language |
|
Wos |
000670659900005 |
Publication Date |
2021-06-10 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
2155-5435 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
10.614 |
Times cited |
16 |
Open Access |
OpenAccess |
|
|
Notes |
R.C. thanks the FWO for his SB PhD fellowship. D.E.D.V. acknowledges FWO for research project funding, as well as KU Leuven for funding in the Metusalem program Casas. S.B. acknowledges support from the European Research Council (ERC Consolidator grant #815128 REALNANO). T.A. acknowledges funding from the University of Antwerp Research fund (BOF). E.A.P. acknowledges the support from the European Research Council (ERC Consolidator grant #725686 DeliCAT). J.M. acknowledges financial support through the Royal Thai Government Scholarship. DFT calculations on SURFsara supercomputer facilities were performed with support from the Netherlands Organization for Scientific Research (NWO).; sygmaSB |
Approved |
Most recent IF: 10.614 |
|
|
Call Number |
UA @ admin @ c:irua:179851 |
Serial |
6840 |
|
Permanent link to this record |
|
|
|
|
Author |
Charlier, E.; van Doorselaer, M.; Gijbels, R.; de Keyzer, R.; Geuens, I. |
|
|
Title |
Unveiling the composition of sulphur sensitization specks by their interactions with TAI |
Type |
A1 Journal article |
|
Year |
2000 |
Publication |
Journal Of Imaging Science And Technology |
Abbreviated Journal |
J Imaging Sci Techn |
|
|
Volume |
44 |
Issue |
3 |
Pages |
235-241 |
|
|
Keywords |
A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
|
|
Abstract |
A two-step process for the formation of sensitivity centers different from earlier described two-step processes was found for sulfur sensitized emulsions. After deposition of sulfur in the first step, it was found that the second step does not consist of rearrangement of sulfur over the surface, but of the supply of silver interstitial ions towards the deposited sulfur clusters. The two processes could be separated by adsorbing and desorbing TAI (4-hydroxy-1, 3,3a, 7-tetraazaindene) at/from the silver halide surface. When 1.5 mmol TAI/mol Ag is added before the sulfur reaction, the silver interstitials are immobilized but sulfur still can be deposited at the same level. By lowering the pH to 2.50 after this sulfur reaction, TAI is desorbed from the surface and the released interstitials then cause a restoration of the properties of a sulfur system without TAI. These effects could be demonstrated via diffuse reflectance spectroscopy (DRS), sensitometry and dielectric loss measurements. We could also confirm the isolation of silver sulfide clusters by TAI from other chemicals in the solution, by adsorption of TAI on the clusters. |
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
|
Place of Publication |
Springfield, Va |
Editor |
|
|
|
Language |
|
Wos |
000087651100010 |
Publication Date |
0000-00-00 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
1062-3701 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
0.348 |
Times cited |
16 |
Open Access |
|
|
|
Notes |
|
Approved |
Most recent IF: 0.348; 2000 IF: NA |
|
|
Call Number |
UA @ lucian @ c:irua:34075 |
Serial |
3820 |
|
Permanent link to this record |
|
|
|
|
Author |
Cao, S.; Somsen, C.; Croitoru, M.; Schryvers, D.; Eggeler, G. |
|
|
Title |
Focused ion beam/scanning electron microscopy tomography and conventional transmission electron microscopy assessment of Ni4Ti3 morphology in compression-aged Ni-rich Ni-Ti single crystals |
Type |
A1 Journal article |
|
Year |
2010 |
Publication |
Scripta materialia |
Abbreviated Journal |
Scripta Mater |
|
|
Volume |
62 |
Issue |
6 |
Pages |
399-402 |
|
|
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT) |
|
|
Abstract |
