Records |
Author |
Varley, J.B.; Peelaers, H.; Janotti, A.; van de Walle, C.G. |
Title |
Hydrogenated cation vacancies in semiconducting oxides |
Type |
A1 Journal article |
Year |
2011 |
Publication |
Journal of physics : condensed matter |
Abbreviated Journal |
J Phys-Condens Mat |
Volume |
23 |
Issue |
33 |
Pages |
334212,1-334212,9 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
Using first-principles calculations we have studied the electronic and structural properties of cation vacancies and their complexes with hydrogen impurities in SnO2, In2O3 and β-Ga2O3. We find that cation vacancies have high formation energies in SnO2 and In2O3 even in the most favorable conditions. Their formation energies are significantly lower in β-Ga2O3. Cation vacancies, which are compensating acceptors, strongly interact with H impurities resulting in complexes with low formation energies and large binding energies, stable up to temperatures over 730 °C. Our results indicate that hydrogen has beneficial effects on the conductivity of transparent conducting oxides: it increases the carrier concentration by acting as a donor in the form of isolated interstitials, and by passivating compensating acceptors such as cation vacancies; in addition, it potentially enhances carrier mobility by reducing the charge of negatively charged scattering centers. We have also computed vibrational frequencies associated with the isolated and complexed hydrogen, to aid in the microscopic identification of centers observed by vibrational spectroscopy. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
London |
Editor |
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Language |
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Wos |
000294060600014 |
Publication Date ![sorted by Publication Date field, descending order (down)](img/sort_desc.gif) |
2011-08-04 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0953-8984;1361-648X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.649 |
Times cited |
125 |
Open Access |
|
Notes |
; We gratefully acknowledge useful discussions with M D Mc-Cluskey, O Bierwagen and J Speck. The work was supported by the NSF MRSEC Program (DMR05-20415), the Flemish Science Foundation (FWO-VI), the Belgian American Educational Foundation, and by Saint-Gobain Research, and made use of computing facilities at CNSI (NSF grant No. CHE-0321368), TeraGrid and TACC (NSF grant No. DMR070072N), and NERSC (DOE Office of Science Contract No. DE-AC02-05CH11231). ; |
Approved |
Most recent IF: 2.649; 2011 IF: 2.546 |
Call Number |
UA @ lucian @ c:irua:92415 |
Serial |
1534 |
Permanent link to this record |
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|
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Author |
Shestakov, M.V.; Tikhomirov, V.K.; Kirilenko, D.; Kuznetsov, A.S.; Chibotaru, L.F.; Baranov, A.N.; Van Tendeloo, G.; Moshchalkov, V.V. |
Title |
Quantum cutting in Li (770 nm) and Yb (1000 nm) co-dopant emission bands by energy transfer from the ZnO nano-crystalline host |
Type |
A1 Journal article |
Year |
2011 |
Publication |
Optics express |
Abbreviated Journal |
Opt Express |
Volume |
19 |
Issue |
17 |
Pages |
15955-15964 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
Li-Yb co-doped nano-crystalline ZnO has been synthesized by a method of thermal growth from the salt mixtures. X-ray diffraction, transmission electron microscopy, atomic absorption spectroscopy and optical spectroscopy confirm the doping and indicate that the dopants may form Li-Li and Yb3+-Li based nanoclusters. When pumped into the conduction and exciton absorption bands of ZnO between 250 to 425 nm, broad emission bands of about 100 nm half-height-width are excited around 770 and 1000 nm, due to Li and Yb dopants, respectively. These emission bands are activated by energy transfer from the ZnO host mostly by quantum cutting processes, which generate pairs of quanta in Li (770 nm) and Yb (1000 nm) emission bands, respectively, out of one quantum absorbed by the ZnO host. These quantum cutting phenomena have great potential for application in the down-conversion layers coupled to the Si solar cells. |
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 |
000293894900033 |
Publication Date ![sorted by Publication Date field, descending order (down)](img/sort_desc.gif) |
2011-08-04 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
|
Edition |
|
ISSN |
1094-4087; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.307 |
Times cited |
19 |
Open Access |
|
Notes |
FWO; Methusalem |
Approved |
Most recent IF: 3.307; 2011 IF: 3.587 |
Call Number |
UA @ lucian @ c:irua:92428 |
Serial |
2776 |
Permanent link to this record |
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Author |
De Wael, K.; Bashir, Q.; van Vlierberghe, S.; Dubruel, P.; Heering, H.A.; Adriaens, A. |
Title |
Electrochemical determination of hydrogen peroxide with cytochrome c peroxidase and horse heart cytochrome c entrapped in a gelatin hydrogel |
Type |
A1 Journal article |
Year |
2012 |
Publication |
Bioelectrochemistry: an international journal devoted to electrochemical aspects of biology and biological aspects of electrochemistry |
Abbreviated Journal |
Bioelectrochemistry |
Volume |
83 |
Issue |
|
Pages |
15-18 |
Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
Abstract |
A novel and versatile method, based on a membrane-free enzyme electrode in which both the enzyme and a mediator protein are entrapped in a gelatine hydrogel was developed for the fabrication of biosensors. As a proof of principle, we prepared a hydrogen peroxide biosensor by successfully entrapping both horse heart cytochrome c (HHC) and Saccharomyces cerevisae cytochrome c peroxidase (CCP) in a gelatin matrix which is immobilized on a gold electrode. This electrode was first pretreated with 6-mercaptohexanol. The biosensor displayed a rapid response and an expanded linear response range from 0 to 0.3 mM (R = 0.987) with a detection limit of 1 × 10− 5 M in a HEPES buffer solution (pH 7.0). This method of encapsulation is now further investigated for industrial biosensor applications. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000297962500003 |
Publication Date ![sorted by Publication Date field, descending order (down)](img/sort_desc.gif) |
2011-08-03 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1567-5394 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.346 |
Times cited |
31 |
Open Access |
|
Notes |
; Karolien De Wael is grateful to the Research Foundation-Flanders (FWO, Belgium) for her postdoctoral fellowship. ; |
Approved |
Most recent IF: 3.346; 2012 IF: 3.947 |
Call Number |
UA @ admin @ c:irua:92067 |
Serial |
5589 |
Permanent link to this record |
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Author |
Özen, M.; Mertens, M.; Luyten, J.; Snijkers, F.; d' Hondt, H.; Cool, P. |
Title |
Hydrothermal synthesis of carbonate-free submicron-sized barium titanate from an amorphous precursor : synthesis and characterization |
Type |
A1 Journal article |
Year |
2012 |
Publication |
Ceramics international |
Abbreviated Journal |
Ceram Int |
Volume |
38 |
Issue |
1 |
Pages |
619-625 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Laboratory of adsorption and catalysis (LADCA) |
Abstract |
In this paper, the amorphous barium titanate precursor was prepared by the peroxo-hydroxide method and post-treated by various drying procedures, such as: room temperature drying, room temperature vacuum drying and vacuum drying at 50 degrees C. The objective in the latter two treatments was to increase the Ti-O-Ba bonds of the precursor. The post-treated precursors were compared with the untreated (i.e., 'wet') precursor. Also, a barium titanate precursor was prepared by an alkoxide route. Afterwards, the precursors were hydrothermally treated at 200 degrees C in a 10 M NaOH solution. Vacuum drying of the precursor seemingly promoted the formation of Ti-O-Ti bonds in the hydrothermal end-product. The low Ba:Ti ratio (0.66) of the alkoxide-route prepared precursor lead to a multi-phase hydrothermal product with BaTiO(3) as the main phase. In contrast, phase pure BaTiO(3), i.e. without BaCO(3) contamination, was obtained for the precursor which was dried at room temperature. Cube-shaped and highly crystalline BaTiO(3) particles were observed by electron microscopy for the hydrothermally treated peroxo-hydroxide-route prepared precursor. (C) 2011 Elsevier Ltd and Techna Group S.r.l. 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 |
