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Records |
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Author |
Neyts, E.; Eckert, M.; Mao, M.; Bogaerts, A. |
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Title |
Numerical simulation of hydrocarbon plasmas for nanoparticle formation and the growth of nanostructured thin films |
Type |
A1 Journal article |
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Year |
2009 |
Publication |
Plasma physics and controlled fusion |
Abbreviated Journal |
Plasma Phys Contr F |
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Volume |
51 |
Issue |
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Pages |
124034,1-124034,8 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
This paper outlines two different numerical simulation approaches, carried out by our group, used for describing hydrocarbon plasmas in their applications for either nanoparticle formation in the plasma or the growth of nanostructured thin films, such as nanocrystalline diamond (NCD). A plasma model based on the fluid approach is utilized to study the initial mechanisms giving rise to nanoparticle formation in an acetylene plasma. The growth of NCD is investigated by molecular dynamics simulations, describing the interaction of the hydrocarbon species with a substrate. |
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Place of Publication |
Oxford |
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Wos |
000271940800045 |
Publication Date |
2009-11-12 |
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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 |
0741-3335;1361-6587; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.392 |
Times cited |
2 |
Open Access |
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Notes |
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Approved |
Most recent IF: 2.392; 2009 IF: 2.409 |
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Call Number |
UA @ lucian @ c:irua:79132 |
Serial |
2405 |
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Permanent link to this record |
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Author |
Neyts, E.; Bogaerts, A.; van de Sanden, M.C.M. |
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Title |
Modeling PECVD growth of nanostructured carbon materials |
Type |
A1 Journal article |
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Year |
2009 |
Publication |
High temperature material processes |
Abbreviated Journal |
High Temp Mater P-Us |
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Volume |
13 |
Issue |
3/4 |
Pages |
399-412 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
We present here some of our modeling efforts for PECVD growth of nanostructured carbon materials with focus on amorphous hydrogenated carbon. Experimental data from an expanding thermal plasma setup were used as input for the simulations. Attention was focused both on the film growth mechanism, as well as on the hydrocarbon reaction mechanisms during growth of the films. It is found that the reaction mechanisms and sticking coefficients are dependent on the specific surface sites, and the structural properties of the growth radicals. The film growth results are in correspondence with the experiment. Furthermore, it is found that thin a-C:H films can be densified using an additional H-flux towards the substrate. |
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Wos |
000274202300012 |
Publication Date |
2010-02-01 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1093-3611; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
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Times cited |
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Open Access |
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Notes |
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Approved |
Most recent IF: NA |
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Call Number |
UA @ lucian @ c:irua:80991 |
Serial |
2138 |
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Permanent link to this record |
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Author |
Nelissen, K.; Partoens, B.; van den Broeck, C. |
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Title |
Work and dissipation in 2D clusters |
Type |
A1 Journal article |
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Year |
2009 |
Publication |
Europhysics letters |
Abbreviated Journal |
Epl-Europhys Lett |
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Volume |
88 |
Issue |
3 |
Pages |
30001-30001,6 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
We show by extensive numerical simulations, that far-from-equilibrium experiments on dusty plasmas and on dipole particles in a circular cavity are good candidates for the verification of the Jarzynski equality, the Crooks relation and, to a lesser extent, of the recently obtained microscopic expression for the dissipated work. |
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Place of Publication |
Paris |
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Wos |
000271961400001 |
Publication Date |
2009-11-05 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0295-5075;1286-4854; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
1.957 |
Times cited |
2 |
Open Access |
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Notes |
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Approved |
Most recent IF: 1.957; 2009 IF: 2.893 |
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Call Number |
UA @ lucian @ c:irua:86925 |
Serial |
3922 |
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Permanent link to this record |
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Author |
Neira, I.S.; Kolen'ko, Y.V.; Lebedev, O.I.; Van Tendeloo, G.; Gupta, H.S.; Matsushita, N.; Yoshimura, M.; Guitian, F. |
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Title |
Rational synthesis of a nanocrystalline calcium phosphate cement exhibiting rapid conversion to hydroxyapatite |
Type |
A1 Journal article |
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Year |
2009 |
Publication |
Materials science and engineering: part C: biomimetic materials |
Abbreviated Journal |
Mat Sci Eng C-Mater |
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Volume |
29 |
Issue |
7 |
Pages |
2124-2132 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
The rational synthesis, comprehensive characterization, and mechanical and micromechanical properties of a calcium phosphate cement are presented. Hydroxyapatite cement biomaterial was synthesized from reactive sub-micrometer-sized dicalcium phosphate dihydrate and tetracalcium phosphate via a dissolution-precipitation reaction using water as the liquid phase. As a result nanostructured, Ca-deficient and carbonated B-type hydroxyapatite is formed. The cement shows good processibility, sets in 22 ± 2 min and entirely transforms to the end product after 6 h of setting reaction, one of the highest conversion rates among previously reported for calcium phosphate cements based on dicalcium and tetracalcium phosphates. The combination of all elucidated physical-chemical traits leads to an essential bioactivity and biocompatibility of the cement, as revealed by in vitro acellular simulated body fluid and cell culture studies. The compressive strength of the produced cement biomaterial was established to be 25 ± 3 MPa. Furthermore, nanoindentation tests were performed directly on the cement to probe its local elasticity and plasticity at sub-micrometer/micrometer level. The measured elastic modulus and hardness were established to be Es = 23 ± 3.5 and H = 0.7 ± 0.2 GPa, respectively. These values are in close agreement with those reported in literature for trabecular and cortical bones, reflecting good elastic and plastic coherence between synthesized cement biomaterial and human bones. |
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Place of Publication |
Lausanne |
Editor |
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Language |
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Wos |
000270159200008 |
Publication Date |
2009-04-20 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0928-4931; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
4.164 |
Times cited |
18 |
Open Access |
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Notes |
Esteem 026019 |
Approved |
Most recent IF: 4.164; 2009 IF: NA |
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Call Number |
UA @ lucian @ c:irua:79312 |
Serial |
2812 |
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Permanent link to this record |