The size, morphology and configuration of Ni4Ti3 precipitates in a single-crystal NiTi alloy have been investigated by two-dimensional transmission electron microscopy-based image analysis and three-dimensional reconstruction from slice-and-view images obtained in a focused ion beam/scanning electron microscopy (FIB/SEM) dual-beam system. Average distances between the precipitates measured along the compression direction correlate well between both techniques, while particle shape and configuration data is best obtained from FIB/SEM. Precipitates form pockets of B2 of 0.54 ìm in the compression direction and 1 ìm perpendicular to the compression direction. |
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
|
Place of Publication |
Oxford |
Editor |
|
|
|
Language |
|
Wos |
000275072700020 |
Publication Date |
2009-12-04 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
1359-6462; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
3.747 |
Times cited |
16 |
Open Access |
|
|
|
Notes |
Fwo |
Approved |
Most recent IF: 3.747; 2010 IF: 2.820 |
|
|
Call Number |
UA @ lucian @ c:irua:79817 |
Serial |
1246 |
|
Permanent link to this record |
|
|
|
|
Author |
Bultinck, E.; Mahieu, S.; Depla, D.; Bogaerts, A. |
|
|
Title |
The origin of Bohm diffusion, investigated by a comparison of different modelling methods |
Type |
A1 Journal article |
|
Year |
2010 |
Publication |
Journal of physics: D: applied physics |
Abbreviated Journal |
J Phys D Appl Phys |
|
|
Volume |
43 |
Issue |
29 |
Pages |
292001,1-292001,5 |
|
|
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
|
|
Abstract |
'Bohm diffusion' causes the electrons to diffuse perpendicularly to the magnetic field lines. However, its origin is not yet completely understood: low and high frequency electric field fluctuations are both named to cause Bohm diffusion. The importance of including this process in a Monte Carlo (MC) model is demonstrated by comparing calculated ionization rates with particle-in-cell/Monte Carlo collisions (PIC/MCC) simulations. A good agreement is found with a Bohm diffusion parameter of 0.05, which corresponds well to experiments. Since the PIC/MCC method accounts for fast electric field fluctuations, we conclude that Bohm diffusion is caused by fast electric field phenomena. |
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
|
Place of Publication |
London |
Editor |
|
|
|
Language |
|
Wos |
000279638700001 |
Publication Date |
2010-07-09 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
0022-3727;1361-6463; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
2.588 |
Times cited |
16 |
Open Access |
|
|
|
Notes |
|
Approved |
Most recent IF: 2.588; 2010 IF: 2.109 |
|
|
Call Number |
UA @ lucian @ c:irua:83109 |
Serial |
2521 |
|
Permanent link to this record |
|
|
|
|
Author |
Bultinck, E.; Bogaerts, A. |
|
|
Title |
The effect of the magnetic field strength on the sheath region of a dc magnetron discharge |
Type |
A1 Journal article |
|
Year |
2008 |
Publication |
Journal of physics: D: applied physics |
Abbreviated Journal |
J Phys D Appl Phys |
|
|
Volume |
41 |
Issue |
|
Pages |
202007,1-5 |
|
|
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
|
|
Abstract |
A 2d3v particle-in-cell/Monte Carlo collisions model was applied to study the influence of the magnetic field strength on the cathode sheath region of a direct current (dc) magnetron discharge. When applying a magnetic field of 520-730 G, the cathode sheath width decreases with magnetic field strength, whereas, if a stronger magnetic field is applied (i. e. from 730 to 2600 G), the sheath width increases. This is explained by studying the structure of the sheath in different magnetic field strengths in terms of the electron and ion densities. The consequences of sheath structure on the sputter deposition process are also investigated. It is found that the magnetic field strength can control the erosion profile and the sputter rate. |
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
|
Place of Publication |
London |
Editor |
|
|
|
Language |