Barking |
Editor |
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Language |
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Wos |
000298766900083 |
Publication Date ![sorted by Publication Date field, descending order (down)](img/sort_desc.gif) |
2011-08-02 |
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 |
0272-8842; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.986 |
Times cited |
14 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 2.986; 2012 IF: 1.789 |
Call Number |
UA @ lucian @ c:irua:96263 |
Serial |
1541 |
Permanent link to this record |
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Author |
Delabie, A.; Sioncke, S.; Rip, J.; van Elshocht, S.; Caymax, M.; Pourtois, G.; Pierloot, K. |
Title |
Mechanisms for the trimethylaluminum reaction in aluminum oxide atomic layer deposition on sulfur passivated germanium |
Type |
A1 Journal article |
Year |
2011 |
Publication |
The journal of physical chemistry: C : nanomaterials and interfaces |
Abbreviated Journal |
J Phys Chem C |
Volume |
115 |
Issue |
35 |
Pages |
17523-17532 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
Germanium combined with high-κ dielectrics is investigated for the next generations of CMOS devices. Therefore, we study reaction mechanisms for Al2O3 atomic layer deposition on sulfur passivated Ge using calculations based on density functional theory and total reflection X-ray fluorescence (TXRF). TXRF indicates 6 S/nm2 and 4 Al/nm2 after the first TMA/H2O reaction cycle, and growth inhibition from the second reaction cycle on. Calculations are performed on molecular clusters representing −GeSH surface sites. The calculations confirm that the TMA reaction does not affect the S content. On fully SH-terminated Ge, TMA favorably reacts with up to three −GeSH sites, resulting in a near tetrahedral Al coordination. Electron deficient structures with a GeS site shared between two Al atoms are proposed. The impact of the cluster size on the structures and reaction energetics is systematically investigated. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Washington, D.C. |
Editor |
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Language |
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Wos |
000294386000037 |
Publication Date ![sorted by Publication Date field, descending order (down)](img/sort_desc.gif) |
2011-08-01 |
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 |
1932-7447;1932-7455; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
4.536 |
Times cited |
9 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 4.536; 2011 IF: 4.805 |
Call Number |
UA @ lucian @ c:irua:91714 |
Serial |
1980 |
Permanent link to this record |
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Author |
Huyskens, C.; Lenaerts, S.; Brauns, E.; Diels, L.; de Wever, H. |
Title |
Study of (ir)reversible fouling in MBRs under various operating conditions using new on-line fouling sensor |
Type |
A1 Journal article |
Year |
2011 |
Publication |
Separation and purification technology |
Abbreviated Journal |
Sep Purif Technol |
Volume |
81 |
Issue |
2 |
Pages |
208-215 |
Keywords |
A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
Abstract |
In this study, a new fouling sensor was validated under different conditions of hydraulic (HRT) and sludge retention time (SRT). The MBR-VFM (membrane bioreactor-VITO Fouling Measurement) allows the simultaneous determination of the physically reversible and irreversible fouling potential of a mixed liquor during a single crossflow filtration test. In accordance with the on-line filtration behavior, the measured reversible and irreversible fouling propensities differed significantly between MBRs operated at different combinations of HRT-SRT. Moreover, a significant negative correlation was found between the on-line permeability and the reversible and irreversible fouling propensity measured by the MBR-VFM. This corresponded to observations made on membrane recovery after physical or chemical cleaning actions. Higher reversible and irreversible fouling were observed at lower HRT, presumably as a consequence of increased concentrations of foulants present. The effect of SRT was much smaller and restricted to the reversible fouling component. Possible explanations for the increased fouling at prolonged SRT are the higher sludge and colloid concentration and the smaller floc size. It can be concluded that the MBR-VFM is a useful tool to monitor fluctuations in a mixed liquors (ir)reversible fouling potential and can contribute to a deeper understanding of the occurring fouling 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 |
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Editor |
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Language |
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Wos |
000296108500012 |
Publication Date ![sorted by Publication Date field, descending order (down)](img/sort_desc.gif) |
2011-08-01 |
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 |
1383-5866 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.359 |
Times cited |
15 |
Open Access |
|
Notes |
; ; |
Approved |
Most recent IF: 3.359; 2011 IF: 2.921 |
Call Number |
UA @ admin @ c:irua:93410 |
Serial |
5992 |
Permanent link to this record |
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Author |
Pham, A.-T.; Zhao, Q.-T.; Jungemann, C.; Meinerzhagen, B.; Mantl, S.; Sorée, B.; Pourtois, G. |
Title |
Comparison of strained SiGe heterostructure-on-insulator (0 0 1) and (1 1 0) PMOSFETs : CV characteristics, mobility, and ON current |
Type |
A1 Journal article |
Year |
2011 |
Publication |
Solid state electronics |
Abbreviated Journal |
Solid State Electron |
Volume |
65-66 |
Issue |
|
Pages |
64-71 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
Strained SiGe heterostructure-on-insulator (0 0 1) and (1 1 0) PMOSFETs are investigated including important aspects like CV characteristics, mobility, and ON current. The simulations are based on the self-consistent solution of 6 × 6 k · p Schrödinger Equation, multi subband Boltzmann Transport Equation and Poisson Equation, and capture size quantization, strain, crystallographic orientation, and SiGe alloy effects on a solid physical basis. The simulation results are validated by comparison with different experimental data sources. The simulation results show that the strained SiGe HOI PMOSFET with (1 1 0) surface orientation has a higher gate capacitance and a much higher mobility and ON current compared to a similar device with the traditional (0 0 1) surface orientation. |
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 |
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Language |
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Wos |
000297182700012 |
Publication Date ![sorted by Publication Date field, descending order (down)](img/sort_desc.gif) |
2011-07-29 |
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 |
0038-1101; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
1.58 |
Times cited |
2 |
Open Access |
|
Notes |
; ; |
Approved |
Most recent IF: 1.58; 2011 IF: 1.397 |
Call Number |
UA @ lucian @ c:irua:92866 |
Serial |
433 |
Permanent link to this record |
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Author |
Xu, B.; Milošević, M.V.; Lin, S.-H.; Peeters, F.M.; Jankó, B. |
Title |
Formation of multiple-flux-quantum vortices in mesoscopic superconductors from simulations of calorimetric, magnetic, and transport properties |
Type |
A1 Journal article |
Year |
2011 |
Publication |
Physical review letters |
Abbreviated Journal |
Phys Rev Lett |
Volume |
107 |
Issue |
5 |
Pages |