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Author |
Neira, I.S.; Kolen'ko, Y.V.; Lebedev, O.I.; Van Tendeloo, G.; Gupta, H.S.; Guitián, F.; Yoshimura, M. |
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Title |
An effective morphology control of hydroxyapatite crystals via hydrothermal synthesis |
Type |
A1 Journal article |
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Year |
2009 |
Publication |
Crystal growth & design |
Abbreviated Journal |
Cryst Growth Des |
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Volume |
9 |
Issue |
1 |
Pages |
466-474 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
A facile urea-assisted hydrothermal synthesis and systematic characterization of hydroxyapatite (HA) with calcium nitrate tetrahydrate and diammonium hydrogen phosphate as precursors are reported. The advantage of the proposed technique over previously reported synthetic approaches is the simple but precise control of the HA crystals morphology, which is achieved by employing an intensive, stepwise, and slow thermal decomposition of urea as well as varying initial concentrations of starting reagents. Whereas the plate-, hexagonal prism- and needle-like HA particles preferentially growth along the c-axis, the smaller and fine-plate-like HA crystals demonstrate crystal growth along the (102) and (211) directions, uncommon for HA. Furthermore, it was established that the hydrothermally derived powdered products are phase-pure HA containing CO32− anions in the crystal lattice, that is, AB-type carbonated hydroxyapatite. Transmission electron microscopy (TEM) and electron diffraction (ED) of selected samples reveal that the as-prepared HA crystals are single-crystalline and exhibit a nearly defect-free microstructure. The hardness and elastic modulus of the hexagonal prism-like HA crystals have been investigated on a nanoscale using the nanoindentation technique; the observed trends are discussed. |
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Corporate Author |
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Thesis |
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Place of Publication |
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Wos |
000262332700073 |
Publication Date |
2008-11-21 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1528-7483;1528-7505; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
4.055 |
Times cited |
183 |
Open Access |
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Notes |
Esteem 026019 |
Approved |
Most recent IF: 4.055; 2009 IF: 4.162 |
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Call Number |
UA @ lucian @ c:irua:75740 |
Serial |
853 |
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Permanent link to this record |
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Author |
Nakiboglu, G.; Gorlé, C.; Horvath, I.; van Beeck, J.; Blocken, B. |
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Title |
Stack gas dispersion measurements with large scale-PIV, aspiration probes and light scattering techniques and comparison with CFD |
Type |
A1 Journal article |
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Year |
2009 |
Publication |
Atmospheric environment : an international journal |
Abbreviated Journal |
Atmos Environ |
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Volume |
43 |
Issue |
21 |
Pages |
3396-3406 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
The main purpose of this research is to manage simultaneous measurement of velocity and concentration in large cross-sections by recording and processing images of cloud structures to provide more detailed information for e.g. validation of CFD simulations. Dispersion from an isolated stack in an Atmospheric Boundary Layer (ABL) was chosen as the test case and investigated both experimentally and numerically in a wind tunnel. Large Scale-Particle Image Velocimetry (LS-PIV), which records cloud structures instead of individual particles, was used to obtain the velocity field in a vertical plane. The concentration field was determined by two methods: Aspiration Probe (AP) measurements and Light Scattering Technique (LST). In the latter approach, the same set of images used in the LS-PIV was employed. The test case was also simulated using the CFD solver FLUENT 6.3. Comparison between AP measurements and CFD revealed that there is good agreement when using a turbulent Schmidt number of 0.4. For the LST measurements, a non-linear relation between concentration and light intensity was observed and a hyperbolic-based function is proposed as correction function. After applying this correction function, a close agreement between CFD and LST measurements is obtained. (C) 2009 Elsevier Ltd. All rights reserved. |
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Corporate Author |
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Publisher |
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Place of Publication |
Oxford |
Editor |
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Language |
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Wos |
000267529600013 |
Publication Date |
2009-04-08 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1352-2310; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.629 |
Times cited |
15 |
Open Access |
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Notes |
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Approved |
Most recent IF: 3.629; 2009 IF: 3.139 |
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Call Number |
UA @ lucian @ c:irua:94531 |
Serial |
3147 |
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Permanent link to this record |
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Author |
Müller, K.; Schowalter, M.; Jansen, J.; Tsuda, K.; Titantah, J.; Lamoen, D.; Rosenauer, A. |
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Title |
Refinement of the 200 structure factor for GaAs using parallel and convergent beam electron nanodiffraction data |
Type |
A1 Journal article |
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Year |
2009 |
Publication |
Ultramicroscopy |
Abbreviated Journal |
Ultramicroscopy |
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Volume |
109 |
Issue |
7 |
Pages |
802-814 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
We present a new method to measure structure factors from electron spot diffraction patterns recorded under almost parallel illumination in transmission electron microscopes. Bloch wave refinement routines have been developed to refine the crystal thickness, its orientation and structure factors by comparison of experimentally recorded and calculated intensities. Our method requires a modicum of computational effort, making it suitable for contemporary personal computers. Frozen lattice and Bloch wave simulations of GaAs diffraction patterns are used to derive optimised experimental conditions. Systematic errors are estimated from the application of the method to simulated diffraction patterns and rules for the recognition of physically reasonable initial refinement conditions are derived. The method is applied to the measurement of the 200 structure factor for GaAs. We found that the influence of inelastically scattered electrons is negligible. Additionally, we measured the 200 structure factor from zero loss filtered two-dimensional convergent beam electron diffraction patterns. The precision of both methods is found to be comparable and the results agree well with each other. A deviation of more than 20% from isolated atom scattering data is observed, whereas close agreement is found with structure factors obtained from density functional theory [A. Rosenauer, M. Schowalter, F. Glas, D. Lamoen, Phys. Rev. B 72 (2005), 085326-1], which account for the redistribution of electrons due to chemical bonding via modified atomic scattering amplitudes. |
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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 |
000266787900005 |
Publication Date |
2009-03-23 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0304-3991; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.843 |
Times cited |
8 |
Open Access |
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Notes |
Fwo; G.0425.05; Esteem; Ant 200611271505 |
Approved |
Most recent IF: 2.843; 2009 IF: 2.067 |
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Call Number |
UA @ lucian @ c:irua:77361 |
Serial |
2856 |
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Permanent link to this record |
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Author |