|
Wos |
000260131700007 |
Publication Date |
2008-10-02 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
0022-3727;1361-6463; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
2.588 |
Times cited |
16 |
Open Access |
|
|
|
Notes |
|
Approved |
Most recent IF: 2.588; 2008 IF: 2.104 |
|
|
Call Number |
UA @ lucian @ c:irua:70630 |
Serial |
847 |
|
Permanent link to this record |
|
|
|
|
Author |
Briers, J.; Eevers, W.; Cos, P.; Geise, H.J.; Mertens, R.; Nagels, P.; Zhang, X.B.; Van Tendeloo, G.; Herrebout, W.; van der Veken, B. |
|
|
Title |
Molecular orientation and conductivity in highly oriented poly(p-phenylene vinylene) |
Type |
A1 Journal article |
|
Year |
1994 |
Publication |
Polymer |
Abbreviated Journal |
Polymer |
|
|
Volume |
35 |
Issue |
|
Pages |
4569-4572 |
|
|
Keywords |
A1 Journal article; Molecular Spectroscopy (MolSpec); Electron microscopy for materials research (EMAT) |
|
|
Abstract |
|
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
|
Place of Publication |
Guildford |
Editor |
|
|
|
Language |
|
Wos |
A1994PM11600014 |
Publication Date |
2003-06-21 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
0032-3861; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
3.562 |
Times cited |
16 |
Open Access |
|
|
|
Notes |
|
Approved |
no |
|
|
Call Number |
UA @ lucian @ c:irua:8539 |
Serial |
2180 |
|
Permanent link to this record |
|
|
|
|
Author |
Bousige, C.; Rols, S.; Cambedouzou, J.; Verberck, B.; Pekker, S.; Kováts, É.; Durkó, G.; Jalsovsky, I.; Pellegrini, É.; Launois, P. |
|
|
Title |
Lattice dynamics of a rotor-stator molecular crystal: Fullerene-cubane C60\centerdot C8H8 |
Type |
A1 Journal article |
|
Year |
2010 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
|
|
Volume |
82 |
Issue |
19 |
Pages |
195413-195413,10 |
|
|
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
|
Abstract |
The dynamics of fullerene-cubane (C60⋅C8H8) cocrystal is studied combining experimental [x-ray diffuse scattering, quasielastic and inelastic neutron scattering (INS)] and simulation (molecular dynamics) investigations. Neutron scattering gives direct evidence of the free rotation of fullerenes and of the libration of cubanes in the high-temperature phase, validating the rotor-stator description of this molecular system. X-ray diffuse scattering shows that orientational disorder survives the order/disorder transition in the low-temperature phase, although the loss of fullerene isotropic rotational diffusion is featured by the appearance of a 2.2 meV mode in the INS spectra. The coupling between INS and simulations allows identifying a degeneracy lift of the cubane librations in the low temperature phase, which is used as a tool for probing the environment of cubane in this phase and for getting further insights into the phase transition mechanism. |
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
|
Place of Publication |
|
Editor |
|
|
|
Language |
|
Wos |
000283923500004 |
Publication Date |
2010-11-08 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
3.836 |
Times cited |
16 |
Open Access |
|
|
|
Notes |
; The authors acknowledge P.-A. Albouy and S. Rouziere (LPS, Orsay) for fruitful discussions and for their support during diffuse scattering experiments. Work in Hungary was supported by the Hungarian Research Fund, OTKA under Grant No. K72954. The CS group at the ILL is acknowledged for their support during the MD simulations. ; |
Approved |
Most recent IF: 3.836; 2010 IF: 3.774 |
|
|
Call Number |
UA @ lucian @ c:irua:85801 |
Serial |
1802 |
|
Permanent link to this record |
|
|
|
|
Author |
Bogaerts, A.; Wilken, L.; Hoffmann, V.; Gijbels, R.; Wetzig, K. |
|
|
Title |
Comparison of modeling calculations with experimental results for direct current glow discharge optical emission spectrometry |
Type |
A1 Journal article |
|
Year |
2001 |
Publication |
Spectrochimica acta: part B : atomic spectroscopy |
