Records |
Author |
Hadermann, J.; Abakumov, A.M.; Tsirlin, A.A.; Filonenko, V.P.; Gonnissen, J.; Tan, H.; Verbeeck, J.; Gemmi, M.; Antipov, E.V.; Rosner, H. |
Title |
Direct space structure solution from precession electron diffraction data: resolving heavy and light scatterers in Pb13Mn9O25 |
Type |
A1 Journal article |
Year |
2010 |
Publication |
Ultramicroscopy |
Abbreviated Journal |
Ultramicroscopy |
Volume |
110 |
Issue |
7 |
Pages |
881-890 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
The crystal structure of a novel compound Pb13Mn9O25 has been determined through a direct space structure solution with a Monte-Carlo-based global optimization using precession electron diffraction data (a=14.177(3) Å, c=3.9320(7) Å, SG P4/m, RF=0.239) and compositional information obtained from energy dispersive X-ray analysis and electron energy loss spectroscopy. This allowed to obtain a reliable structural model even despite the simultaneous presence of both heavy (Pb) and light (O) scattering elements and to validate the accuracy of the electron diffraction-based structure refinement. This provides an important benchmark for further studies of complex structural problems with electron diffraction techniques. Pb13Mn9O25 has an anion- and cation-deficient perovskite-based structure with the A-positions filled by the Pb atoms and 9/13 of the B positions filled by the Mn atoms in an ordered manner. MnO6 octahedra and MnO5 tetragonal pyramids form a network by sharing common corners. Tunnels are formed in the network due to an ordered arrangement of vacancies at the B-sublattice. These tunnels provide sufficient space for localization of the lone 6s2 electron pairs of the Pb2+ cations, suggested as the driving force for the structural difference between Pb13Mn9O25 and the manganites of alkali-earth elements with similar compositions. |
Address |
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Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
Amsterdam |
Editor |
|
Language |
|
Wos |
000280050900023 |
Publication Date |
2010-04-01 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0304-3991; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.843 |
Times cited |
24 |
Open Access |
|
Notes |
Fwo; Bof; Esteem |
Approved |
Most recent IF: 2.843; 2010 IF: 2.063 |
Call Number |
UA @ lucian @ c:irua:84085UA @ admin @ c:irua:84085 |
Serial |
721 |
Permanent link to this record |
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|
|
Author |
Cortes-Gil, R.; Parker, D.R.; Pitcher, M.J.; Hadermann, J.; Clarke, S.J. |
Title |
Indifference of superconductivity and magnetism to size-mismatched cations in the layered iron arsenides Ba1-xNaxFe2As2 |
Type |
A1 Journal article |
Year |
2010 |
Publication |
Chemistry of materials |
Abbreviated Journal |
Chem Mater |
Volume |
22 |
Issue |
14 |
Pages |
4304-4311 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
The evolution of the structure, magnetic ordering, and superconductivity in the series Ba(1-x)Na(x)Fe(2)As(2) is reported up to the limiting Na-rich composition with x = 0.6; the more Na-rich compositions are unstable at high temperatures with respect to competing phases. The magnetic and superconducting behaviors of the Bai,Na,Fe,As, members are similar to those of the betterinvestigated Ba(1-x)Na(x)Fe(2)As(2) analogues. This is evidently a consequence of the quantitatively similar evolution of the structure of the FeAs layers in the two series. In Ba(1-x)Na(x)Fe(2)As(2) antiferromagnetic order and an associated structural distortion are evident for x <= 0.35 and superconductivity is evident when x exceeds 0.2. For 0.4 <= x <= 0.6 bulk superconductivity is evident, and the long-range antiferromagnetically ordered state is completely suppressed. The maximum T(c) in the Ba(1-x)Na(x)Fe(2)As(2) series, as judged by the onset of diamagnetism, is 34K in Ba(0.6)Na(0.4)Fe(2)As(2). Despite the large mis-match in sizes between the two electropositive cations which separate the FeAs layers, there is no evidence for ordering of these cations on the length scale probed by electron diffraction. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
|
Place of Publication |
Washington, D.C. |
Editor |
|
Language |
|
Wos |
000280005300027 |
Publication Date |
2010-07-02 |
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 |
31 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 9.466; 2010 IF: 6.400 |
Call Number |
UA @ lucian @ c:irua:95594 |
Serial |
1601 |
Permanent link to this record |
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|
|
Author |
Li, Y.; Yang, X.-Y.; Rooke, J.; Van Tendeloo, G.; Su, B.-L. |
Title |
Ultralong Cu(OH)(2) and CuO nanowire bundles: PEG200-directed crystal growth for enhanced photocatalytic performance |
Type |
A1 Journal article |
Year |
2010 |
Publication |
Journal of colloid and interface science |
Abbreviated Journal |
J Colloid Interf Sci |
Volume |
348 |
Issue |
2 |
Pages |
303-312 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
Ultralong Cu(OH)(2) and CuO nanowire bundles with lengths ranging from tens to hundreds of micrometers have been selectively synthesized on a large scale by a facile solution-phase method, using PEG200 as growth-directing agent. The growth mechanisms were investigated by monitoring the nanowire evolution process. The results showed that under the action of PEG200 molecules, the Cu(OH)(2) and CuO nanowires were first formed through oriented attachment of colloidal particles, then through side self-assembly leading to nanowire bundles, and finally to CuO nanoleaves. PEG200 plays a critical role in the synthesis of nanowires as it not only prevents the random aggregation of colloidal particles toward CuO nanoleaves but also helps to orientate nanowire growth by the coalescence and alignment in one direction of the colloidal particles. The concentration of OH(-) in the reaction system is also important for nanowire growth. In the absence of PEG200, nanoleaves are formed by an Ostwald ripening process. The band-gap value estimated from a UV-Vis absorption spectrum of CuO nanowire bundles is 2.32 eV. The photodegradation of a model pollutant, rhodamine B, by CuO nanowires and nanoleaves was compared with commercial nanopowders, showing that the as-synthesized ultralong CuO polycrystalline nanowire bundles have an enhanced photocatalytic activity with 87% decomposition of rhodamine B after an 8-h reaction, which was much higher than that of single-crystal nanoleaves (61%) and commercial nanopowders (32%). The origin of the high photocatalytic activity of these new polycrystalline CuO nanowire bundles has been discussed. This present work reveals that the (0 0 2) crystallographic surface is more favorable for photocatalytic decomposition of organic compounds and that these ultralong CuO nanowire bundles are potential candidates for photocatalysts in wastewater treatment. (C) 2010 Elsevier Inc. All rights reserved. |
Address |
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Corporate Author |
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Thesis |
|
Publisher |
|
Place of Publication |
New York, N.Y. |
Editor |
|
Language |
|
Wos |
000279968700002 |
Publication Date |
2010-04-26 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0021-9797; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