Moshnyaga, V.; Gehrke, K.; Sudheendra, L.; Belenchuk, A.; Raabe, S.; Shapoval, O.; Verbeeck, J.; Van Tendeloo, G.; Samwer, K. |
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Title |
Electrical nonlinearity in colossal magnetoresistance manganite films: relevance of correlated polarons |
Type |
A1 Journal article |
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Year |
2009 |
Publication |
Physical review : B : solid state |
Abbreviated Journal |
Phys Rev B |
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Volume |
79 |
Issue |
13 |
Pages |
134413,1-134413,8 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
The metal-insulator (MI) transition in epitaxial thin films of La0.75Ca0.25MnO3 (LCMO) is accompanied by the appearance of an intrinsic electrical nonlinearity. The latter, probed by electrical third harmonic voltage, U3, or resistance, R3=dU3/dJ, is drastically enhanced in the vicinity of the MI transition, TMI=267 K. Applied magnetic field, B=5 T, suppresses the nonlinearity, resulting in a huge nonlinear CMR3(TMI)~105%. R3 shows a peculiar low-frequency (1 kHz) dependence, R3~(-0)n, with exponent, n, changing across the MI transition from n~1,52 for TTMI to n=1 (T<TMI). The observed electrical nonlinearity in LCMO reflects the behavior of correlated polarons, the number of which dramatically enhances in the vicinity of TMI. We argued that correlated polarons, considered as electric-elastic quadrupoles, provide a nonlinear (quadratic) coupling to the electric field, yielding a third harmonic electric nonlinearity in LCMO. The reference film of La0.7Sr0.3MnO3 (LSMO), a prototypic double exchange system with second-order phase transition, is characterized as a linear metallic material in the whole range of temperatures (T=10400 K), magnetic fields (B=05 T), and frequencies (=11000 Hz). |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Lancaster, Pa |
Editor |
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Language |
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Wos |
000265942800074 |
Publication Date |
2009-04-09 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1098-0121;1550-235X; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.836 |
Times cited |
28 |
Open Access |
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Notes |
Esteem 026019 |
Approved |
Most recent IF: 3.836; 2009 IF: 3.475 |
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Call Number |
UA @ lucian @ c:irua:77022UA @ admin @ c:irua:77022 |
Serial |
893 |
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Permanent link to this record |
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Author |
Mortet, V.; Zhang, L.; Echert, M.; Soltani, A.; d' Haen, J.; Douheret, O.; Moreau, M.; Osswald, S.; Neyts, E.; Troadec, D.; Wagner, P.; Bogaerts, A.; Van Tendeloo, G.; Haenen, K. |
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Title |
Characterization of nano-crystalline diamond films grown under continuous DC bias during plasma enhanced chemical vapor deposition |
Type |
A3 Journal article |
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Year |
2009 |
Publication |
Materials Research Society symposium proceedings |
Abbreviated Journal |
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Volume |
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Issue |
1203 |
Pages |
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Keywords |
A3 Journal article; Electron microscopy for materials research (EMAT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
Nanocrystalline diamond films have generated much interested due to their diamond-like properties and low surface roughness. Several techniques have been used to obtain a high re-nucleation rate, such as hydrogen poor or high methane concentration plasmas. In this work, the properties of nano-diamond films grown on silicon substrates using a continuous DC bias voltage during the complete duration of growth are studied. Subsequently, the layers were characterised by several morphological, structural and optical techniques. Besides a thorough investigation of the surface structure, using SEM and AFM, special attention was paid to the bulk structure of the films. The application of FTIR, XRD, multi wavelength Raman spectroscopy, TEM and EELS yielded a detailed insight in important properties such as the amount of crystallinity, the hydrogen content and grain size. Although these films are smooth, they are under a considerable compressive stress. FTIR spectroscopy points to a high hydrogen content in the films, while Raman and EELS indicate a high concentration of sp2 carbon. TEM and EELS show that these films consist of diamond nano-grains mixed with an amorphous sp2 bonded carbon, these results are consistent with the XRD and UV Raman spectroscopy data. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Wuhan |
Editor |
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Language |
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Wos |
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Publication Date |
2010-03-27 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1946-4274; |
ISBN |
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Additional Links |
UA library record |
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Impact Factor |
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Times cited |
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Open Access |
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Notes |
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Approved |
Most recent IF: NA |
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Call Number |
UA @ lucian @ c:irua:81646 |
Serial |
327 |
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Permanent link to this record |
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Author |
Misko, V.R.; Zhao, H.J.; Peeters, F.M.; Oboznov, V.; Dubonos, S.V.; Grigorieva, I.V. |
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Title |
Formation of vortex shells in mesoscopic superconducting squares |
Type |
A1 Journal article |
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Year |
2009 |
Publication |
Superconductor science and technology |
Abbreviated Journal |
Supercond Sci Tech |
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Volume |
22 |
Issue |
3 |
Pages |
034001,1-034001,8 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
We study vortex configurations in mesoscopic superconducting squares. Our theoretical approach is based on the analytical solution of the London equation using the Green's function method. The potential energy landscape found is then used in Langevin-type molecular-dynamics simulations to obtain stable vortex configurations. We show that the filling rules for vortices in squares with increasing applied magnetic field can be formulated, although in a different manner than in disks, in terms of the formation of vortex 'shells'. We discuss metastable states and the stability of the vortex configurations found with respect to variations of the material parameters and deformations of the shape of the sample. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Bristol |
Editor |
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Language |
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Wos |
000263564500002 |
Publication Date |
2009-01-29 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0953-2048;1361-6668; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.878 |
Times cited |
14 |
Open Access |
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Notes |
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Approved |
Most recent IF: 2.878; 2009 IF: 2.694 |
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Call Number |
UA @ lucian @ c:irua:76312 |
Serial |
1267 |
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Permanent link to this record |
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Author |
Milošević, M.V.; Kanda, A.; Hatsumi, S.; Peeters, F.M.; Ootuka, Y. |
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Title |
Local current injection into mesoscopic superconductors for the manipulation of quantum states |
Type |
A1 Journal article |
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Year |
2009 |
Publication |
Physical review letters |
Abbreviated Journal |
Phys Rev Lett |
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Volume |
103 |
Issue |
21 |
Pages |
217003-217003,4 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