Abbreviated Journal |
Spectrochim Acta B |
|
|
Volume |
56 |
Issue |
|
Pages |
551-564 |
|
|
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
|
|
Abstract |
|
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
|
Place of Publication |
Oxford |
Editor |
|
|
|
Language |
|
Wos |
000169972200007 |
Publication Date |
2002-07-25 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
0584-8547; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
3.241 |
Times cited |
16 |
Open Access |
|
|
|
Notes |
|
Approved |
Most recent IF: 3.241; 2001 IF: 2.172 |
|
|
Call Number |
UA @ lucian @ c:irua:34140 |
Serial |
430 |
|
Permanent link to this record |
|
|
|
|
Author |
Bogaerts, A.; Gijbels, R. |
|
|
Title |
Numerical modelling of gas discharge plasmas for various applications |
Type |
A1 Journal article |
|
Year |
2003 |
Publication |
Vacuum: surface engineering, surface instrumentation & vacuum technology |
Abbreviated Journal |
Vacuum |
|
|
Volume |
69 |
Issue |
|
Pages |
37-52 |
|
|
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
|
|
Abstract |
Gas discharge plasmas are used for a wide range of applications. To improve our understanding about gas discharges, which is necessary to obtain good results in the various application fields, we perform numerical modelling of gas discharge plasmas. Various kinds of modelling approaches, for various types of gas discharges, are being used in our group. In this paper, some examples of this modelling work are outlined. (C) 2002 Elsevier Science Ltd. All rights reserved. |
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
|
Place of Publication |
Oxford |
Editor |
|
|
|
Language |
|
Wos |
000180739000006 |
Publication Date |
2002-12-30 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
0042-207X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
1.53 |
Times cited |
16 |
Open Access |
|
|
|
Notes |
|
Approved |
Most recent IF: 1.53; 2003 IF: 0.612 |
|
|
Call Number |
UA @ lucian @ c:irua:40194 |
Serial |
2401 |
|
Permanent link to this record |
|
|
|
|
Author |
Bismayer, U.; Mathes, D.; Bosbach, D.; Putnis, A.; Van Tendeloo, G.; Novak, J.; Salje, E.K.H. |
|
|
Title |
Ferroelastic orientation states and domain walls in lead phosphate type crystals |
Type |
A1 Journal article |
|
Year |
2000 |
Publication |
Mineralogical magazine |
Abbreviated Journal |
Mineral Mag |
|
|
Volume |
64 |
Issue |
2 |
Pages |
233-239 |
|
|
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
|
|
Abstract |
|
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
|
Place of Publication |
London |
Editor |
|
|
|
Language |
|
Wos |
000087015800007 |
Publication Date |
2002-07-27 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
1471-8022;0026-461X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
1.285 |
Times cited |
16 |
Open Access |
|
|
|
Notes |
|
Approved |
Most recent IF: 1.285; 2000 IF: 1.570 |
|
|
Call Number |
UA @ lucian @ c:irua:54694 |
Serial |
1178 |
|
Permanent link to this record |
|
|
|
|
Author |
Bigiani, L.; Andreu, T.; Maccato, C.; Fois, E.; Gasparotto, A.; Sada, C.; Tabacchi, G.; Krishnan, D.; Verbeeck, J.; Ramon Morante, J.; Barreca, D. |
|
|
Title |
Engineering Au/MnO₂ hierarchical nanoarchitectures for ethanol electrochemical valorization |
Type |
A1 Journal article |
|
Year |
2020 |
Publication |
Journal Of Materials Chemistry A |
Abbreviated Journal |
J Mater Chem A |
|
|
Volume |
8 |
Issue |
33 |
Pages |
16902-16907 |
|
|
Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
|
|
Abstract |