4.233 |
Times cited |
70 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 4.233; 2010 IF: 3.068 |
Call Number |
UA @ lucian @ c:irua:95589 |
Serial |
3795 |
Permanent link to this record |
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|
|
Author |
Buysse, C.; Kovalevsky, A.; Snijkers, F.; Buekenhoudt, A.; Mullens, S.; Luyten, J.; Kretzschmar, J.; Lenaerts, S. |
Title |
Fabrication and oxygen permeability of gastight, macrovoid-free Ba0.5Sr0.5Co0.8Fe0.2O3-\delta capillaries for high temperature gas separation |
Type |
A1 Journal article |
Year |
2010 |
Publication |
Journal of membrane science |
Abbreviated Journal |
J Membrane Sci |
Volume |
359 |
Issue |
1-2 |
Pages |
86-92 |
Keywords |
A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
Abstract |
Oxygen-permeable perovskites with mixed ionic-electronic conducting properties can play an important role in the separation of oxygen from air which is needed in the oxy-fuel and pre-combustion technologies for the removal and capture of CO2. In this work, gastight, macrovoid-free Ba0.5Sr0.5Co0.8Fe0.2O3−δ (BSCF) capillaries were successfully shaped by a phase-inversion spinning technique, followed by calcination and sintering. It was found that both the rheology of the ceramic suspension and the composition of bore liquid and coagulation bath are key factors for making macrovoid-free green capillaries. Gastight BSCF capillaries were obtained by sintering for 5 h at 1100 °C. The sintered BSCF capillaries contained a significant amount of BaSO4 due to a reaction with the polysulfone binder during calcination. The oxygen permeation flux through the BSCF capillaries was measured and compared to literature data on BSCF disk and hollow fiber membranes measured in similar conditions. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
|
Place of Publication |
|
Editor |
|
Language |
|
Wos |
000279953300010 |
Publication Date |
2009-10-30 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0376-7388 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
6.035 |
Times cited |
38 |
Open Access |
|
Notes |
; The authors want to express their thanks to the VITO personnel for their continuous support, especially B. Molenberghs, W. Doyen, H. Beckers (Separation and Conversion Technology, VITO), R. Kemps, M. Mertens, I. Thijs, M. Schoeters, W. Bouwen and J. Cooymans (Materials Department, VITO). C. Buysse thankfully acknowledges a PhD scholarship provided by VITO and the University of Antwerp. This work is performed in the framework of the German Helmholtz Alliance Project “MEM-BRAIN”, aiming at the development of gas separation membranes for zero-emission fossil fuel power plants. ; |
Approved |
Most recent IF: 6.035; 2010 IF: 3.673 |
Call Number |
UA @ admin @ c:irua:82008 |
Serial |
5950 |
Permanent link to this record |
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|
Author |
Worobiec, A.; Samek, J.; Krata, A.; van Meel, K.; Krupińska, B.; Stefaniak, E.A.; Karaszkiewicz, P.; Van Grieken, R. |
Title |
Transport and deposition of airborne pollutants in exhibition areas located in historical buildings: study in Wawel Castle Museum in Cracow, Poland |
Type |
A1 Journal article |
Year |
2010 |
Publication |
Journal of cultural heritage |
Abbreviated Journal |
|
Volume |
11 |
Issue |
3 |
Pages |
354-359 |
Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Laboratory Experimental Medicine and Pediatrics (LEMP) |
Abstract |
Historical buildings and castles that have been turned nowadays into museums, as an exhibition area for precious cultural heritage (CH) items, need more attention since they are CH objects by themselves. Moreover, the preservation techniques require often, significant interventions; however such changes are not always possible or are very limited. The aim of the present study was to investigate the influence of outdoor air pollution on the composition of particulate matter and gases inside the museum of Wawel Castle in Cracow, Poland. During this study a combination of micro and trace analysis techniques were applied, including energy dispersive X-ray fluorescence (EDXRF) and electron probe microanalysis (EPMA). An intensive transport of air pollutants coupled with accumulation of the particles inside the museum was noticed (considerably higher in winter than summer). A high content of carbon and organic matter agglomerated with inorganic particles was determined. Those particles are of special concern because of their adhesive properties and reactivity. It was also noted that the conditions inside the museum favour the reaction of the particles with gaseous pollutants. It was especially the case for nitrate particles. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
|
Editor |
|
Language |
|
Wos |
000279867800017 |
Publication Date |
2010-03-25 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1296-2074 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
|
Times cited |
|
Open Access |
|
Notes |
|
Approved |
no |
Call Number |
UA @ admin @ c:irua:83277 |
Serial |
8698 |
Permanent link to this record |
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|
|
Author |
Delville, R.; Malard, B.; Pilch, J.; Schryvers, D. |
Title |
Microstructure changes during non-conventional heat treatment of thin NiTi wires by pulsed electric current studied by transmission electron microscopy |
Type |
A1 Journal article |
Year |
2010 |
Publication |
Acta materialia |
Abbreviated Journal |
Acta Mater |
Volume |
58 |
Issue |
13 |
Pages |
4503-4515 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
Transmission electron microscopy, electrical resistivity measurements and mechanical testing were employed to investigate the evolution of microstructure and functional superelastic properties of 0.1 mm diameter as-drawn NiTi wires subjected to a non-conventional heat treatment by controlled electric pulse currents. This method enables a better control of the recovery and recrystallization processes taking place during the heat treatment and accordingly a better control on the final microstructure. Using a stepwise approach of millisecond pulse annealing, it is shown how the microstructure evolves from a severely deformed state with no functional properties to an optimal nanograined microstructure (2050 nm) that is partially recovered through polygonization and partially recrystallized and that has the best functional properties. Such a microstructure is highly resistant against dislocation slip upon cycling, while microstructures annealed for longer times and showing mostly recrystallized grains were prone to dislocation slip, particularly as the grain size exceeds 200 nm. |
Address |
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Corporate Author |
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Thesis |
|
Publisher |
|
Place of Publication |
Oxford |
Editor |
|
Language |
|
Wos |
000279787100020 |
Publication Date |
2010-06-02 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1359-6454; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
5.301 |
Times cited |
110 |
Open Access |
|
Notes |
Multimat; FWO
IAA |
Approved |
Most recent IF: 5.301; 2010 IF: 3.791 |
Call Number |
UA @ lucian @ c:irua:83279 |
Serial |
2062 |