We perform strategic current injection in a small mesoscopic superconductor and control the (non)equilibrium quantum states in an applied homogeneous magnetic field. In doing so, we realize a current-driven splitting of multiquanta vortices, current-induced transitions between states with different angular momenta, and current-controlled switching between otherwise degenerate quantum states. These fundamental phenomena form the basis for the electronic and logic applications discussed, and are confirmed in both theoretical simulations and multiple-small-tunnel-junction transport measurements. |
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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 |
000272054300044 |
Publication Date |
2009-12-04 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0031-9007;1079-7114; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
8.462 |
Times cited |
48 |
Open Access |
|
|
|
Notes |
|
Approved |
Most recent IF: 8.462; 2009 IF: 7.328 |
|
|
Call Number |
UA @ lucian @ c:irua:94498 |
Serial |
1826 |
|
Permanent link to this record |
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|
|
|
Author |
Michel, K.H.; Verberck, B. |
|
|
Title |
Theoretical phonon dispersions in monolayers and multilayers of hexagonal boron-nitride |
Type |
A1 Journal article |
|
Year |
2009 |
Publication |
Physica status solidi: B: basic research |
Abbreviated Journal |
Phys Status Solidi B |
|
|
Volume |
246 |
Issue |
11/12 |
Pages |
2802-2805 |
|
|
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
|
Abstract |
Starting from an empirical force constant model of valence interactions and calculating by Ewald's method the electrostatic force constants, we derive the dynamical matrix for a monolayer and for multilayer systems of hexagonal boron nitride (h-BN). Solution of the secular problem leads to the corresponding phonon dispersion relations. The interplay between valence forces and Coulomb forces is discussed. A comparison with previous results on graphene and graphene multilayers is made. Our spectra on the h-BN monolayer are rather similar to previous ab initio theory results. Comparison is also made with Raman and infrared experimental results. |
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Address |
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Corporate Author |
|
Thesis |
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Publisher |
|
Place of Publication |
Berlin |
Editor |
|
|
|
Language |
|
Wos |
000272904100091 |
Publication Date |
2009-11-12 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
0370-1972; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
1.674 |
Times cited |
10 |
Open Access |
|
|
|
Notes |
|
Approved |
Most recent IF: 1.674; 2009 IF: 1.150 |
|
|
Call Number |
UA @ lucian @ c:irua:80673 |
Serial |
3609 |
|
Permanent link to this record |
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Author |
Michel, K.H.; Verberck, B. |
|
|
Title |
Theory of elastic and piezoelectric effects in two-dimensional hexagonal boron nitride |
Type |
A1 Journal article |
|
Year |
2009 |
Publication |
Physical review : B : solid state |
Abbreviated Journal |
Phys Rev B |
|
|
Volume |
80 |
Issue |
22 |
Pages |
224301,1-224301,10 |
|
|
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
|
Abstract |
Starting from an empirical force constant model of valence interactions and calculating by Ewalds method the ion-ion force constants, we derive the dynamical matrix for a monolayer crystal of hexagonal boron nitride (h-BN). The phonon dispersion relations are calculated. The interplay between valence and Coulomb forces is discussed. It is shown by analytical methods that the longitudinal and the transverse optical (LO and TO) phonon branches for in-plane motion are degenerate at the Γ point of the Brillouin zone. Away from Γ, the LO branch exhibits pronounced overbending. It is found that the nonanalytic Coulomb contribution to the dynamical matrix causes a linear increase of the LO branch with increasing wave vector starting at Γ. This effect is general for two-dimensional (2D) ionic crystals. Performing a long-wavelength expansion of the dynamical matrix, we use Borns perturbation method to calculate the elastic constants (tension coefficients). Since the crystal is noncentrosymmetric, internal displacements due to relative shifts between the two sublattices (B and N) contribute to the elastic constants. These internal displacements are responsible for piezoelectric and dielectric phenomena. The piezoelectric stress constant and the dielectric susceptibility of 2D h-BN are calculated. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Lancaster, Pa |
Editor |
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|
Language |
|
Wos |
000273228500045 |
Publication Date |
2009-12-21 |
|
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Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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|
|
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 |
96 |
Open Access |
|
|
|
Notes |
|
Approved |
Most recent IF: 3.836; 2009 IF: 3.475 |
|
|
Call Number |
UA @ lucian @ c:irua:80576 |
Serial |
3616 |
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Permanent link to this record |
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Author |
Matulis, A.; Peeters, F.M. |
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|
Title |
Analogy between one-dimensional chain models and graphene |
Type |
A1 Journal article |
|
Year |
2009 |
Publication |
American journal of physics |
Abbreviated Journal |
Am J Phys |
|
|
Volume |
77 |
Issue |
7 |
Pages |
595-601 |
|
|
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
|
Abstract |
The electron and hole spectrum in single and bilayer graphene is derived from known one-dimensional models, and the relation between the spectrum and symmetry of the lattice is shown. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
New York, N.Y. |
Editor |
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Language |
|
Wos |
000266976000003 |
Publication Date |
2009-06-11 |
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Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
0002-9505; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
1.069 |
Times cited |
11 |
Open Access |
|
|
|
Notes |
|
Approved |
Most recent IF: 1.069; 2009 IF: 0.779 |
|
|
Call Number |
UA @ lucian @ c:irua:77381 |
Serial |
97 |
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Permanent link to this record |
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Author |
Matthai, C.C.; March, N.H.; Lamoen, D. |
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Title |
Supercooled molecular liquids and the glassy phases of chemically bonded N, P, As, Si and Ge |
Type |
A1 Journal article |
|
Year |
2009 |
Publication |
Physics and chemistry of liquids |
Abbreviated Journal |
Phys Chem Liq |
|
|
Volume |
47 |
Issue |
6 |
Pages |
607-613 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
Glassy phases which have insulating character exist for a variety of monatomic species. By contrast, until recently, it has been possible to make bulk metallic glasses (BMG) by vitrification only for multicomponent systems. After a relatively brief summary on supercooling of a few molecular liquids, we review some of the recently reported results on molecular assemblies of the series N, P, As and amorphous Si and Ge. Based on these results, we suggest that the transition metals with their directional bonding might be suitable candidates for the production of BMG by vitrification. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
London |
Editor |
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Language |
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Wos |
000273047400003 |
Publication Date |
2009-11-10 |
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Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
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|
ISSN |
0031-9104;1029-0451; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
1.145 |
Times cited |
1 |
Open Access |
|
|
|
Notes |
BoF |
Approved |
Most recent IF: 1.145; 2009 IF: 0.580 |
|
|
Call Number |
UA @ lucian @ c:irua:80653 |
Serial |
3376 |
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Permanent link to this record |
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Author |
Masir, M.R.; Vasilopoulos, P.; Peeters, F.M. |
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|
Title |
Magnetic Kronig-Penney model for Dirac electrons in single-layer graphene |
Type |
A1 Journal article |
|
Year |
2009 |
Publication |
New journal of physics |
Abbreviated Journal |