The design of eco-friendly electrocatalysts for ethanol valorization is an open challenge towards sustainable hydrogen production. Herein we present an original fabrication route to effective electrocatalysts for the ethanol oxidation reaction (EOR). In particular, hierarchical MnO(2)nanostructures are grown on high-area nickel foam scaffolds by a plasma-assisted strategy and functionalized with low amounts of optimally dispersed Au nanoparticles. This strategy leads to catalysts with a unique morphology, designed to enhance reactant-surface contacts and maximize active site utilization. The developed nanoarchitectures show superior performances for ethanol oxidation in alkaline media. We reveal that Au decoration boosts MnO(2)catalytic activity by inducing pre-dissociation and pre-oxidation of the adsorbed ethanol molecules. This evidence validates our strategy as an effective route for the development of green electrocatalysts for efficient electrical-to-chemical energy conversion. |
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
|
Place of Publication |
|
Editor |
|
|
|
Language |
|
Wos |
000562931300008 |
Publication Date |
2020-07-21 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
2050-7488; 2050-7496 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
11.9 |
Times cited |
16 |
Open Access |
OpenAccess |
|
|
Notes |
; This work was financially supported by Padova University DOR 2016-2019 and P-DiSC #03BIRD2018-UNIPD OXYGENA projects, as well as by the INSTM Consortium (INSTMPD004 – NETTUNO), AMGA Foundation Mn4Energy project and Insubria University FAR2018. J. V. and D. K. acknowledge funding from the Flemish Government (Hercules), GOA project “Solarpaint” (Antwerp University) and European Union's H2020 programme under grant agreement no. 823717 ESTEEM3. The authors are grateful to Dr Gianluca Corr for skillful technical support. ; esteem3TA; esteem3reported |
Approved |
Most recent IF: 11.9; 2020 IF: 8.867 |
|
|
Call Number |
UA @ admin @ c:irua:171989 |
Serial |
6506 |
|
Permanent link to this record |
|
|
|
|
Author |
Berthelot, A.; Bogaerts, A. |
|
|
Title |
Modeling of CO2plasma: effect of uncertainties in the plasma chemistry |
Type |
A1 Journal article |
|
Year |
2017 |
Publication |
Plasma sources science and technology |
Abbreviated Journal |
Plasma Sources Sci T |
|
|
Volume |
26 |
Issue |
11 |
Pages |
115002 |
|
|
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
|
|
Abstract |
Low-temperature plasma chemical kinetic models are particularly important to the plasma community. These models typically require dozens of inputs, especially rate coefficients. The latter are not always precisely known and it is not surprising that the error on the rate coefficient data can propagate to the model output. In this paper, we present a model that uses N = 400 different combinations of rate coefficients based on the uncertainty attributed to each rate coefficient, giving a good estimation of the uncertainty on the model output due to the rate coefficients. We demonstrate that the uncertainty varies a lot with the conditions and the type of output. Relatively low uncertainties (about 15%) are found for electron density and temperature, while the uncertainty can reach more than an order of magnitude for the population of the vibrational levels in some cases and it can rise up to 100% for the CO2 conversion. The reactions that are mostly responsible for the largest uncertainties are identified. We show that the conditions of pressure, gas temperature and power density have a great effect on the uncertainty and on which reactions lead to this uncertainty. In all the cases tested here, while the absolute values may suffer from large uncertainties, the trends observed in previous modeling work are still valid. Finally, in accordance with the work of Turner, a number of ‘good practices’ is recommended. |
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
|
Place of Publication |
|
Editor |
|
|
|
Language |
|
Wos |
000413216500002 |
Publication Date |
2017-10-18 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
1361-6595 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
3.302 |
Times cited |
16 |
Open Access |
OpenAccess |
|
|
Notes |