057002,1-057002,4 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
Because of strong flux confinement in mesoscopic superconductors, a giant vortex may appear in the ground state of the system in an applied magnetic field. This multiquanta vortex can then split into individual vortices (and vice versa) as a function of, e.g., applied current, magnetic field, or temperature. Here we show that such transitions can be identified by calorimetry, as the formation or splitting of a giant vortex results in a clear jump in measured heat capacity versus external drive. We attribute this phenomenon to an abrupt change in the density of states of the quasiparticle excitations in the vortex core(s), and further link it to a sharp change of the magnetic susceptibility at the transitionproving that the formation of a giant vortex can also be detected by magnetometry. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
New York, N.Y. |
Editor |
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Language |
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Wos |
000293333100006 |
Publication Date ![sorted by Publication Date field, descending order (down)](img/sort_desc.gif) |
2011-07-29 |
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 |
0031-9007;1079-7114; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
8.462 |
Times cited |
26 |
Open Access |
|
Notes |
; We thank O. Bourgeois, T. Yokoyama, M. Eschrig, and M. Ichioka for discussions. This work was supported by FWO-Vlaanderen, the Belgian Science Policy (IAP), the bilateral project Flanders-USA, NSF NIRT, ECS-0609249, and Institute of Theoretical Sciences, Notre Dame. ; |
Approved |
Most recent IF: 8.462; 2011 IF: 7.370 |
Call Number |
UA @ lucian @ c:irua:91237 |
Serial |
1263 |
Permanent link to this record |
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Author |
Lindner, H.; Murtazin, A.; Groh, S.; Niemax, K.; Bogaerts, A. |
Title |
Simulation and experimental studies on plasma temperature, flow velocity, and injector diameter effects for an inductively coupled plasma |
Type |
A1 Journal article |
Year |
2011 |
Publication |
Analytical chemistry |
Abbreviated Journal |
Anal Chem |
Volume |
83 |
Issue |
24 |
Pages |
9260-9266 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
An inductively coupled plasma (ICP) is analyzed by means of experiments and numerical simulation. Important plasma properties are analyzed, namely, the effective temperature inside the central channel and the mean flow velocity inside the plasma. Furthermore, the effect of torches with different injector diameters is studied by the model. The temperature inside the central channel is determined from the end-on collected line-to-background ratio in dependence of the injector gas flow rates. Within the limits of 3% deviation, the results of the simulation and the experiments are in good agreement in the range of flow rates relevant for the analysis of relatively large droplets, i.e., 50 μm. The deviation increases for higher gas flow rates but stays below 6% for all flow rates studied. The velocity of the gas inside the coil region was determined by side-on analyte emission measurements with single monodisperse droplet introduction and by the analysis of the injector gas path lines in the simulation. In the downstream region significantly higher velocities were found than in the upstream region in both the simulation and the experiment. The quantitative values show good agreement in the downstream region. In the upstream region, deviations were found in the absolute values which can be attributed to the flow conditions in that region and because the methods used for velocity determination are not fully consistent. Eddy structures are found in the simulated flow lines. These affect strongly the way taken by the path lines of the injector gas and they can explain the very long analytical signals found in the experiments at low flow rates. Simulations were performed for different injector diameters in order to find conditions where good analyte transport and optimum signals can be expected. The results clearly show the existence of a transition flow rate which marks the lower limit for effective analyte transport conditions through the plasma. A rule-of-thumb equation was extracted from the results from which the transition flow rate can be estimated for different injector diameters and different injector gas compositions. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Washington, D.C. |
Editor |
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Language |
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Wos |
000297946900013 |
Publication Date ![sorted by Publication Date field, descending order (down)](img/sort_desc.gif) |
2011-07-29 |
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 |
0003-2700;1520-6882; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
6.32 |
Times cited |
34 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 6.32; 2011 IF: 5.856 |
Call Number |
UA @ lucian @ c:irua:94001 |
Serial |
3009 |
Permanent link to this record |
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Author |
de Backer, A.; Van Aert, S.; van Dyck, D. |
Title |
High precision measurements of atom column positions using model-based exit wave reconstruction |
Type |
A1 Journal article |
Year |
2011 |
Publication |
Ultramicroscopy |
Abbreviated Journal |
Ultramicroscopy |
Volume |
111 |
Issue |
9/10 |
Pages |
1475-1482 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Vision lab |
Abstract |
In this paper, it has been investigated how to measure atom column positions as accurately and precisely as possible using a focal series of images. In theory, it is expected that the precision would considerably improve using a maximum likelihood estimator based on the full series of focal images. As such, the theoretical lower bound on the variances of the unknown atom column positions can be attained. However, this approach is numerically demanding. Therefore, maximum likelihood estimation has been compared with the results obtained by fitting a model to a reconstructed exit wave rather than to the full series of focal images. Hence, a real space model-based exit wave reconstruction technique based on the channelling theory is introduced. Simulations show that the reconstructed complex exit wave contains the same amount of information concerning the atom column positions as the full series of focal images. Only for thin samples, which act as weak phase objects, this information can be retrieved from the phase of the reconstructed complex exit wave. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Amsterdam |
Editor |
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Language |
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Wos |
000300461200004 |
Publication Date ![sorted by Publication Date field, descending order (down)](img/sort_desc.gif) |
2011-07-28 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0304-3991; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.843 |
Times cited |
8 |
Open Access |
|
Notes |
Fwo |
Approved |
Most recent IF: 2.843; 2011 IF: 2.471 |
Call Number |
UA @ lucian @ c:irua:91879 |
Serial |
1438 |
Permanent link to this record |
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Author |
Sébilleau, D.; Natoli, C.; Gavaza, G.M.; Zhao, H.; da Pieve, F.; Hatada, K. |
Title |
MsSpec-1.0 : a multiple scattering package for electron spectroscopies in material science |
Type |
A1 Journal article |
Year |
2011 |
Publication |
Computer physics communications |
Abbreviated Journal |
Comput Phys Commun |
Volume |
182 |
Issue |
12 |
Pages |
2567-2579 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