New J Phys |
|
|
Volume |
11 |
Issue |
|
Pages |
095009,1-095009,21 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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|
Abstract |
he properties of Dirac electrons in a magnetic superlattice (SL) on graphene consisting of very high and thin (δ-function) barriers are investigated. We obtain the energy spectrum analytically and study the transmission through a finite number of barriers. The results are contrasted with those for electrons described by the Schrödinger equation. In addition, a collimation of an incident beam of electrons is obtained along the direction perpendicular to that of the SL. We also highlight an analogy with optical media in which the refractive index varies in space. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Bristol |
Editor |
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Language |
|
Wos |
000270513500008 |
Publication Date |
2009-10-01 |
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Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
1367-2630; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
3.786 |
Times cited |
89 |
Open Access |
|
|
|
Notes |
|
Approved |
Most recent IF: 3.786; 2009 IF: 3.312 |
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|
Call Number |
UA @ lucian @ c:irua:79241 |
Serial |
1884 |
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Permanent link to this record |
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Author |
Masir, M.R.; Vasilopoulos, P.; Peeters, F.M. |
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Title |
Tunneling, conductance, and wavevector filtering through magnetic barriers in bilayer graphene |
Type |
A1 Journal article |
|
Year |
2009 |
Publication |
Physical review : B : solid state |
Abbreviated Journal |
Phys Rev B |
|
|
Volume |
79 |
Issue |
3 |
Pages |
035409,1-035409,8 |
|
|
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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|
Abstract |
We evaluate the transmission and conductance through magnetic barrier structures in bilayer graphene. In particular we consider a magnetic step, single and double barriers, -function barriers, as well as barrier structures that have average magnetic field equal to zero. The transmission depends strongly on the direction of the incident electron or hole wavevector and gives the possibility to construct a direction-dependent wavevector filter. The results contrast sharply with previous results on single-layer graphene. In general, the angular range of perfect transmission becomes drastically wider and the gaps narrower. This perfect transmission range decreases with the number of barriers, the barrier width, and the magnetic field. Depending on the structure, a variety of transmission resonances occur that are reflected in the conductance through the structure. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Lancaster, Pa |
Editor |
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Language |
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Wos |
000262978200107 |
Publication Date |
2009-01-14 |
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Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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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 |
80 |
Open Access |
|
|
|
Notes |
|
Approved |
Most recent IF: 3.836; 2009 IF: 3.475 |
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|
Call Number |
UA @ lucian @ c:irua:75983 |
Serial |
3762 |
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Permanent link to this record |
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Author |
Masir, M.R.; Vasilopoulos, P.; Matulis, A.; Peeters, F.M. |
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Title |
Angular confinement and direction-dependent transmission in graphene nanostructures with magnetic barriers |
Type |
A1 Journal article |
|
Year |
2009 |
Publication |
AIP conference proceedings |
Abbreviated Journal |
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|
|
Volume |
1199 |
Issue |
|
Pages |
363-364 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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|
Abstract |
We evaluate the transmission through magnetic barriers in graphene-based nanostructures. Several particular cases are considered: a magnetic step, single and double barriers, delta -function barriers as well as barrier structures with inhomogeneous magnetic field profiles but with average magnetic field equal to zero. The transmission exhibits a strong dependence on the direction of the incident wave vector. In general the resonant structure of the transmission is significantly more pronounced for (Dirac) electrons with linear spectrum compared to that for electrons with a parabolic one. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
|
Place of Publication |
New York |
Editor |
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Language |
|
Wos |
000281590800171 |
Publication Date |
2010-01-15 |
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Series Editor |
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Series Title |
|
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 |
|
ISBN |
|
Additional Links |
UA library record; WoS full record |
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|
Impact Factor |
|
Times cited |
|
Open Access |
|
|
|
Notes |
|
Approved |
Most recent IF: NA |
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|
Call Number |
UA @ lucian @ c:irua:84892 |
Serial |
115 |
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Permanent link to this record |
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|
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Author |
Masir, M.R.; Matulis, A.; Peeters, F.M. |
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Title |
Quasibound states of Schrödinger and Dirac electrons in a magnetic quantum dot |
Type |
A1 Journal article |
|
Year |
2009 |
Publication |
Physical review : B : solid state |
Abbreviated Journal |
Phys Rev B |
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|
Volume |
79 |
Issue |
15 |
Pages |
155451,1-155451,8 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
The properties of a two-dimensional electron are investigated in the presence of a circular step magnetic-field profile. Both electrons with parabolic dispersion as well as Dirac electrons with linear dispersion are studied. We found that in such a magnetic quantum dot no electrons can be confined. Nevertheless close to the Landau levels quasibound states can exist with a rather long lifetime. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Lancaster, Pa |
Editor |
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Language |
|
Wos |
000265944200140 |
Publication Date |
2009-04-30 |
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Series Editor |
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Series Title |
|
Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
3.836 |
Times cited |
55 |
Open Access |
|
|
|
Notes |
|
Approved |
Most recent IF: 3.836; 2009 IF: 3.475 |
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|
Call Number |
UA @ lucian @ c:irua:77026 |
Serial |
2800 |
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Permanent link to this record |
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Author |
Martens, T.; Mihailova, D.; van Dijk, J.; Bogaerts, A. |
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Title |
Theoretical characterization of an atmospheric pressure glow discharge used for analytical spectrometry |
Type |
A1 Journal article |
|
Year |
2009 |
Publication |
Analytical chemistry |
Abbreviated Journal |
Anal Chem |
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|
Volume |
81 |
Issue |
21 |
Pages |
9096-9108 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
We have investigated the plasma processes in an atmospheric pressure glow discharge (APGD) in He used for analytical spectrometry by means of fluid and Monte Carlo (MC) simulations. Typical results include the potential and electric field distributions in the plasma, the density profiles of the various plasma species throughout the discharge, the mean electron energy, as well as the rates of the various collision processes in the plasma, and the relative importance of the different production and loss rates for the various species. The similarities and differences with low-pressure glow discharges are discussed. The main differences are a very small cathode dark space region and a large positive column as well as the dominant role of molecular ions. Some characteristic features of the APGD, such as the occurrence of the different spatial zones in the discharge, are illustrated, with links to experimental observations. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Washington, D.C. |