We acknowledge financial support from the European Unions Seventh Framework Program for research, technological development and demonstration under grant agreement n◦ 606889. The calculations were carried out using the Turing HPC infrastructure at the CalcUA core facility of the Universiteit Antwerpen (UA), a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government (department EWI) and the UA. |
Approved |
Most recent IF: 3.302 |
|
|
Call Number |
PLASMANT @ plasmant @c:irua:146879c:irua:146642 |
Serial |
4758 |
|
Permanent link to this record |
|
|
|
|
Author |
Berdiyorov, G.R.; Madjet, M.E.; El-Mellouhi, F.; Peeters, F.M. |
|
|
Title |
Effect of crystal structure on the electronic transport properties of the organometallic perovskite CH3NH3PbI3 |
Type |
A1 Journal article |
|
Year |
2016 |
Publication |
Solar energy materials and solar cells
T2 – 2nd International Renewable and Sustainable Energy Conference (IRSEC), OCT 17-19, 2014, Ouarzazate, MOROCCO |
Abbreviated Journal |
Sol Energ Mat Sol C |
|
|
Volume |
148 |
Issue |
148 |
Pages |
60-66 |
|
|
Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
|
|
Abstract |
Using density-functional theory in combination with the nonequilibrium Green's function formalism, we study the effect of the crystal lattice structure of organometallic perovskite CH3NH3PbI3 on its electronic transport properties. Both dispersive interactions and spin-orbit coupling are taken into account in describing structural and electronic properties of the system. We consider two different phases of the material, namely the orthorhombic and cubic lattice structures, which are energetically stable at low (< 160 K) and high (> 330 K) temperatures, respectively. The sizable geometrical differences between the two structures in term of lattice parameters, PbI6 octahedral tilts, rotation and deformations, have considerable impact on the transport properties of the material. For example, at zero bias and for all considered electron energies, the cubic phase has a larger transmission than the orthorhombic one, although both show similar electronic densities of states. Depending on the applied voltage, the current in the cubic system can be several orders of magnitude larger as compared to the one obtained for the orthorhombic sample. We attribute this enhancement in the transmission to the presence of extended states in the cubic phase due to the symmetrically shaped and ordered PbI6 octaherdra. (C) 2015 Elsevier B.V. All rights reserved. |
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
Elsevier science bv |
Place of Publication |
Amsterdam |
Editor |
|
|
|
Language |
|
Wos |
000371944500011 |
Publication Date |
2015-11-06 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
0927-0248 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
4.784 |
Times cited |
16 |
Open Access |
|
|
|
Notes |
; ; |
Approved |
Most recent IF: 4.784 |
|
|
Call Number |
UA @ lucian @ c:irua:133151 |
Serial |
4163 |
|
Permanent link to this record |
|
|
|
|
Author |
Benedict, M.G.; Földi, P.; Peeters, F.M. |
|
|
Title |
Microwave emission from a crystal of molecular magnets: the role of a resonant cavity |
Type |
A1 Journal article |
|
Year |
2005 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
|
|
Volume |
72 |
Issue |
21 |
Pages |
214430,1-9 |
|
|
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
|
Abstract |
|
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
|
Place of Publication |
Lancaster, Pa |
Editor |
|
|
|
Language |
|
Wos |
000234335400099 |
Publication Date |
2005-12-20 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
3.836 |
Times cited |
16 |
Open Access |
|
|
|
Notes |
|
Approved |
Most recent IF: 3.836; 2005 IF: 3.185 |
|
|
Call Number |
UA @ lucian @ c:irua:56302 |
Serial |
2081 |
|
Permanent link to this record |
|
|
|
|
Author |