Permanent link to this record |
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|
|
Author |
Van de Vyver, S.; Geboers, J.; Dusselier, M.; Schepers, H.; Vosch, T.; Zhang, L.; Van Tendeloo, G.; Jacobs, P.A.; Sels, B.F. |
Title |
Selective bifunctional catalytic conversion of cellulose over reshaped ni particles at the tip of carbon nanofibers |
Type |
A1 Journal article |
Year |
2010 |
Publication |
Chemsuschem |
Abbreviated Journal |
Chemsuschem |
Volume |
3 |
Issue |
6 |
Pages |
698-701 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
|
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
Weinheim |
Editor |
|
Language |
|
Wos |
000279753300011 |
Publication Date |
2010-05-05 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1864-5631;1864-564X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
7.226 |
Times cited |
136 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 7.226; 2010 IF: 6.325 |
Call Number |
UA @ lucian @ c:irua:95657 |
Serial |
2962 |
Permanent link to this record |
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|
|
Author |
Napierala, C.; Lepoittevin, C.; Edely, M.; Sauques, L.; Giovanelli, F.; Laffez, P.; Van Tendeloo, G. |
Title |
Moderate pressure synthesis of rare earth nickelate with metal-insulator transition using polymeric precursors |
Type |
A1 Journal article |
Year |
2010 |
Publication |
Journal of solid state chemistry |
Abbreviated Journal |
J Solid State Chem |
Volume |
183 |
Issue |
7 |
Pages |
1663-1669 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
Rare earth nickelates exhibit a reversible metalsemiconductor phase transition that is, in the infrared range, responsible for a thermo-optical contrast. The state of the art synthesis of these compounds usually requires high oxygen pressure to stabilize Ni in the oxidation state 3+. In this work, using polymeric precursor associated with moderate pressure annealing, we show that it is possible to obtain fully oxidized rare earth nickelate with metalinsulator transition. Using thermogravimetric analysis, X-ray diffraction and transmission electronic microscopy we compare different samples synthesized at different oxygen pressures and demonstrate their structural similarity. Thermo-optical properties were measured, in the infrared range, using reflectance measurements and confirmed the metalinsulator transition at 60 °C in both samples.TEM observations lead to the conclusion that the structure commonly obtained at 175 bar is perfectly observed in the 20 bar sample without major structural defects. The two samples exhibit a thermochromic behavior and thermo-optical properties of the two samples are equivalent. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
|
Place of Publication |
London |
Editor |
|
Language |
|
Wos |
000279711200028 |
Publication Date |
2010-05-08 |
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 |
3 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 2.299; 2010 IF: 2.261 |
Call Number |
UA @ lucian @ c:irua:83679 |
Serial |
2156 |
Permanent link to this record |
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|
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 |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
London |
Editor |
|
Language |
|
Wos |
000279638700001 |
Publication Date |
2010-07-09 |
Series Editor |
|
Series Title |
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Abbreviated Series Title |
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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 |
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Author |
Barreca, D.; Gasparotto, A.; Lebedev, O.I.; Maccato, C.; Pozza, A.; Tondello, E.; Turner, S.; Van Tendeloo, G. |
Title |
Controlled vapor-phase synthesis of cobalt oxide nanomaterials with tuned composition and spatial organization |
Type |
A1 Journal article |
Year |
2010 |
Publication |
CrystEngComm |
Abbreviated Journal |
Crystengcomm |
Volume |
12 |
Issue |
7 |
Pages |
2185-2197 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
|
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
|
Wos |
000279627700040 |
Publication Date |
2010-03-10 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1466-8033; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.474 |
Times cited |
85 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 3.474; 2010 IF: 4.006 |
Call Number |
UA @ lucian @ c:irua:83686 |
Serial |
503 |
Permanent link to this record |
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|
|
Author |
Fang, C.M.; van Huis, M.A.; Zandbergen, H.W. |
Title |
Structure and stability of Fe2 phases from density-functional theory calculations |
Type |
A1 Journal article |
Year |
2010 |
Publication |
Scripta materialia |
Abbreviated Journal |
Scripta Mater |
Volume |
63 |
Issue |
4 |
Pages |
418-421 |
Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
Abstract |
Fe(2)C plays a crucial role in the precipitation of iron carbides. Jack's structural models for epsilon-Fe(2)C, and non-stoichiometric epsilon-Fe(2.4)C, are analyzed using first-principles calculations. Several new configurations of epsilon-Fe(2)C with even higher stability are found. We show how epsilon-Fe(2)C transforms into eta-Fe(2)C, and address the structural relationships with the chi-Fe(5)C(2), theta-Fe(3)C and Fe(7)C(3) phases. The relative occurrence of these phases in steel, as well as their probable evolution during tempering of quenched steels, is discussed. (C) 2010 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Oxford |
Editor |
|
Language |
|
Wos |
000279496000017 |
Publication Date |
2010-05-03 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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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 |
32 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 3.747; 2010 IF: 2.820 |
Call Number |
UA @ lucian @ c:irua:95591 |
Serial |
3299 |
Permanent link to this record |
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|
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Author |
Eckert, M.; Neyts, E.; Bogaerts, A. |
Title |
Insights into the growth of (ultra)nanocrystalline diamond by combined molecular dynamics and Monte Carlo simulations |
Type |
A1 Journal article |
Year |
2010 |
Publication |
Crystal growth & design |
Abbreviated Journal |
Cryst Growth Des |
Volume |
10 |
Issue |
7 |
Pages |
3005-3021 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
In this paper, we present the results of combined molecular dynamics−Metropolis Monte Carlo (MD-MMC) simulations of hydrocarbon species at flat diamond (100)2 × 1 and (111)1 × 1 surfaces. The investigated species are considered to be the most important growth species for (ultra)nanocrystalline diamond ((U)NCD) growth. When applying the MMC algorithm to stuck species at monoradical sites, bonding changes are only seen for CH2. The sequence of the bond breaking and formation as put forward by the MMC simulations mimics the insertion of CH2 into a surface dimer as proposed in the standard growth model of diamond. For hydrocarbon species attached to two adjacent radical (biradical) sites, the MMC simulations give rise to significant changes in the bonding structure. For UNCD, the combinations of C3 and C3H2, and C3 and C4H2 (at diamond (100)2 × 1) and C and C2H2 (at diamond (111)1 × 1) are the most successful in nucleating new crystal layers. For NCD, the following combinations pursue the diamond structure the best: C2H2 and C3H2 (at diamond (100)2 × 1) and CH2 and C2H2 (at diamond (111)1 × 1). The different behaviors of the hydrocarbon species at the two diamond surfaces are related to the different sterical hindrances at the diamond surfaces. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