We present a multiple scattering package to calculate the cross-section of various spectroscopies namely photoelectron diffraction (PED), Auger electron diffraction (AED), X-ray absorption (XAS), low-energy electron diffraction (LEED) and Auger photoelectron coincidence spectroscopy (APECS). This package is composed of three main codes, computing respectively the cluster, the potential and the cross-section. In the latter case, in order to cover a range of energies as wide as possible, three different algorithms are provided to perform the multiple scattering calculation: full matrix inversion, series expansion or correlation expansion of the multiple scattering matrix. Numerous other small Fortran codes or bash/csh shell scripts are also provided to perform specific tasks. The cross-section code is built by the user from a library of subroutines using a makefile. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Amsterdam |
Editor |
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Language |
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Wos |
000295769700014 |
Publication Date ![sorted by Publication Date field, descending order (down)](img/sort_desc.gif) |
2011-07-28 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
|
ISSN |
0010-4655; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.936 |
Times cited |
6 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 3.936; 2011 IF: 3.268 |
Call Number |
UA @ lucian @ c:irua:93288 |
Serial |
2208 |
Permanent link to this record |
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Author |
Tsirlin, A.A.; Nath, R.; Abakumov, A.M.; Furukawa, Y.; Johnston, D.C.; Hemmida, M.; Krug von Nidda, H.-A.; Loidl, A.; Geibel, C.; Rosner, H. |
Title |
Phase separation and frustrated square lattice magnetism of Na1.5VOPO4F0.5 |
Type |
A1 Journal article |
Year |
2011 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
84 |
Issue |
1 |
Pages |
014429-014429,16 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
Crystal structure, electronic structure, and magnetic behavior of the spin-1/2 quantum magnet Na1.5VOPO4F0.5 are reported. The disorder of Na atoms leads to a sequence of structural phase transitions revealed by synchrotron x-ray powder diffraction and electron diffraction. The high-temperature second-order α↔β transition at 500 K is of the order-disorder type, whereas the low-temperature β↔γ+γ′ transition around 250 K is of the first order and leads to a phase separation toward the polymorphs with long-range (γ) and short-range (γ′) order of Na. Despite the complex structural changes, the magnetic behavior of Na1.5VOPO4F0.5 probed by magnetic susceptibility, heat capacity, and electron spin resonance measurements is well described by the regular frustrated square lattice model of the high-temperature α-polymorph. The averaged nearest-neighbor and next-nearest-neighbor couplings are J̅ 1≃−3.7 K and J̅ 2≃6.6 K, respectively. Nuclear magnetic resonance further reveals the long-range ordering at TN=2.6 K in low magnetic fields. Although the experimental data are consistent with the simplified square-lattice description, band structure calculations suggest that the ordering of Na atoms introduces a large number of inequivalent exchange couplings that split the square lattice into plaquettes. Additionally, the direct connection between the vanadium polyhedra induces an unusually strong interlayer coupling having effect on the transition entropy and the transition anomaly in the specific heat. Peculiar features of the low-temperature crystal structure and the relation to isostructural materials suggest Na1.5VOPO4F0.5 as a parent compound for the experimental study of tetramerized square lattices as well as frustrated square lattices with different values of spin. |
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 |
000293247400008 |
Publication Date ![sorted by Publication Date field, descending order (down)](img/sort_desc.gif) |
2011-07-28 |
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 |
47 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 3.836; 2011 IF: 3.691 |
Call Number |
UA @ lucian @ c:irua:91770 |
Serial |
2588 |
Permanent link to this record |
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|
|
Author |
Glazov, M.M.; Semina, M.A.; Badalyan, S.M.; Vignale, G. |
Title |
Spin-current generation from Coulomb-Rashba interaction in semiconductor bilayers |
Type |
A1 Journal article |
Year |
2011 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
84 |
Issue |
3 |
Pages |
033305-033305,4 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
Electrons in double-layer semiconductor heterostructures experience a special type of spin-orbit interaction that arises in each layer from the perpendicular component of the Coulomb electric field created by electron-density fluctuations in the other layer. We show that this interaction, acting in combination with the usual spin-orbit interaction, can generate a spin current in one layer when a charge current is driven in the other. This effect is distinct symmetrywise from the spin-Hall drag. The spin current is not, in general, perpendicular to the drive current. |
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 |
000293129200001 |
Publication Date ![sorted by Publication Date field, descending order (down)](img/sort_desc.gif) |
2011-07-26 |
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 |
5 |
Open Access |
|
Notes |
; M.M.G. and M. A. S. are grateful to RFBR, EU projects Spinoptronics and POLAPHEN, and the “Dynasty” Foundation-ICFPM for financial support. S. M. B. acknowledges support from EU Grant No. PIIF-GA-2009-235394, the DFG SFB 689, and the Belgium Science Policy (IAP). G. V. acknowledges support from NSF Grant No. DMR-0705460. ; |
Approved |
Most recent IF: 3.836; 2011 IF: 3.691 |
Call Number |
UA @ lucian @ c:irua:91740 |
Serial |
3081 |
Permanent link to this record |
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|
|
Author |
Schattschneider, P.; Verbeeck, J. |
Title |
Theory of free electron vortices |
Type |
A1 Journal article |
Year |
2011 |
Publication |
Ultramicroscopy |
Abbreviated Journal |
Ultramicroscopy |
Volume |
111 |
Issue |
9/10 |
Pages |
1461-1468 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
The recent creation of electron vortex beams and their first practical application motivates a better understanding of their properties. Here, we develop the theory of free electron vortices with quantized angular momentum, based on solutions of the Schrödinger equation for cylindrical boundary conditions. The principle of transformation of a plane wave into vortices with quantized angular momentum, their paraxial propagation through round magnetic lenses, and the effect of partial coherence are discussed. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Amsterdam |
Editor |
|
Language |
|
Wos |
000300461200002 |
Publication Date ![sorted by Publication Date field, descending order (down)](img/sort_desc.gif) |
2011-07-26 |
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 |
57 |
Open Access |
|
Notes |
Esteem 026019 |
Approved |
Most recent IF: 2.843; 2011 IF: 2.471 |
Call Number |
UA @ lucian @ c:irua:91882 |
Serial |
3617 |
Permanent link to this record |
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|
Author |
Rønnow, T.F.; Pedersen, T.G.; Partoens, B.; Berthelsen, K.K. |
Title |
Variational quantum Monte Carlo study of charged excitons in fractional dimensional space |
Type |
A1 Journal article |
Year |
2011 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
84 |
Issue |
3 |
Pages |
035316-035316,13 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
In this article we study excitons and trions in fractional dimensional spaces using the model suggested by C. Palmer [ J. Phys. A: Math. Gen. 37 6987 (2004)] through variational quantum Monte Carlo. We present a direct approach for estimating the exciton binding energy and discuss the von Neumann rejection- and Metropolis sampling methods. A simple variational estimate of trions is presented which shows good agreement with previous calculations done within the fractional dimensional model presented by D. R. Herrick and F. H. Stillinger [ Phys. Rev. A 11 42 (1975) and J. Math. Phys. 18 1224 (1977)]. We explain the spatial physics of the positive and negative trions by investigating angular and inter-atomic distances. We then examine the wave function and explain the differences between the positive and negative trions with heavy holes. As applications of the fractional dimensional model we study three systems: First we apply the model to estimate the energy of the hydrogen molecular ion H2+. Then we estimate trion binding energies in GaAs-based quantum wells and we demonstrate a good agreement with other theoretical work as well as experimentally observed binding energies. Finally, we apply the results to carbon nanotubes. We find good agreement with recently observed binding energies of the positively charged trion. |