Editor |
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Language |
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Wos |
000276191900062 |
Publication Date |
2009-10-08 |
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Series Editor |
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Series Title |
|
Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
0003-2700;1520-6882; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
6.32 |
Times cited |
15 |
Open Access |
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|
Notes |
|
Approved |
Most recent IF: 6.32; 2009 IF: 5.214 |
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|
Call Number |
UA @ lucian @ c:irua:79554 |
Serial |
3604 |
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Permanent link to this record |
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Author |
Martens, T.; Brok, W.J.M.; van Dijk, J.; Bogaerts, A. |
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Title |
Improving dielectric barrier discharge efficiency by optimizing voltage profiles |
Type |
P1 Proceeding |
|
Year |
2009 |
Publication |
|
Abbreviated Journal |
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Volume |
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Issue |
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Pages |
95-98 |
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Keywords |
P1 Proceeding; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
S.l. |
Editor |
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Language |
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Wos |
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Publication Date |
0000-00-00 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
|
ISBN |
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Additional Links |
UA library record; WoS full record; |
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Impact Factor |
|
Times cited |
|
Open Access |
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Notes |
|
Approved |
Most recent IF: NA |
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|
Call Number |
UA @ lucian @ c:irua:85693 |
Serial |
1570 |
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Permanent link to this record |
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Author |
Martens, T.; Brok, W.J.M.; van Dijk, J.; Bogaerts, A. |
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Title |
On the regime transitions during the formation of an atmospheric pressure dielectric barrier glow discharge |
Type |
A1 Journal article |
|
Year |
2009 |
Publication |
Journal of physics: D: applied physics |
Abbreviated Journal |
J Phys D Appl Phys |
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Volume |
42 |
Issue |
12 |
Pages |
122002,1-122002,5 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
The atmospheric pressure dielectric barrier discharge in helium is a pulsed discharge in nature. If during the electrical current pulse a glow discharge is reached, then this pulse will last only a few microseconds in operating periods of sinusoidal voltage with lengths of about 10 to 100 µs. In this paper we demonstrate that right before a glow discharge is reached, the discharge very closely resembles the commonly assumed Townsend discharge structure, but actually contains some significant differing features and hence should not be considered as a Townsend discharge. In order to clarify this, we present calculation results of high time and space resolution of the pulse formation. The results indicate that indeed a maximum of ionization is formed at the anode, but that the level of ionization remains high and that the electric field at that time is significantly disturbed. Our results also show where this intermediate structure comes from. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
London |
Editor |
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Language |
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Wos |
000266639300002 |
Publication Date |
2009-05-22 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
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Edition |
|
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|
ISSN |
0022-3727;1361-6463; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
2.588 |
Times cited |
21 |
Open Access |
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|
|
Notes |
|
Approved |
Most recent IF: 2.588; 2009 IF: 2.083 |
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|
Call Number |
UA @ lucian @ c:irua:76458 |
Serial |
2450 |
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Permanent link to this record |
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Author |
Marguí, E.; van Meel, K.; Van Grieken, R.; Buendía, A.; Fontás, C.; Hidalgo, M.; Queralt, I. |
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Title |
Method for the determination of Pd-catalyst residues in active pharmaceutical ingredients by means of high-energy polarized-beam energy dispersive X-ray fluorescence |
Type |
A1 Journal article |
|
Year |
2009 |
Publication |
Analytical chemistry |
Abbreviated Journal |
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Volume |
81 |
Issue |
4 |
Pages |
1404-1410 |
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Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Abstract |
In medicinal chemistry, Pd is perhaps the most-widely utilized precious metal, as catalyst in reactions which represent key transformations toward the synthesis of new active pharmaceutical ingredients (APIs). The disadvantage of this metal-catalyzed chemistry is that expensive and toxic metal residues are invariably left bound to the desired product. Thus, stringent regulatory guidelines exist for the amount of residual Pd that a drug candidate is allowed to contain. In this work, a rapid and simple method for the determination of Pd in API samples by high-energy polarized-beam energy dispersive X-ray fluorescence spectrometry has been developed and validated according to the specification limits of current legislation (10 mg kg−1 Pd) and the International Conference on Harmonisation of Technical Requirements for Registration of Pharmaceuticals for Human Use (ICH guidelines). Sample and calibration standards preparation includes a first step of homogenization and then, in a second step, the pressing of the powdered material into pellets without any chemical treatment. The use of several synthetic calibration standards made of cellulose to simulate the API matrix appears to be an effective means to obtain reliable calibration curves with a good spread of data points over the working range. With the use of the best measuring conditions, the limit of detection (0.11 mg kg−1 Pd) as well as the limit of quantitation (0.37 mg kg−1 Pd) achieved meet rigorous requirements. The repeatability of the XRF measurement appeared to be less than 2%, while the precision of the whole method was around 7%. Trueness was evaluated by analyzing spiked API samples at the level of the specification limit and calculating the recovery factor, which was better than 95%. To study the applicability of the developed methodology for the intended purpose, three batches of the studied API were analyzed for their Pd content, and the attained results were comparable to those obtained by the daily routine method (acid digestion plus atomic spectroscopy) used in most pharmaceutical laboratories. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000263319000015 |
Publication Date |
2009-01-22 |
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Series Editor |
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Series Title |
|
Abbreviated Series Title |
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Series Volume |
|
Series Issue |
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Edition |
|
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|
ISSN |
0003-2700; 5206-882x |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
|
Times cited |
|
Open Access |
|
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Notes |
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Approved |
no |
|
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Call Number |
UA @ admin @ c:irua:74340 |
Serial |
8220 |
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Permanent link to this record |