|
Editor |
|
Language |
|
Wos |
000279422700032 |
Publication Date |
2010-05-25 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1528-7483;1528-7505; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
4.055 |
Times cited |
13 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 4.055; 2010 IF: 4.390 |
Call Number |
UA @ lucian @ c:irua:83065 |
Serial |
1675 |
Permanent link to this record |
|
|
|
Author |
Li, Y.; Tan, H.; Lebedev, O.; Verbeeck, J.; Biermans, E.; Van Tendeloo, G.; Su, B.-L. |
Title |
Insight into the growth of multiple branched MnOOH nanorods |
Type |
A1 Journal article |
Year |
2010 |
Publication |
Crystal growth & design |
Abbreviated Journal |
Cryst Growth Des |
Volume |
10 |
Issue |
7 |
Pages |
2969-2976 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
Multiple branched manganese oxide hydroxide (MnOOH) nanorods prepared by a hydrothermal process were extensively studied by transmission electron microscopy (TEM). A model of the branch formation is proposed together with a study of the interface structure. The sword-like tip plays a crucial role for the nanorods to form different shapes. Importantly, the branching occurs at an angle of around either 57 degrees or 123 degrees. Specifically, a (111) twin plane can only be formed at the interface with a 123 degrees angle. The interfaces formed with a 57 degrees angle usually contain edge dislocations. Electron energy loss spectroscopy (EELS) demonstrates that the whole crystal has a uniform chemical composition. Interestingly, an epitaxial growth of Mn3O4 at the radial surface was also observed under electron beam irradiation; this is because of the rough purification of the products. The proposed mechanism is expected to shed light on the branched/dendrite nanostructure growth and to provide opportunities for further novel nanomaterial structure growth and design. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
|
Editor |
|
Language |
|
Wos |
000279422700027 |
Publication Date |
2010-06-08 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1528-7483;1528-7505; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
4.055 |
Times cited |
41 |
Open Access |
|
Notes |
Fwo; Esteem 026019 |
Approved |
Most recent IF: 4.055; 2010 IF: 4.390 |
Call Number |
UA @ lucian @ c:irua:83886UA @ admin @ c:irua:83886 |
Serial |
1672 |
Permanent link to this record |
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|
|
Author |
Neek-Amal, M.; Peeters, F.M. |
Title |
Linear reduction of stiffness and vibration frequencies in defected circular monolayer graphene |
Type |
A1 Journal article |
Year |
2010 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
81 |
Issue |
23 |
Pages |
11 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
|
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
|
Editor |
|
Language |
|
Wos |
000279336000001 |
Publication Date |
2010-06-29 |
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 |
44 |
Open Access |
|
Notes |
; Financial support was provided by the Hungarian Research Foundation (Contracts No. OTKA K68312, No. K77771, No. K73361, and No. F68726). ; |
Approved |
Most recent IF: 3.836; 2010 IF: 3.774 |
Call Number |
UA @ lucian @ c:irua:83857 |
Serial |
1820 |
Permanent link to this record |
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|
|
Author |
Ferreira, W.P.; Farias, G.A.; Peeters, F.M. |
Title |
A two-component mixture of charged particles confined in a channel: melting |
Type |
A1 Journal article |
Year |
2010 |
Publication |
Journal of physics : condensed matter |
Abbreviated Journal |
J Phys-Condens Mat |
Volume |
22 |
Issue |
28 |
Pages |
11 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
The melting of a binary system of charged particles confined in a quasi-one-dimensional parabolic channel is studied through Monte Carlo simulations. At zero temperature the particles are ordered in parallel chains. The melting is anisotropic and different melting temperatures are obtained according to the spatial direction, and the different kinds of particles present in the system. Melting is very different for the single-, two- and four-chain configurations. A temperature induced structural phase transition is found between two different four-chain ordered states which is absent in the mono-disperse system. In the mixed regime, where the two kinds of particles are only slightly different, melting is almost isotropic and a thermally induced homogeneous distribution of the distinct kinds of charges is observed. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
London |
Editor |
|
Language |
|
Wos |
000279257300023 |
Publication Date |
2010-06-16 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0953-8984;1361-648X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.649 |
Times cited |
10 |
Open Access |
|
Notes |
; This work was supported by CNPq, the Flemish Science Foundation (FWO-V1) and the bilateral program between Flanders and Brazil. ; |
Approved |
Most recent IF: 2.649; 2010 IF: 2.332 |
Call Number |
UA @ lucian @ c:irua:83862 |
Serial |
3771 |
Permanent link to this record |
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|
|
Author |
Janssens, K.; de Nolf, W.; van der Snickt, G.; Vincze, L.; Vekemans, B.; Terzano, R.; Brenker, F.E. |
Title |
Recent trends in quantitative aspects of microscopic X-ray fluorescence analysis |
Type |
A1 Journal article |
Year |
2010 |
Publication |
Trends in analytical chemistry |
Abbreviated Journal |
Trac-Trend Anal Chem |
Volume |
29 |
Issue |
6 |
Pages |
464-478 |
Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
Abstract |
|
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
|
Editor |
|
Language |
|
Wos |
000279235000014 |
Publication Date |
2010-03-23 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0165-9936 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
8.442 |
Times cited |
48 |
Open Access |
|
Notes |
; This research was supported by the Interuniversity Attraction Poles Programme-Belgian Science Policy (IUAP VI/16). The text also presents results of FWO (Brussels, Belgium) projects nr. G.0704.08 and G.0179.09 and from the UA-BOF GOA programme. ; |
Approved |
Most recent IF: 8.442; 2010 IF: 6.602 |
Call Number |
UA @ admin @ c:irua:83903 |
Serial |
5806 |
Permanent link to this record |
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|
|
Author |
King, G.; Abakumov, A.M.; Hadermann, J.; Alekseeva, A.M.; Rozova, M.G.; Perkisas, T.; Woodward, P.M.; Van Tendeloo, G.; Antipov, E.V. |
Title |
Crystal structure and phase transitions in Sr3WO6 |
Type |
A1 Journal article |
Year |
2010 |
Publication |
Inorganic chemistry |
Abbreviated Journal |
Inorg Chem |
Volume |
49 |
Issue |
13 |
Pages |
6058-6065 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