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 |
000293129200012 |
Publication Date ![sorted by Publication Date field, descending order (down)](img/sort_desc.gif) |
2011-07-26 |
Series Editor |
|
Series Title |
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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 |
15 |
Open Access |
|
Notes |
; ; |
Approved |
Most recent IF: 3.836; 2011 IF: 3.691 |
Call Number |
UA @ lucian @ c:irua:91741 |
Serial |
3837 |
Permanent link to this record |
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Author |
Darchuk, L.; Gatto Rotondo, G.; Swaenen, M.; Worobiec, A.; Tsybrii, Z.; Makarovska, Y.; Van Grieken, R. |
Title |
Composition of prehistoric rock-painting pigments from Egypt (Gilf Kébir area) |
Type |
A1 Journal article |
Year |
2011 |
Publication |
Spectrochimica acta: part A: molecular and biomolecular spectroscopy |
Abbreviated Journal |
|
Volume |
83 |
Issue |
1 |
Pages |
34-38 |
Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Laboratory Experimental Medicine and Pediatrics (LEMP) |
Abstract |
The composition of rock-painting pigments from Egypt (Gilf Kebia area) has been analyzed by means of molecular spectroscopy such as Fourier transform infrared and micro-Raman spectroscopy and scanning electron microscopy coupled to an energy dispersive X-ray spectrometer and X-ray fluorescence analysis. Red and yellow pigments were recognized as red and yellow ochre with additional rutile. |
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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 |
000296827600005 |
Publication Date ![sorted by Publication Date field, descending order (down)](img/sort_desc.gif) |
2011-07-26 |
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 |
1386-1425 |
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:92015 |
Serial |
7713 |
Permanent link to this record |
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Author |
Bals, S.; Casavola, M.; van Huis, M.A.; Van Aert, S.; Batenburg, K.J.; Van Tendeloo, G.; Vanmaekelbergh, D. |
Title |
Three-dimensional atomic imaging of colloidal core-shell nanocrystals |
Type |
A1 Journal article |
Year |
2011 |
Publication |
Nano letters |
Abbreviated Journal |
Nano Lett |
Volume |
11 |
Issue |
8 |
Pages |
3420-3424 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Vision lab |
Abstract |
Colloidal coreshell semiconductor nanocrystals form an important class of optoelectronic materials, in which the exciton wave functions can be tailored by the atomic configuration of the core, the interfacial layers, and the shell. Here, we provide a trustful 3D characterization at the atomic scale of a free-standing PbSe(core)CdSe(shell) nanocrystal by combining electron microscopy and discrete tomography. Our results yield unique insights for understanding the process of cation exchange, which is widely employed in the synthesis of coreshell nanocrystals. The study that we present is generally applicable to the broad range of colloidal heteronanocrystals that currently emerge as a new class of materials with technological importance. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Washington |
Editor |
|
Language |
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Wos |
000293665600062 |
Publication Date ![sorted by Publication Date field, descending order (down)](img/sort_desc.gif) |
2011-07-25 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1530-6984;1530-6992; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
12.712 |
Times cited |
121 |
Open Access |
|
Notes |
Esteem 026019; Fwo |
Approved |
Most recent IF: 12.712; 2011 IF: 13.198 |
Call Number |
UA @ lucian @ c:irua:91263 |
Serial |
3643 |
Permanent link to this record |
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Author |
Kontozova-Deutsch, V.; Deutsch, F.; Godoi, R.H.M.; Van Grieken, R.; De Wael, K. |
Title |
Urban air pollutants and their micro effects on medieval stained glass windows |
Type |
A1 Journal article |
Year |
2011 |
Publication |
Microchemical journal |
Abbreviated Journal |
Microchem J |
Volume |
99 |
Issue |
2 |
Pages |
508-513 |
Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
Abstract |
Levels of urban gaseous and particulate pollutants were investigated in the Cathedral of Cologne, Germany in the framework of the EU-project VIDRIO. The purpose of this study was to evaluate the influence of a protective double glazing system on the preservation of ancient stained glass windows by sampling at protected and unprotected windows (indoors, in the interspace and outdoor of the Cathedral). The interspace between the ancient stained glass window and the protective glazing is flushed in the Cathedral by indoor air, hence isolating the historic glass from the outdoor air and exposing it to indoor air on both sides of the glass panels. Concentrations of aggressive gaseous pollutants such as NO2, SO2, O3 and CO2 as well as elemental concentrations of bulk particles and relative abundances of single particles were surveyed at all sampling locations. Elemental concentrations in bulk particulate matter were found to be significantly lower inside the Cathedral in comparison to the outdoor air. This result is advantageous for the stained glass windows. Single particle analysis of the samples from Cologne showed also soil dust and organic particles as well as sulphates and nitrates, from which the latter two compounds are dangerous for the stained glass windows. On the base of the obtained results, it can be concluded that the protective glazing system in the Cathedral of Cologne can be considered as predominantly advantageous from both the gases' point of view (except for NO2-candles burning) and from the particles' point of view. |
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 |
000295770700053 |
Publication Date ![sorted by Publication Date field, descending order (down)](img/sort_desc.gif) |
2011-07-23 |
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 |
|
ISSN |
0026-265x; 0026-265x |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.034 |
Times cited |
6 |
Open Access |
|
Notes |
; This research was supported by the European Commission through the “VIDRIO-project”, contract no. EVK4-CT-2001-00045. Financial support is gratefully acknowledged. The authors acknowledge the assistance and advice during the experimental work given by the Dombauhutte team in Cologne, especially by Dr. Ulrike Brinkman and Gunter Hettinger. ; |
Approved |
Most recent IF: 3.034; 2011 IF: 3.048 |
Call Number |
UA @ admin @ c:irua:91078 |
Serial |
5889 |
Permanent link to this record |
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Author |
Chen, X.; Cao, S.; Ikeda, T.; Srivastava, V.; Snyder, G.J.; Schryvers, D.; James, R.D. |
Title |
A weak compatibility condition for precipitation with application to the microstructure of PbTe-Sb2Te3 thermoelectrics |
Type |
A1 Journal article |
Year |
2011 |
Publication |
Acta materialia |
Abbreviated Journal |
Acta Mater |
Volume |
59 |
Issue |
15 |
Pages |
6124-6132 |
Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
Abstract |
We propose a weak condition of compatibility between phases applicable to cases exhibiting full or partial coherence and Widmanstätten microstructure. The condition is applied to the study of Sb2Te3 precipitates in a PbTe matrix in a thermoelectric alloy. The weak condition of compatibility predicts elongated precipitates lying on a cone determined by a transformation stretch tensor. Comparison of this cone with the long directions of precipitates determined by a slice-and-view method of scanning electron microscopy combined with focused ion beam sectioning shows good agreement between theory and experiment. A further study of the morphology of precipitates by the Eshelby method suggests that interfacial energy also plays a role and gives an approximate value of interfacial energy per unit area of 250 dyn cm−1. |