Bekaert, J.; Khestanova, E.; Hopkinson, D.G.; Birkbeck, J.; Clark, N.; Zhu, M.; Bandurin, D.A.; Gorbachev, R.; Fairclough, S.; Zou, Y.; Hamer, M.; Terry, D.J.; Peters, J.J.P.; Sanchez, A.M.; Partoens, B.; Haigh, S.J.; Milošević, M.V.; Grigorieva, I., V |
|
|
Title |
Enhanced superconductivity in few-layer TaS₂ due to healing by oxygenation |
Type |
A1 Journal article |
|
Year |
2020 |
Publication |
Nano Letters |
Abbreviated Journal |
Nano Lett |
|
|
Volume |
20 |
Issue |
5 |
Pages |
3808-3818 |
|
|
Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
|
|
Abstract |
When approaching the atomically thin limit, defects and disorder play an increasingly important role in the properties of two-dimensional (2D) materials. While defects are generally thought to negatively affect superconductivity in 2D materials, here we demonstrate the contrary in the case of oxygenation of ultrathin tantalum disulfide (TaS2). Our first-principles calculations show that incorporation of oxygen into the TaS2 crystal lattice is energetically favorable and effectively heals sulfur vacancies typically present in these crystals, thus restoring the electronic band structure and the carrier density to the intrinsic characteristics of TaS2. Strikingly, this leads to a strong enhancement of the electron-phonon coupling, by up to 80% in the highly oxygenated limit. Using transport measurements on fresh and aged (oxygenated) few-layer TaS2, we found a marked increase of the superconducting critical temperature (T-c) upon aging, in agreement with our theory, while concurrent electron microscopy and electron-energy loss spectroscopy confirmed the presence of sulfur vacancies in freshly prepared TaS2 and incorporation of oxygen into the crystal lattice with time. Our work thus reveals the mechanism by which certain atomic-scale defects can be beneficial to superconductivity and opens a new route to engineer T-c in ultrathin materials. |
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
|
Place of Publication |
|
Editor |
|
|
|
Language |
|
Wos |
000535255300114 |
Publication Date |
2020-04-20 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
1530-6984 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
10.8 |
Times cited |
16 |
Open Access |
|
|
|
Notes |
; This work was supported by Research Foundation-Flanders (FWO). J.Be. acknowledges support of a postdoctoral fellowship of the FWO. The computational resources and services used for the first-principles calculations in this work were provided by the VSC (Flemish Supercomputer Center), funded by the FWO and the Flemish Government-department EWI. S.J.H., D.H., and S.F. would like to thank the Engineering and Physical Sciences Research Council (EPSRC) U.K (grants EP/R031711/1, EP/P009050/1 and the Graphene NOWNANO CDT) and the European Research Council (ERC) under the European Union's Horizon 2020 research and innovation program (grant agreement ERC-2016-STG-EvoluTEM-715502, the Hetero2D Synergy grant and EC-FET Graphene Flagship) for funding. We thank Diamond Light Source for access and support in use of the electron Physical Science Imaging Centre (Instrument E02 and proposal numbers EM19315 and MG21597) that contributed to the results presented here. ; |
Approved |
Most recent IF: 10.8; 2020 IF: 12.712 |
|
|
Call Number |
UA @ admin @ c:irua:170264 |
Serial |
6507 |
|
Permanent link to this record |
|
|
|
|
Author |
Batuk, D.; Hadermann, J.; Abakumov, A.; Vranken, T.; Hardy, A.; van Bael, M.; Van Tendeloo, G. |
|
|
Title |
Layered perovskite-like Pb2Fe2O5 structure as a parent matrix for the nucleation and growth of crystallographic shear planes |
Type |
A1 Journal article |
|
Year |
2011 |
Publication |
Inorganic chemistry |
Abbreviated Journal |
Inorg Chem |
|
|
Volume |
50 |
Issue |
11 |
Pages |
4978-4986 |
|
|
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
|
|
Abstract |