The crystal structures of the beta and gamma polymorphs of Sr3WO6 and the gamma <->beta phase transition have been investigated using electron diffraction, synchrotron X-ray powder diffraction, and neutron powder diffraction. The gamma-Sr3WO6 polymorph is stable above T-c approximate to 470 K and adopts a monoclinically distorted double perovskite A(2)BB'O-6= Sr2SrWO6 structure (space group Cc, a = 10.2363(1)angstrom, b= 17.9007(1)angstrom, c= 11.9717(1)angstrom, beta=125.585(1)degrees at T= 1373 K, Z=12, corresponding to a = a(p)+1/2b(p) – 1/2c(p), b =3/2b(p) + 3/2c(p), c =-b(p) + c(p), a(p),b(p), c(p), lattice vectors of the parent Fm (3) over barm double perovskite structure). Upon cooling it undergoes a continuous phase transition into the triclinically distorted beta-Sr3WO6 phase (space group Cl, a = 10.09497(3)angstrom, b = 17.64748(5)angstrom, c = 11.81400(3)angstrom, alpha = 89.5470(2)degrees, beta= 125.4529(2)degrees, gamma =90.2889(2)degrees at T= 300 K). Both crystal structures of Sr3WO6 belong to a family of double perovskites with broken corner sharing connectivity of the octahedral framework. A remarkable feature of the gamma-Sr3WO6 structure is a non-cooperative rotation of the WO6 octahedra. One third of the WO6 octahedra are rotated by 45 about either the bp or the cp axis of the parent double perovskite structure. As a result, the WO6 octahedra do not share corners but instead share edges with the coordination polyhedra of the Sr cations at the B positions increasing their coordination number from 6 to 7 or 8. The crystal structure of the beta-phase is very close to the structure of the gamma-phase; decreasing symmetry upon the gamma ->beta transformation occurs because of unequal octahedral rotation angles about the bp and cp axes and increasing distortions of the WO6 octahedra. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
Easton, Pa |
Editor |
|
Language |
|
Wos |
000279211500036 |
Publication Date |
2010-06-09 |
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 |
18 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 4.857; 2010 IF: 4.326 |
Call Number |
UA @ lucian @ c:irua:83877 |
Serial |
562 |
Permanent link to this record |
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|
|
Author |
Ao, Z.M.; Peeters, F.M. |
Title |
Electric field: A catalyst for hydrogenation of graphene |
Type |
A1 Journal article |
Year |
2010 |
Publication |
Applied physics letters |
Abbreviated Journal |
Appl Phys Lett |
Volume |
96 |
Issue |
25 |
Pages |
3 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
Due to the importance of hydrogenation of graphene for several applications, we present an alternative approach to hydrogenate graphene based on density functional theory calculations. We find that a negative perpendicular electric field F can act as a catalyst to reduce the energy barrier for molecular H<sub>2</sub> dissociative adsorption on graphene. Increasing -F above 0.02 a.u. (1 a.u.=5.14×10<sup>11</sup> V/m), this hydrogenation process occurs smoothly without any potential barrier. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
|
Language |
|
Wos |
000279168100052 |
Publication Date |
2010-06-23 |
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 |
88 |
Open Access |
|
Notes |
; This work was supported by the Flemish Science Foundation (FWO-Vl) and the Belgian Science Policy (IAP). ; |
Approved |
Most recent IF: 3.411; 2010 IF: 3.841 |
Call Number |
UA @ lucian @ c:irua:83924 |
Serial |
881 |
Permanent link to this record |
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|
|
Author |
Lorenz, H.; Zhao, Q.; Turner, S.; Lebedev, O.I.; Van Tendeloo, G.; Kloetzer, B.; Rameshan, C.; Pfaller, K. |
Title |
Origin of different deactivation of Pd/SnO2 and Pd/GeO2 catalysts in methanol dehydrogenation and reforming: a comparative study |
Type |
A1 Journal article |
Year |
2010 |
Publication |
Applied catalysis : A : general |
Abbreviated Journal |
Appl Catal A-Gen |
Volume |
381 |
Issue |
1/2 |
Pages |
242-252 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
Pd particles supported on SnO2 and GeO2 have been structurally investigated by X-ray diffraction, (High-Resolution) transmission and scanning electron microscopy after different reductive treatments to monitor the eventual formation of bimetallic phases and catalytically tested in methanol dehydrogenation/ reforming. For both oxides this included a thin film sample with well-defined Pd particles and a powder catalyst prepared by incipient wetness impregnation. The hexagonal and the tetragonal polymorph were studied for powder GeO2. Pd2Ge formation was observed on all GeO2-supported catalysts, strongly depending on the specific sample used. Reduction of the thin film at 573K resulted in full transformation into the bimetallic state. The partial solubility of hexagonal GeO2 in water and its thermal structural instability yielded Pd2Ge formation at 473 K, at the cost of a structurally inhomogeneous support and Ge metal formation at higher reduction temperatures. Pd on tetragonal GeO2 entered a state of strong metalsupport interaction after reduction at 573673 K, resulting in coalescing Pd2Ge particles on a sintered and re-crystallized support, apparently partially covering the bimetallic particles and decreasing the catalytic activity. Pd2Ge on amorphous thin film and hexagonal GeO2 converted methanol primarily via dehydrogenation to CO and H2. At 573 K, formation of Pd2Sn and also PdSn occurred on the Pd/SnO2 thin film. Pd3Sn2 (and to some extent Pd2Sn) were predominantly obtained on the respective powder catalyst. Strong deactivation with increasing reduction temperature was observed, likely not based on the classical strong metalsupport interaction effect, but rather on a combination of missing active structural ensembles on Sn-enriched bimetallic phases and the formation of metallic -Sn. Correlations to Pd and its bimetallics supported on ZnO, Ga2O3 and In2O3 were also discussed. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
Amsterdam |
Editor |
|
Language |
|
Wos |
000279100700029 |
Publication Date |
2010-04-26 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0926-860X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
4.339 |
Times cited |
14 |
Open Access |
|
Notes |
Esteem 026019 |
Approved |
Most recent IF: 4.339; 2010 IF: 3.384 |
Call Number |
UA @ lucian @ c:irua:83927 |
Serial |
2522 |
Permanent link to this record |
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|
|
Author |
van den Broek, W.; Van Aert, S.; van Dyck, D. |
Title |
A model based reconstruction technique for depth sectioning with scanning transmission electron microscopy |
Type |
A1 Journal article |
Year |
2010 |
Publication |
Ultramicroscopy |
Abbreviated Journal |
Ultramicroscopy |
Volume |
110 |
Issue |
5 |
Pages |
548-554 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Vision lab |
Abstract |
Depth sectioning in high angular annular dark field scanning transmission electron microscopy is considered a candidate for three-dimensional characterization on the atomic scale. However at present the depth resolution is still far from the atomic level, due to strong limitations in the opening angle of the beam. In this paper we introduce a new, parameter based tomographic reconstruction algorithm that allows to make maximal use of the prior knowledge about the constituent atom types and the microscope settings, so as to retrieve the atomic positions and push the resolution to the atomic level in all three dimensions. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