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 |
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Language |
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Wos |
000294086900026 |
Publication Date ![sorted by Publication Date field, descending order (down)](img/sort_desc.gif) |
2011-07-22 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
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Edition |
|
ISSN |
1359-6454; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
5.301 |
Times cited |
8 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 5.301; 2011 IF: 3.755 |
Call Number |
UA @ lucian @ c:irua:92388 |
Serial |
3911 |
Permanent link to this record |
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Author |
Quintana, M.; Montellano, A.; Esau del Rio Castillo, A.; Van Tendeloo, G.; Bittencourt, C.; Prato, M. |
Title |
Selective organic functionalization of graphene bulk or graphene edges |
Type |
A1 Journal article |
Year |
2011 |
Publication |
Chemical communications |
Abbreviated Journal |
Chem Commun |
Volume |
47 |
Issue |
33 |
Pages |
9330-9332 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
Graphene sheets have been functionalized with a PAMAM dendron, finding that graphene can be efficiently functionalized all over the surface, or only at the edges, depending on the reactions used in the functionalization process. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
London |
Editor |
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Language |
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Wos |
000293648200010 |
Publication Date ![sorted by Publication Date field, descending order (down)](img/sort_desc.gif) |
2011-07-20 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
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Edition |
|
ISSN |
1359-7345;1364-548X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
6.319 |
Times cited |
84 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 6.319; 2011 IF: 6.169 |
Call Number |
UA @ lucian @ c:irua:91892 |
Serial |
2968 |
Permanent link to this record |
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Author |
Liu, Y.; Cheng, F.; Li, X.J.; Peeters, F.M.; Chang, K. |
Title |
Tuning of anisotropy in two-electron quantum dots by spin-orbit interactions |
Type |
A1 Journal article |
Year |
2011 |
Publication |
Applied physics letters |
Abbreviated Journal |
Appl Phys Lett |
Volume |
99 |
Issue |
3 |
Pages |
032102,1-032102,3 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
We investigate the influence of the spin-orbit interactions (SOIs) on the electron distribution and the optical absorption of a two-electron quantum dot. It is shown that the interplay between the SOIs makes the two-electron quantum dot behave like two laterally coupled quantum dots and the anisotropic distribution can be rotated from [110] to [11®0] by reversing the direction of the perpendicular electric field and detect it through the optical absorption spectrum. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
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Language |
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Wos |
000293679000026 |
Publication Date ![sorted by Publication Date field, descending order (down)](img/sort_desc.gif) |
2011-07-18 |
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 |
0003-6951; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.411 |
Times cited |
8 |
Open Access |
|
Notes |
; This work was supported by NSFC Grants No. 16760525405, 10874175 and 11004017 and the Belgian Science Policy 168(IAP). ; |
Approved |
Most recent IF: 3.411; 2011 IF: 3.844 |
Call Number |
UA @ lucian @ c:irua:92473 |
Serial |
3749 |
Permanent link to this record |
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Author |
Masir, M.R.; Vasilopoulos, P.; Peeters, F.M. |
Title |
Graphene in inhomogeneous magnetic fields : bound, quasi-bound and scattering states |
Type |
A1 Journal article |
Year |
2011 |
Publication |
Journal of physics : condensed matter |
Abbreviated Journal |
J Phys-Condens Mat |
Volume |
23 |
Issue |
31 |
Pages |
315301,1-315301,14 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
The electron states in graphene-based magnetic dot and magnetic ring structures and combinations of both are investigated. The corresponding spectra are studied as a function of the radii, the strengths of the inhomogeneous magnetic field and of a uniform background field, the strength of an electrostatic barrier and the angular momentum quantum number. In the absence of an external magnetic field we have only long-lived quasi-bound and scattering states and we assess their influence on the density of states. In addition, we consider elastic electron scattering by a magnetic dot, whose average B vanishes, and show that the Hall and longitudinal resistivities, as a function of the Fermi energy, exhibit a pronounced oscillatory structure due to the presence of quasi-bound states. Depending on the dot parameters this oscillatory structure differs substantially for energies below and above the first Landau level. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
London |
Editor |
|
Language |
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Wos |
000293008900002 |
Publication Date ![sorted by Publication Date field, descending order (down)](img/sort_desc.gif) |
2011-07-16 |
Series Editor |
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Series Title |
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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 |
38 |
Open Access |
|
Notes |
; This work was supported by the European Science Foundation (ESF) under the EUROCORES Program EuroGRAPHENE, the Canadian NSERC grant no. OGP0121756 and the Belgian Science Policy (IAP). We acknowledge discussions and correspondence with Professor A Matulis. ; |
Approved |
Most recent IF: 2.649; 2011 IF: 2.546 |
Call Number |
UA @ lucian @ c:irua:91176 |
Serial |
1372 |
Permanent link to this record |
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Author |
Zarenia, M.; Pereira, J.M.; Peeters, F.M.; Farias, G. de A. |
Title |
Topological confinement in an antisymmetric potential in bilayer graphene in the presence of a magnetic field |
Type |
A1 Journal article |
Year |
2011 |
Publication |
Nanoscale research letters |
Abbreviated Journal |
Nanoscale Res Lett |
Volume |
6 |
Issue |
|
Pages |
452,1-452,10 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
We investigate the effect of an external magnetic field on the carrier states that are localized at a potential kink and a kink-antikink in bilayer graphene. These chiral states are localized at the interface between two potential regions with opposite signs. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
New York, N.Y. |
Editor |
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Language |
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Wos |
000293299800001 |
Publication Date ![sorted by Publication Date field, descending order (down)](img/sort_desc.gif) |
2011-07-14 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1556-276X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.833 |
Times cited |
4 |
Open Access |
|
Notes |
; This work was supported by the Brazilian agency CNPq (Pronex), the Flemish Science Foundation (FWO-Vl), the Belgian Science Policy (IAP), and the bilateral projects between Flanders and Brazil and FWO-CNPq. ; |
Approved |
Most recent IF: 2.833; 2011 IF: NA |
Call Number |
UA @ lucian @ c:irua:91745 |
Serial |
3674 |
Permanent link to this record |
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|
|
Author |
Cabal Rodríguez, A.E.; Leyva Pernia, D.; Schalm, O.; van Espen, P.J.M. |
Title |