The Pb2Fe2O5 compound with a layered intergrowth structure has been prepared by a solid-state reaction at 700 °C. The incommensurate compound crystallizes in a tetragonal system with a = 3.9037(2) Å, c = 3.9996(4) Å, and q = 0.1186(4)c*, or when treated as a commensurate approximant, a = 3.9047(2) Å, c = 36.000(3) Å, space group I4/mmm. The crystal structure of Pb2Fe2O5 was resolved from transmission electron microscopy data. Atomic coordinates and occupancies of the cation positions were estimated from high-angle annular dark-field scanning transmission electron microscopy data. Direct visualization of the positions of the oxygen atoms was possible using annular bright-field scanning transmission electron microscopy. The structure can be represented as an intergrowth of perovskite blocks and partially disordered blocks with a structure similar to that of the Bi2O2 blocks in Aurivillius-type phases. The A-cation positions at the border of the perovskite block and the cation positions in the Aurivillius-type blocks are jointly occupied by Pb2+ and Fe3+ cations, resulting in a layer sequence along the c axis: PbOFeO2PbOFeO2Pb7/8Fe1/8O1xFe5/8Pb3/8O2Fe5/8Pb3/8. Upon heating, the layered Pb2Fe2O5 structure transforms into an anion-deficient perovskite modulated by periodically spaced crystallographic shear (CS) planes. Considering the layered Pb2Fe2O5 structure as a parent matrix for the nucleation and growth of CS planes allows an explanation of the specific microstructure observed for the CS structures in the PbFeO system. |
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
|
Place of Publication |
Easton, Pa |
Editor |
|
|
|
Language |
|
Wos |
000290978400038 |
Publication Date |
2011-04-29 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
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 |
16 |
Open Access |
|
|
|
Notes |
|
Approved |
Most recent IF: 4.857; 2011 IF: 4.601 |
|
|
Call Number |
UA @ lucian @ c:irua:90141 |
Serial |
1809 |
|
Permanent link to this record |
|
|
|
|
Author |
Balaban, S.N.; Pokatilov, E.P.; Fomin, V.M.; Gladilin, V.N.; Devreese, J.T.; Magnus, W.; Schoenmaker, W.; van Rossum, M.; Sorée, B. |
|
|
Title |
Quantum transport in a cylindrical sub-0.1 μm silicon-based MOSFET |
Type |
A1 Journal article |
|
Year |
2002 |
Publication |
Solid-State Electronics |
Abbreviated Journal |
Solid State Electron |
|
|
Volume |
46 |
Issue |
|
Pages |
435-444 |
|
|
Keywords |
A1 Journal article; Electron Microscopy for Materials Science (EMAT); |
|
|
Abstract |
|
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
|
Place of Publication |
Oxford |
Editor |
|
|
|
Language |
|
Wos |
000174445000020 |
Publication Date |
2002-10-15 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
0038-1101; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
1.58 |
Times cited |
16 |
Open Access |
|
|
|
Notes |
|
Approved |
Most recent IF: 1.58; 2002 IF: 0.913 |
|
|
Call Number |
UA @ lucian @ c:irua:40880 |
Serial |
2791 |
|
Permanent link to this record |
|
|
|
|
Author |
Abakumov, A.M.; Rozova, M.G.; Antipov, E.V.; Hadermann, J.; Van Tendeloo, G.; Lobanov, M.V.; Greenblatt, M.; Croft, M.; Tsiper, E.V.; Llobet, A.; Lokshin, K.A.; Zhao, Y. |
|
|
Title |
Synthesis, cation ordering, and magnetic properties of the (Sb1-xPbx)2(Mn1-ySby)O4 solid solutions with the Sb2MnO4-type structure |
Type |
A1 Journal article |
|
Year |
2005 |
Publication |
Chemistry of materials |
Abbreviated Journal |
Chem Mater |
|
|
Volume |
17 |
Issue |
|
Pages |
1123-1134 |
|
|
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
|
|
Abstract |
|
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
|
Place of Publication |
Washington, D.C. |
Editor |
|
|
|
Language |
|
Wos |
000227421300029 |
Publication Date |
2005-03-01 |
|
|
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 |
16 |
Open Access |
|
|
|
Notes |
Iap V-1 |
Approved |
Most recent IF: 9.466; 2005 IF: 4.818 |
|
|
Call Number |
UA @ lucian @ c:irua:51440 |
Serial |
3446 |
|
Permanent link to this record |