Amsterdam |
Editor |
|
Language |
|
Wos |
000279065700022 |
Publication Date |
2009-09-21 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0304-3991; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.843 |
Times cited |
16 |
Open Access |
|
Notes |
Fwo |
Approved |
Most recent IF: 2.843; 2010 IF: 2.063 |
Call Number |
UA @ lucian @ c:irua:83690 |
Serial |
2104 |
Permanent link to this record |
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|
|
Author |
Wang, A.; Chen, F.R.; Van Aert, S.; van Dyck, D. |
Title |
Direct structure inversion from exit waves: part 1: theory and simulations |
Type |
A1 Journal article |
Year |
2010 |
Publication |
Ultramicroscopy |
Abbreviated Journal |
Ultramicroscopy |
Volume |
110 |
Issue |
5 |
Pages |
527-534 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Vision lab |
Abstract |
In order to interpret the amplitude and phase of the exit wave in terms of mass and position of the atoms, one has to invert the dynamic scattering of the electrons in the object so as to obtain a starting structure which can then be used as a seed for further quantitative structure refinement. This is especially challenging in case of a zone axis condition when the interaction of the electrons with the atom column is very strong. Based on the channelling theory we will show that the channelling map not only yields a circle on the Argand plot but also a circular defocus curve for every column. The former gives the number of atoms in each column, while the latter provides the defocus value for each column, which reveals the surface roughness at the exit plane with single atom sensitivity. |
Address |
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Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
Amsterdam |
Editor |
|
Language |
|
Wos |
000279065700019 |
Publication Date |
2009-12-12 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0304-3991; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.843 |
Times cited |
25 |
Open Access |
|
Notes |
Fwo |
Approved |
Most recent IF: 2.843; 2010 IF: 2.063 |
Call Number |
UA @ lucian @ c:irua:83691 |
Serial |
723 |
Permanent link to this record |
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|
|
Author |
Bogaerts, A.; De Bie, C.; Eckert, M.; Georgieva, V.; Martens, T.; Neyts, E.; Tinck, S. |
Title |
Modeling of the plasma chemistry and plasmasurface interactions in reactive plasmas |
Type |
A1 Journal article |
Year |
2010 |
Publication |
Pure and applied chemistry |
Abbreviated Journal |
Pure Appl Chem |
Volume |
82 |
Issue |
6 |
Pages |
1283-1299 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
In this paper, an overview is given of modeling activities going on in our research group, for describing the plasma chemistry and plasmasurface interactions in reactive plasmas. The plasma chemistry is calculated by a fluid approach or by hybrid Monte Carlo (MC)fluid modeling. An example of both is illustrated in the first part of the paper. The example of fluid modeling is given for a dielectric barrier discharge (DBD) in CH4/O2, to describe the partial oxidation of CH4 into value-added chemicals. The example of hybrid MCfluid modeling concerns an inductively coupled plasma (ICP) etch reactor in Ar/Cl2/O2, including also the description of the etch process. The second part of the paper deals with the treatment of plasmasurface interactions on the atomic level, with molecular dynamics (MD) simulations or a combination of MD and MC simulations. |
Address |
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Corporate Author |
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Thesis |
|
Publisher |
|
Place of Publication |
London |
Editor |
|
Language |
|
Wos |
000279063900010 |
Publication Date |
2010-04-21 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1365-3075;0033-4545; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.626 |
Times cited |
13 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 2.626; 2010 IF: 2.134 |
Call Number |
UA @ lucian @ c:irua:82108 |
Serial |
2134 |
Permanent link to this record |
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|
|
Author |
Depla, D.; Li, X.Y.; Mahieu, S.; van Aeken, K.; Leroy, W.P.; Haemers, J.; de Gryse, R.; Bogaerts, A. |
Title |
Rotating cylindrical magnetron sputtering: simulation of the reactive process |
Type |
A1 Journal article |
Year |
2010 |
Publication |
Journal of applied physics |
Abbreviated Journal |
J Appl Phys |
Volume |
107 |
Issue |
11 |
Pages |
113307,1-113307,9 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
A rotating cylindrical magnetron consists of a cylindrical tube, functioning as the cathode, which rotates around a stationary magnet assembly. In stationary mode, the cylindrical magnetron behaves similar to a planar magnetron with respect to the influence of reactive gas addition to the plasma. However, the transition from metallic mode to poisoned mode and vice versa depends on the rotation speed. An existing model has been modified to simulate the influence of target rotation on the well known hysteresis behavior during reactive magnetron sputtering. The model shows that the existing poisoning mechanisms, i.e., chemisorption, direct reactive ion implantation and knock on implantation, are insufficient to describe the poisoning behavior of the rotating target. A better description of the process is only possible by including the deposition of sputtered material on the target. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
|
Language |
|
Wos |
000278907100020 |
Publication Date |
2010-06-07 |
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 |
15 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 2.068; 2010 IF: 2.079 |
Call Number |
UA @ lucian @ c:irua:82631 |
Serial |
2930 |
Permanent link to this record |
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|
|
Author |
Gou, F.; Neyts, E.; Eckert, M.; Tinck, S.; Bogaerts, A. |
Title |
Molecular dynamics simulations of Cl+ etching on a Si(100) surface |
Type |
A1 Journal article |
Year |
2010 |
Publication |
Journal of applied physics |
Abbreviated Journal |
J Appl Phys |
Volume |
107 |
Issue |
11 |
Pages |
113305,1-113305,6 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
Molecular dynamics simulations using improved TersoffBrenner potential parameters were performed to investigate Cl+ etching of a {2×1} reconstructed Si(100) surface. Steady-state Si etching accompanying the Cl coverage of the surface is observed. Furthermore, a steady-state chlorinated reaction layer is formed. The thickness of this reaction layer is found to increase with increasing energy. The stoichiometry of SiClx species in the reaction layer is found to be SiCl:SiCl2:SiCl3 = 1.0:0.14:0.008 at 50 eV. These results are in excellent agreement with available experimental data. While elemental Si products are created by physical sputtering, most SiClx (0<x<4) etch products are produced by chemical-enhanced physical sputtering. |
Address |
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Corporate Author |