Possibilities of energy-resolved X-ray radiography for the investigation of paintings |
Type |
A1 Journal article |
Year |
2012 |
Publication |
Analytical and bioanalytical chemistry |
Abbreviated Journal |
|
Volume |
402 |
Issue |
4 |
Pages |
1471-1480 |
Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
Abstract |
X-ray radiographic images of paintings often show little or no contrast. In order to increase the contrast in radiographic images we measured the X-ray spectrum of a low power X-ray tube, after passing through the painting, with a high energy-resolution SDD detector. To obtain images, the detector is collimated with a 400 mu m diameter pinhole and the painting was moved through the beam in the x and y-direction using a dwell time of a few seconds per pixel. The data obtained consists of a data cube of, typically, 200 x 200 pixels and a 512-channel X-ray spectrum for each pixel, spanning the energy range from 0 to 40 keV. Having the absorbance spectrum available for each pixel, we are able, a posteriori, to produce images by edge subtraction for any given element. In this way high contrast, element-specific, images can be obtained. Because of the high energy-resolution a much simpler edge subtraction algorithm can be applied. We also used principal-component imaging to obtain, in a more automated way, images with high contrast. Some of these images can easily be attributed to specific elements. It turns out that preprocessing of the spectral data is crucial for the success of the multivariate image processing. |
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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 |
000299842000008 |
Publication Date ![sorted by Publication Date field, descending order (down)](img/sort_desc.gif) |
2011-07-14 |
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 |
1618-2642; 1618-2650 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
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Times cited |
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Open Access |
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Notes |
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Approved |
no |
Call Number |
UA @ admin @ c:irua:96200 |
Serial |
8394 |
Permanent link to this record |
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Author |
De Bie, C.; Verheyde, B.; Martens, T.; van Dijk, J.; Paulussen, S.; Bogaerts, A. |
Title |
Fluid modeling of the conversion of methane into higher hydrocarbons in an atmospheric pressure dielectric barrier discharge |
Type |
A1 Journal article |
Year |
2011 |
Publication |
Plasma processes and polymers |
Abbreviated Journal |
Plasma Process Polym |
Volume |
8 |
Issue |
11 |
Pages |
1033-1058 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
A one-dimensional fluid model for a dielectric barrier discharge in methane, used as a chemical reactor for gas conversion, is developed. The model describes the gas phase chemistry governing the conversion process of methane to higher hydrocarbons. The spatially averaged densities of the various plasma species as a function of time are discussed. Besides, the conversion of methane and the yields of the reaction products as a function of the residence time in the reactor are shown and compared with experimental data. Higher hydrocarbons (C2Hy and C3Hy) and hydrogen gas are typically found to be important reaction products. Furthermore, the main underlying reaction pathways are determined. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Weinheim |
Editor |
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Language |
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Wos |
000297745500005 |
Publication Date ![sorted by Publication Date field, descending order (down)](img/sort_desc.gif) |
2011-07-11 |
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 |
1612-8850; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.846 |
Times cited |
70 |
Open Access |
|
Notes |
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Approved |
Most recent IF: 2.846; 2011 IF: 2.468 |
Call Number |
UA @ lucian @ c:irua:92443 |
Serial |
1227 |
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Author |
King, G.; Abakumov, A.M.; Woodward, P.M.; Llobet, A.; Tsirlin, A.A.; Batuk, D.; Antipov, E.V. |
Title |
The high-temperature polymorphs of K3AlF6 |
Type |
A1 Journal article |
Year |
2011 |
Publication |
Inorganic chemistry |
Abbreviated Journal |
Inorg Chem |
Volume |
50 |
Issue |
16 |
Pages |
7792-7801 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
The crystal structures of the three high-temperature polymorphs of K3AlF6 have been solved from neutron powder diffraction, synchrotron X-ray powder diffraction, and electron diffraction data. The β-phase (stable between 132 and 153 °C) and γ-phase (stable between 153 to 306 °C) can be described as unusually complex superstructures of the double-perovskite structure (K2KAlF6) which result from noncooperative tilting of the AlF6 octahedra. The β-phase is tetragonal, space group I4/m, with lattice parameters of a = 13.3862(5) Å and c = 8.5617(3) Å (at 143 °C) and Z = 10. In this phase, one-fifth of the AlF6 octahedra are rotated about the c-axis by 45° while the other four-fifths remain untilted. The large 45° rotations result in edge sharing between these AlF6 octahedra and the neighboring K-centered polyhedra, resulting in pentagonal bipyramidal coordination for four-fifths of the K+ ions that reside on the B-sites of the perovskite structure. The remaining one-fifth of the K+ ions on the B-sites retain octahedral coordination. The γ-phase is orthorhombic, space group Fddd, with lattice parameters of a = 36.1276(4) Å, b = 17.1133(2) Å, and c = 12.0562(1) Å (at 225 °C) and Z = 48. In the γ-phase, one-sixth of the AlF6 octahedra are randomly rotated about one of two directions by 45° while the other five-sixths remain essentially untilted. These rotations result in two-thirds of the K+ ions on the B-site obtaining 7-fold coordination while the other one-third remain in octahedral coordination. The δ-phase adopts the ideal cubic double-perovskite structure, space group Fmm, with a = 8.5943(1) Å at 400 °C. However, pair distribution function analysis shows that locally the δ-phase is quite different from its long-range average crystal structure. The AlF6 octahedra undergo large-amplitude rotations which are accompanied by off-center displacements of the K+ ions that occupy the 12-coordinate A-sites. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Easton, Pa |
Editor |
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Language |
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Wos |
000293493100052 |
Publication Date ![sorted by Publication Date field, descending order (down)](img/sort_desc.gif) |
2011-07-11 |
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 |
0020-1669;1520-510X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
4.857 |
Times cited |
19 |
Open Access |
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Notes |
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Approved |
Most recent IF: 4.857; 2011 IF: 4.601 |
Call Number |
UA @ lucian @ c:irua:91131 |
Serial |
1468 |
Permanent link to this record |
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Author |
Hadermann, J.; Abakumov, A.M.; Turner, S.; Hafideddine, Z.; Khasanova, N.R.; Antipov, E.V.; Van Tendeloo, G. |
Title |
Solving the structure of Li ion battery materials with precession electron diffraction : application to Li2CoPo4F |
Type |
A1 Journal article |
Year |
2011 |
Publication |
Chemistry of materials |
Abbreviated Journal |
Chem Mater |
Volume |
23 |
Issue |
15 |
Pages |
3540-3545 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
The crystal structure of the Li2CoPO4F high-voltage cathode for Li ion rechargeable batteries has been completely solved from precession electron diffraction (PED) data, including the location of the Li atoms. The crystal structure consists of infinite chains of CoO4F2 octahedra sharing common edges and linked into a 3D framework by PO4 tetrahedra. The chains and phosphate anions together delimit tunnels filled with the Li atoms. This investigation demonstrates that PED can be successfully applied for obtaining structural information on a variety of Li-containing electrode materials even from single micrometer-sized crystallites. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Washington, D.C. |