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Author |
Margu'i', E.; Queralt, I.; Van Grieken, R. |
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Title |
X-ray fluorescence analysis, sample preparation for |
Type |
H1 Book chapter |
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Year |
2009 |
Publication |
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Abbreviated Journal |
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Volume |
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Issue |
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Pages |
1-20
T2 - Sncyclopedia of analytical chemistry / M |
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Keywords |
H1 Book chapter; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Wos |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
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ISBN |
978-0-471-97670-7 |
Additional Links |
UA library record |
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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 |
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Call Number |
UA @ admin @ c:irua:81641 |
Serial |
8765 |
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Permanent link to this record |
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Author |
Mao, D.; van de Weghe, H.; Lookman, R.; Vanermen, G.; de Brucker, N.; Diels, L. |
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Title |
Resolving the unresolved complex mixture in motor oils using high-performance liquid chromatography followed by comprehensive two-dimensional gas chromatography |
Type |
A1 Journal article |
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Year |
2009 |
Publication |
Fuel |
Abbreviated Journal |
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Volume |
88 |
Issue |
2 |
Pages |
312-318 |
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Keywords |
A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL) |
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Abstract |
High-performance liquid chromatography (HPLC) followed by comprehensive two-dimensional gas chromatography (GC×GC) was used for detailed group-type characterization of hydrocarbons present in motor oils. With conventional GC, motor oil is not well separated due to its complexity, resulting in a hump in the chromatogram: the unresolved complex mixture (UCM). With HPLC-GC×GC, motor oil hydrocarbons can be quantitatively separated into four major groups: alkanes, cycloalkanes, alkenes and aromatics. Each group can be further separated and divided by ring number or carbon number. Three selected motor oil samples were characterized by HPLC-GC×GC including two conventional motor oils and a synthetic motor oil. Using a proprietary silver-modified HPLC column, the aromatic components in motor oils were baseline separated from the aliphatic UCM and were then further separated by GC×GC based on their aromatic ring numbers. Accordingly, the aliphatic components were separated by GC×GC based on their saturated ring numbers. This paper illustrates the capabilities of HPLC-GC×GC for reliable and detailed quantitative group-type characterization of hydrocarbons present in motor oils. |
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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 |
000262129000011 |
Publication Date |
2008-09-27 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0016-2361 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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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 |
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Call Number |
UA @ admin @ c:irua:75748 |
Serial |
8474 |
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Permanent link to this record |
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Author |
Mao, D.; Lookman, R.; van de Weghe, H.; Weltens, R.; Vanermen, G.; de Brucker, N.; Diels, L. |
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Title |
Combining HPLC-GCXGC, GCXGC/ToF-MS, and selected ecotoxicity assays for detailed monitoring of petroleum hydrocarbon degradation in soil and leaching water |
Type |
A1 Journal article |
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Year |
2009 |
Publication |
Environmental science and technology |
Abbreviated Journal |
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Volume |
43 |
Issue |
20 |
Pages |
7651-7657 |
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Keywords |
A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL) |
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Abstract |
HPLC-GCXGC/FID (high-performance liquid chromatography followed by comprehensive two-dimensional gas chromatography with flame-ionization detection) and GCXGC/ToF-MS (comprehensive two-dimensional gas chromatography with time-of-flight mass spectrometry) were used to study the biodegradation of petroleum hydrocarbons in soil microcosms during 20 weeks. Two soils were studied: one spiked with fresh diesel and one field sample containing weathered diesel-like oil. Nutrient amended and unamended samples were included. Total petroleum hydrocarbon (TPH) levels in spiked soil decreased from 15000 to 7500 mg/kg d.m. and from 12000 to 4000 mg/kg d.m. in the field soil. Linear alkanes and aromatic hydrocarbons were better biodegradable (>60% degraded) than iso-alkanes; cycloalkanes were least degradable (<40%). Aromatic hydrocarbons up to three rings showed better degradability than n-alkanes. GCXGC/ToF-MS analysis of leaching water showed that initially various oxygenated hydrocarbons were produced. Compound peaks seemed to move up and rightward in the GCXGC chromatograms, indicating that more polar and heavier compounds were formed as biodegradation proceeded. Nutrient amendment can increase TPH removal rates, but had adverse effects on ecotoxicity and leaching potential in our experiment. This was explained by observed shifts in the soil microbial community. Ecotoxicity assays showed that residual TPH still inhibited cress (Lepidium sativum) seed germination, but the leaching water was no longer toxic toward luminescent bacteria (Vibrio fischeri). |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000270594900014 |
Publication Date |
2009-09-18 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0013-936x; 1520-5851 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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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 |
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Call Number |
UA @ admin @ c:irua:79168 |
Serial |
7683 |
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Permanent link to this record |
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Author |
Mao, D.; Lookman, R.; van de Weghe, H.; Weltens, R.; Vanermen, G.; Brucker, N.; Diels, L. |
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Title |
Estimation of ecotoxicity of petroleum hydrocarbon mixtures in soil based on HPLC-GCXGC analysis |
Type |
A1 Journal article |
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Year |
2009 |
Publication |
Chemosphere |
Abbreviated Journal |
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Volume |
77 |
Issue |
11 |
Pages |
1508-1513 |
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Keywords |
A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL) |
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Abstract |
Detailed HPLCGCXGC/FID (high performance liquid chromatography followed by comprehensive two-dimensional gas chromatography with flame-ionization detection) analysis of oil-contaminated soils was performed to interpret results of selected acute ecotoxicity assays. For the five ecotoxicity assays tested, plant seed germination and Microtox® were selected as most sensitive for evaluating ecotoxicity of the oil in the soil phase and in the leaching water, respectively. The measured toxicity for cress when testing the soil samples did not correspond to TPH concentration in the soil. A detailed chemical composition analysis of the oil contamination using HPLCGCXGC/FID allows to better predict the ecotoxicological risk and leaching potential of petroleum hydrocarbons in soil. Cress biomass production per plant was well correlated to the total aromatic hydrocarbon concentration (R2 = 0.79, n = 6), while cress seed germination was correlated (R2 = 0.82, n = 6) with total concentration of highly water-soluble aromatic hydrocarbons (HSaromatics). The observed ecotoxicity of the leaching water for Microtox-bacteria related well to calculated (based on the HPLCGCXGC/FID results) petroleum hydrocarbon equilibrium concentrations in water. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000272598700008 |