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Thesis |
|
Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
|
Language |
|
Wos |
000278907100018 |
Publication Date |
2010-06-04 |
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 |
15 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 2.068; 2010 IF: 2.079 |
Call Number |
UA @ lucian @ c:irua:82663 |
Serial |
2175 |
Permanent link to this record |
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|
|
Author |
Geurts, R.; Milošević, M.V.; Peeters, F.M. |
Title |
Vortex matter in mesoscopic two-gap superconducting disks: influence of Josephson and magnetic coupling |
Type |
A1 Journal article |
Year |
2010 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
81 |
Issue |
21 |
Pages |
15 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
|
Address |
|
Corporate Author |
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Thesis |
|
Publisher |
|
Place of Publication |
|
Editor |
|
Language |
|
Wos |
000278846600001 |
Publication Date |
2010-06-21 |
Series Editor |
|
Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
|
ISSN |
1098-0121;1550-235X; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.836 |
Times cited |
89 |
Open Access |
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Notes |
; This work was supported by the Flemish Science Foundation (FWO-Vlaanderen), the Belgian Science Policy (IAP), the ESF “Nanoscience and Engineering in Superconductivity” (NES) program, and the ESF “Arrays of Quantum Dots and Josephson Junctions” network. ; |
Approved |
Most recent IF: 3.836; 2010 IF: 3.774 |
Call Number |
UA @ lucian @ c:irua:83933 |
Serial |
3872 |
Permanent link to this record |
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Author |
Janssens, K.; Dik, J.; Cotte, M.; Susini, J. |
Title |
Photon-based techniques for nondestructive subsurface analysis of painted cultural heritage artifacts |
Type |
A1 Journal article |
Year |
2010 |
Publication |
Accounts of chemical research |
Abbreviated Journal |
Accounts Chem Res |
Volume |
43 |
Issue |
6 |
Pages |
814-825 |
Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
Abstract |
Often, just micrometers below a paintings surface lies a wealth of information, both with Old Masters such as Peter Paul Rubens and Rembrandt van Rijn and with more recent artists of great renown such as Vincent Van Gogh and James Ensor. Subsurface layers may include underdrawing, underpainting, and alterations, and in a growing number of cases conservators have discovered abandoned compositions on paintings, illustrating artists practice of reusing a canvas or panel. The standard methods for studying the inner structure of cultural heritage (CH) artifacts are infrared reflectography and X-ray radiography, techniques that are optionally complemented with the microscopic analysis of cross-sectioned samples. These methods have limitations, but recently, a number of fundamentally new approaches for fully imaging the buildup of hidden paint layers and other complex three-dimensional (3D) substructures have been put into practice. In this Account, we discuss these developments and their recent practical application with CH artifacts. We begin with a tabular summary of 14 IR- and X-ray-based imaging methods and then continue with a discussion of each technique, illustrating CH applications with specific case studies. X-ray-based tomographic and laminographic techniques can be used to generate 3D renditions of artifacts of varying dimensions. These methods are proving invaluable for exploring inner structures, identifying the conservation state, and postulating the original manufacturing technology of metallic and other sculptures. In the analysis of paint layers, terahertz time-domain spectroscopy (THz-TDS) can highlight interfaces between layers in a stratigraphic buildup, whereas macrosopic scanning X-ray fluorescence (MA-XRF) has been employed to measure the distribution of pigments within these layers. This combination of innovative methods provides topographic and color information about the micrometer depth scale, allowing us to look into paintings in an entirely new manner. Over the past five years, several new variants of traditional IR- and X-ray-based imaging methods have been implemented by conservators and museums, and the first reports have begun to emerge in the primary research literature. Applying these state-of-the-art techniques in a complementary fashion affords a more comprehensive view of paintings and other artworks. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000278842500013 |
Publication Date |
2010-05-12 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
|
ISSN |
0001-4842 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
20.268 |
Times cited |
78 |
Open Access |
|
Notes |
; This research was supported by the Interuniversity Attraction Poles Programme-Belgian Science Policy (IUAP VI/16). The text also presents results of FWO (Brussels, Belgium) projects nr. G.0704.08 and G.0179.09 and from the UA-BOF GOA programme. ; |
Approved |
Most recent IF: 20.268; 2010 IF: 21.852 |
Call Number |
UA @ admin @ c:irua:83983 |
Serial |
5772 |
Permanent link to this record |
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Author |
Cotte, M.; Susini, J.; Dik, J.; Janssens, K. |
Title |
Synchrotron-based X-ray absorption spectroscopy for art conservation: looking back and looking forward |
Type |
A1 Journal article |
Year |
2010 |
Publication |
Accounts of chemical research |
Abbreviated Journal |
Accounts Chem Res |
Volume |
43 |
Issue |
6 |
Pages |
705-714 |
Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
Abstract |
A variety of analytical techniques augmented by the use of synchrotron radiation (SR), such as X-ray fluorescence (SR-XRF) and X-ray diffraction (SR-XRD), are now readily available, and they differ little, conceptually, from their common laboratory counterparts. Because of numerous advantages afforded by SR-based techniques over benchtop versions, however, SR methods have become popular with archaeologists, art historians, curators, and other researchers in the field of cultural heritage (CH). Although the CH community now commonly uses both SR-XRF and SR-XRD, the use of synchrotron-based X-ray absorption spectroscopy (SR-XAS) techniques remains marginal, mostly because CH specialists rarely interact with SR physicists. In this Account, we examine the basic principles and capabilities of XAS techniques in art preservation. XAS techniques offer a combination of features particularly well-suited for the chemical analysis of works of art. The methods are noninvasive, have low detection limits, afford high lateral resolution, and provide exceptional chemical sensitivity. These characteristics are highly desirable for the chemical characterization of precious, heterogeneous, and complex materials. In particular, the chemical mapping capability, with high spatial resolution that provides information about local composition and chemical states, even for trace elements, is a unique asset. The chemistry involved in both the objects history (that is, during fabrication) and future (that is, during preservation and restoration treatments) can be addressed by XAS. On the one hand, many studies seek to explain optical effects occurring in historical glasses or ceramics by probing the molecular environment of relevant chromophores. Hence, XAS can provide insight into craft skills that were mastered years, decades, or centuries ago but were lost over the course of time. On the other hand, XAS can also be used to characterize unwanted reactions, which are then considered alteration phenomena and can dramatically alter the objects original visual properties. In such cases, the bulk elemental composition is usually unchanged. Hence, monitoring oxidation state (or, more generally, other chemical modifications) can be of great importance. Recent applications of XAS in art conservation are reviewed and new trends are discussed, highlighting the value (and future possibilities) of XAS, which remains, given its potential, underutilized in the CH community. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Language |