Editor |
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Language |
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Wos |
000293357100019 |
Publication Date ![sorted by Publication Date field, descending order (down)](img/sort_desc.gif) |
2011-07-11 |
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 |
0897-4756;1520-5002; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
9.466 |
Times cited |
46 |
Open Access |
|
Notes |
Fwo; Bof |
Approved |
Most recent IF: 9.466; 2011 IF: 7.286 |
Call Number |
UA @ lucian @ c:irua:90357 |
Serial |
3053 |
Permanent link to this record |
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Author |
Wang, Y.; Yu, M.Y.; Chen, Z.Y. |
Title |
Coherent relativistic wake wave of a charged object moving steadily in a plasma |
Type |
A1 Journal article |
Year |
2011 |
Publication |
Physica scripta |
Abbreviated Journal |
Phys Scripta |
Volume |
84 |
Issue |
2 |
Pages |
025501,1-025501,5 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
Nonlinear electron plasma waves driven by a finite-charged particle pulse or rigid object moving at relativistic speeds are investigated. Quasi-stationary smooth and spiky wake waves comoving with the object are found. Localized soliton-like solutions are also shown to exist. Relativistic effects tend to prevent their formation because of the electron mass increase. The application of the very-large-amplitude wake density waves as a source of ultrahigh-energy cosmic-ray events is discussed. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Stockholm |
Editor |
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Language |
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Wos |
000294727900017 |
Publication Date ![sorted by Publication Date field, descending order (down)](img/sort_desc.gif) |
2011-07-09 |
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 |
0031-8949;1402-4896; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
1.28 |
Times cited |
5 |
Open Access |
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Notes |
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Approved |
Most recent IF: 1.28; 2011 IF: 1.204 |
Call Number |
UA @ lucian @ c:irua:92435 |
Serial |
381 |
Permanent link to this record |
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Author |
Prituzhalov, V.A.; Ardashnikova, E.I.; Vinogradov, A.A.; Dolgikh, V.A.; Videau, J.-J.; Fargin, E.; Abakumov, A.M.; Tarakina, N.V.; Van Tendeloo, G. |
Title |
New anion-conducting solid solutions Bi1-xTex(O,F)2+\delta (x > 0.5) and glassceramic material on their base |
Type |
A1 Journal article |
Year |
2011 |
Publication |
Journal of fluorine chemistry |
Abbreviated Journal |
J Fluorine Chem |
Volume |
132 |
Issue |
12 |
Pages |
1110-1116 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
The anion-excess fluorite-like solid solutions with general composition Bi1−xTex(O,F)2+δ (x > 0.5) have been synthesized by a solid state reaction of TeO2, BiF3 and Bi2O3 at 873 K with following quenching. The homogeneity areas and polymorphism of the I ↔ IV Bi1−xTex(O,F)2+δ phases were investigated. The crystal structure of the low temperature IV-Bi1−xTex(O,F)2+δ phase has been solved using electron diffraction and X-ray powder diffraction (a = 11.53051(9) Å, S.G. Ia-3, RI = 0.046, RP = 0.041). Glass formation area in the Bi2O3BiF3TeO2 (10% TiO2) system was investigated. IVBi1−xTex(O,F)2+δ phase starts to crystallize at short-time (0.53 h) annealing of oxyfluoride glasses at temperatures above Tg (600615 K). The ionic conductivity of the crystalline Bi1−xTex(O,F)2+δ phase and corresponding glass-ceramics was investigated. Activation energy of conductivity Ea = 0.41(2) eV for the IV-Bi1−xTex(O,F)2+δ crystalline samples and Ea = 0.73 eV for the glass-ceramic samples were obtained. Investigation of the oxyfluoride samples with a constant cation ratio demonstrates essential influence of excess fluorine anions on the ionic conductivity. |
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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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Language |
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Wos |
000296936300011 |
Publication Date ![sorted by Publication Date field, descending order (down)](img/sort_desc.gif) |
2011-07-07 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0022-1139; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.101 |
Times cited |
2 |
Open Access |
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Notes |
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Approved |
Most recent IF: 2.101; 2011 IF: 2.033 |
Call Number |
UA @ lucian @ c:irua:93687 |
Serial |
2305 |
Permanent link to this record |
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Author |
Pape, E.; Bezerra, T.N.; Vanneste, H.; Heeschen, K.; Moodley, L.; Leroux, F.; van Breugel, P.; Vanreusel, A. |
Title |
Community structure and feeding preference of nematodes associated with methane seepage at the Darwin mud volcano (Gulf of Cádiz) |
Type |
A1 Journal article |
Year |
2011 |
Publication |
Marine ecology progress series |
Abbreviated Journal |
Mar Ecol Prog Ser |
Volume |
438 |
Issue |
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Pages |
71-83 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
We sampled the Darwin mud volcano (MV) for meiofaunal community and trophic structure in relation to pore-water geochemistry along a 10 m transect from a seep site on the rim of the crater towards the MV slope. Pore-water profiles indicated considerable variation in upward methane (CH4) flow among sediment cores taken along the transect, with highest flux in the seep sediment core, gradually decreasing along the transect, to no CH4 flux in the core taken at a 5 m distance. Low sulphate concentrations and high levels of total alkalinity and sulphide (H2S) suggested that anaerobic oxidation of methane (AOM) occurred close to the sediment surface in the seep sediment core. High H2S levels had a genus- and species-specific impact on meiofaunal densities. Nematode genus composition varied gradually between sediment cores, with the genus Sabatieria dominating almost all sediment cores. However, genus diversity increased with increasing distance from the seep site. These limited data suggest that the community structure of seep meiofauna is highly dependent on local (a)biotic habitat characteristics, and a typical seep meiofaunal community cannot be delineated. Stable isotope values suggested the nematode diet up to 10 m from the seep site included thiotrophic carbon. The thicker hemipelagic sediment layer (photosynthetic carbon), the increased trophic diversity, and the heavier nematode δ13C farther from the seep site suggest a decrease in thiotrophy and an increase in photosynthetic carbon in the nematode diet. |
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Corporate Author |
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Thesis |
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Publisher |
Inter-research |
Place of Publication |
Halstenbek |
Editor |
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Language |
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Wos |
000295616000006 |
Publication Date ![sorted by Publication Date field, descending order (down)](img/sort_desc.gif) |
2011-07-06 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0171-8630;1616-1599; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.292 |
Times cited |
18 |
Open Access |
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Notes |
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Approved |
Most recent IF: 2.292; 2011 IF: 2.711 |
Call Number |
UA @ lucian @ c:irua:93682 |
Serial |
414 |
Permanent link to this record |