Publication Date |
2009-10-31 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0045-6535; 1879-1298 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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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 |
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Call Number |
UA @ admin @ c:irua:80310 |
Serial |
7935 |
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Permanent link to this record |
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Author |
Mao, D.; Lookman, R.; van de Weghe, H.; Vanermen, G.; de Brucker, N.; Diels, L. |
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Title |
Aqueous solubility calculation for petroleum mixtures in soil using comprehensive two-dimensional gas chromatography analysis data |
Type |
A1 Journal article |
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Year |
2009 |
Publication |
Journal of chromatography : A |
Abbreviated Journal |
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Volume |
1216 |
Issue |
14 |
Pages |
2873-2880 |
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Keywords |
A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL) |
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Abstract |
An assessment of aqueous solubility (leaching potential) of soil contaminations with petroleum hydrocarbons (TPH) is important in the context of the evaluation of (migration) risks and soil/groundwater remediation. Field measurements using monitoring wells often overestimate real TPH concentrations in case of presence of pure oil in the screened interval of the well. This paper presents a method to calculate TPH equilibrium concentrations in groundwater using soil analysis by high-performance liquid chromatography followed by comprehensive two-dimensional gas chromatography (HPLCGCXGC). The oil in the soil sample is divided into 79 defined hydrocarbon fractions on two GCXGC color plots. To each of these fractions a representative water solubility is assigned. Overall equilibrium water solubility of the non-aqueous phase liquid (NAPL) present in the sample and the water phase's chemical composition (in terms of the 79 fractions defined) are then calculated using Raoult's law. The calculation method was validated using soil spiked with 13 different TPH mixtures and 1 field-contaminated soil. Measured water solubilities using a column recirculation equilibration experiment agreed well to calculated equilibrium concentrations and water phase TPH composition. |
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Publisher |
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Place of Publication |
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Editor |
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Wos |
000264730900020 |
Publication Date |
2008-08-27 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0021-9673 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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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 |
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Call Number |
UA @ admin @ c:irua:76414 |
Serial |
7492 |
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Permanent link to this record |
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Author |
Mao, D.; Lookman, R.; van de Weghe, H.; Vanermen, G.; de Brucker, N.; Diels, L. |
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Title |
Detailed analysis of petroleum hydrocarbon attenuation in biopiles by high-performance liquid chromatography followed by comprehensive two-dimensional gas chromatography |
Type |
A1 Journal article |
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Year |
2009 |
Publication |
Journal of chromatography : A |
Abbreviated Journal |
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Volume |
1216 |
Issue |
9 |
Pages |
1524-1527 |
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Keywords |
A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL) |
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Abstract |
Enhanced bioremediation of petroleum hydrocarbons in two biopiles was quantified by high-performance liquid chromatography (HPLC) followed by comprehensive two-dimensional gas chromatography (GCXGC). The attenuation of 34 defined hydrocarbon classes was calculated by HPLCGCXGC analysis of representative biopile samples at start-up and after 18 weeks of biopile operation. In general, a-cyclic alkanes were most efficiently removed from the biopiles, followed by monoaromatic hydrocarbons. Cycloalkanes and polycyclic aromatic hydrocarbons (PAHs) were more resistant to degradation. A-cyclic biomarkers farnesane, trimethyl-C13, norpristane, pristane and phytane dropped to only about 10% of their initial concentrations. On the other hand, C29C31 hopane concentrations remained almost unaltered after 18 weeks of biopile operation, confirming their resistance to biodegradation. They are thus reliable indicators to estimate attenuation potential of petroleum hydrocarbons in biopile processed soils. |
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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 |
000263610500035 |
Publication Date |
2009-01-07 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0021-9673 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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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 |
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Call Number |
UA @ admin @ c:irua:76320 |
Serial |
7769 |
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Permanent link to this record |
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Author |
Mandal, T.K.; Croft, M.; Hadermann, J.; Van Tendeloo, G.; Stephens, P.W.; Greenblatt, M. |
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Title |
La2MnVO6 double perovskite: a structural, magnetic and X-ray absorption investigation |
Type |
A1 Journal article |
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Year |
2009 |
Publication |
Journal of materials chemistry |
Abbreviated Journal |
J Mater Chem |
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Volume |
19 |
Issue |
25 |
Pages |
4382-4390 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
The synthesis, electron diffraction (ED), synchrotron X-ray and neutron structure, X-ray absorption spectroscopy (XAS) and magnetic property studies of La2MnVO6 double perovskite are described. Analysis of the synchrotron powder X-ray diffraction data for La2MnVO6 indicates a disordered arrangement of Mn and V at the B-site of the perovskite structure. Absence of super-lattice reflections in the ED patterns for La2MnVO6 supports the disordered cation arrangement. Room temperature time-of-flight (TOF) neutron powder diffraction (NPD) data show no evidence of cation ordering, in corroboration with the ED and synchrotron studies (orthorhombic Pnma, a = 5.6097(3), b = 7.8837(5) and c = 5.5668(3) ; 295 K, NPD). A comparison of XAS analyses of La2TVO6 with T = Ni and Co shows T2+ formal oxidation state while the T = Mn material evidences a Mn3+ admixture into a dominantly Mn2+ ground state. V-K edge measurements manifest a mirror image behavior with a V4+ state for T = Ni and Co with a V3+ admixture arising in the T = Mn material. The magnetic susceptibility data for La2MnVO6 show ferromagnetic correlations; the observed effective moment, µeff (5.72 µB) is much smaller than the calculated moment (6.16 µB) based on the spin-only formula for Mn2+ (d5, HS) /V4+ (d1), supportive of the partly oxidized Mn and reduced V scenario (Mn3+/V3+). |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Cambridge |
Editor |
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Language |
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Wos |
000266989800015 |
Publication Date |
2009-04-24 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0959-9428;1364-5501; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
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Times cited |
10 |
Open Access |
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Notes |
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Approved |
Most recent IF: NA |
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Call Number |
UA @ lucian @ c:irua:77367 |
Serial |
3540 |
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Permanent link to this record |