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Wos |
000278842500003 |
Publication Date |
2010-01-08 |
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 |
0001-4842 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
20.268 |
Times cited |
74 |
Open Access |
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Notes |
; ; |
Approved |
Most recent IF: 20.268; 2010 IF: 21.852 |
Call Number |
UA @ admin @ c:irua:83982 |
Serial |
5861 |
Permanent link to this record |
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Author |
Tirry, W.; Coghe, F.; Bouvier, S.; Gasperini, M.; Rabet, L.; Schryvers, D. |
Title |
A multi-scale characterization of deformation twins in Ti6Al4V sheet material deformed by simple shear |
Type |
A1 Journal article |
Year |
2010 |
Publication |
Materials science and engineering: part A: structural materials: properties, microstructure and processing |
Abbreviated Journal |
Mat Sci Eng A-Struct |
Volume |
527 |
Issue |
16/17 |
Pages |
4136-4145 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
Ti6Al4V sheet material is subjected to simple shear deformation with strain ratio's of 10%, 30% and 50%. Optical microscopy, transmission electron microscopy and electron backscatter diffraction techniques are applied to study the presence and morphology of deformation twins. Only the View the MathML source type of twins seems to be present with a volume fraction below 1%. These View the MathML source twins show a high density of basal stacking faults of the ABABACAC type identified using atomic resolution transmission electron microscopy. A resolved shear stress analysis shows that twins most often occur on those planes with the highest resolved shear stresses, but that the starting texture is not beneficial for the occurrence of twins. It is further suggested that a transitory strain hardening regime observed around 530 MPa might be related with the onset of twinning. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Lausanne |
Editor |
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Wos |
000278766800068 |
Publication Date |
2010-03-23 |
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 |
0921-5093; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.094 |
Times cited |
20 |
Open Access |
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Notes |
Iap |
Approved |
Most recent IF: 3.094; 2010 IF: 2.101 |
Call Number |
UA @ lucian @ c:irua:82291 |
Serial |
2212 |
Permanent link to this record |
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Author |
El Shinawi, H.; Bertha, A.; Hadermann, J.; Herranz, T.; Santos, B.; Marco, J.F.; Berry, F.J.; Greaves, C. |
Title |
Synthesis and characterization of La1+xSr2-xCoMnO7-\delta (x=0,0.2; \delta=0,1) |
Type |
A1 Journal article |
Year |
2010 |
Publication |
Journal of solid state chemistry |
Abbreviated Journal |
J Solid State Chem |
Volume |
183 |
Issue |
6 |
Pages |
1347-1353 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
The n=2 Ruddlesden-Popper phases LaSr(2)CoMnO(7) and La(1 2)Sr(1 8)CoMnO(7) have been synthesized by a sol-gel method The O6-type phases LaSr(2)CoMnO(6) and La(1 2)Sr(1 8)CoMnO(6) were produced by reduction of the 07 phases under a hydrogen atmosphere The materials crystallize in the tetragonal I4/mmm space group with no evidence of long-range cation order in the neutron and electron diffraction data Oxygen vacancies in the reduced materials are located primarily at the common apex of the double perovskite layers giving rise to square pyramidal coordination around cobalt and manganese ions. The oxidation states Co(3+)/Mn(4+) and Co(2+)/Mn(3+) predominate in the as-prepared and reduced materials, respectively The materials are spin glasses at low temperature and the dominant magnetic interactions change from ferro- to antiferromagnetic following reduction (C) 2010 Elsevier Inc All rights reserved |
Address |
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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 |
000278750100021 |
Publication Date |
2010-04-17 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0022-4596; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.299 |
Times cited |
5 |
Open Access |
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Notes |
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Approved |
Most recent IF: 2.299; 2010 IF: 2.261 |
Call Number |
UA @ lucian @ c:irua:99209 |
Serial |
3417 |
Permanent link to this record |
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Author |
Neek-Amal, M.; Peeters, F.M. |
Title |
Nanoindentation of a circular sheet of bilayer graphene |
Type |
A1 Journal article |
Year |
2010 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
81 |
Issue |
23 |
Pages |
235421,1-235421,6 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
Nanoindentation of bilayer graphene is studied using molecular-dynamics simulations. We compared our simulation results with those from elasticity theory as based on the nonlinear Föppl-Hencky equations with rigid boundary condition. The force-deflection values of bilayer graphene are compared to those of monolayer graphene. Youngs modulus of bilayer graphene is estimated to be 0.8 TPa which is close to the value for graphite. Moreover, an almost flat bilayer membrane at low temperature under central load has a 14% smaller Youngs modulus as compared to the one at room temperature. |
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Publisher |
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Place of Publication |
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Language |
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Wos |
000278710800003 |
Publication Date |
2010-06-11 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1098-0121;1550-235X; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.836 |
Times cited |
108 |
Open Access |
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Notes |
; We gratefully acknowledge comments from R. Asgari. M.N.-A. would like to thank the Universiteit of Antwerpen for its hospitality where part of this work was performed. This work was supported by the Flemish science foundation (FWO-V1) and the Belgium Science Policy (IAP). ; |
Approved |
Most recent IF: 3.836; 2010 IF: 3.774 |
Call Number |
UA @ lucian @ c:irua:83093 |
Serial |
2259 |
Permanent link to this record |