Records |
Author |
Guttmann, P.; Bittencourt, C.; Ke, X.; Van Tendeloo, G.; Umek, P.; Arcon, D.; Ewels, C.P.; Rehbein, S.; Heim, S.; Schneider, G. |
Title |
TXM-NEXAFS of TiO2-based nanostructures |
Type |
P1 Proceeding |
Year |
2011 |
Publication |
AIP conference proceedings |
Abbreviated Journal |
|
Volume |
1365 |
Issue |
|
Pages |
437-440 |
Keywords |
P1 Proceeding; Electron microscopy for materials research (EMAT) |
Abstract |
In this work, electronic properties of individual TiOx-pristine nanoribbons (NR) prepared by hydrothermal treatment of anatase TiO(2) micro-particles were studied using the HZB transmission x-ray microscope (TXM) at the BESSY II undulator beamline U41-FSGM. NEXAFS is ideally suited to study TiO(2)-based materials because both the O K-edge and Ti L-edge features are very sensitive to the local bonding environment, providing diagnostic information about the crystal structures and oxidation states of various forms of titanium oxides and sub-oxides. TXM-NEXAFS combines full-field x-ray microscopy with spectroscopy, allowing the study of the electronic structure of individual nanostructures with spatial resolution better than 25 nm and a spectral resolution of up to E/Delta E = 10000. The typical image field in TXM-NEXAFS measurements is about 10 mu m. 10 mu m, which is large compared to the individual nanoparticle. Therefore, one image stack already contains statistically significant data. In addition, the directional electric field vector ((E) over bar) of the x-rays can be used as a “search tool” for the direction of chemical bonds of the atom selected by its absorption edge. |
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 |
Editor |
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Language |
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Wos |
000298672400103 |
Publication Date |
2011-09-19 |
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 |
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ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
|
Times cited |
2 |
Open Access |
|
Notes |
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Approved |
Most recent IF: NA |
Call Number |
UA @ lucian @ c:irua:113071 |
Serial |
3789 |
Permanent link to this record |
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|
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Author |
Buydens, L.; van Espen, P.; Rutan, S. |
Title |
CAC-2010 : Twelfth international conference on chemometrics in analytical chemistry |
Type |
Editorial |
Year |
2011 |
Publication |
Analytica chimica acta |
Abbreviated Journal |
|
Volume |
705 |
Issue |
1/2 |
Pages |
1 |
Keywords |
Editorial; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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 |
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Editor |
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Language |
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Wos |
000295993900001 |
Publication Date |
2011-08-14 |
Series Editor |
|
Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0003-2670; 1873-4324 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
Impact Factor |
|
Times cited |
|
Open Access |
|
Notes |
|
Approved |
no |
Call Number |
UA @ admin @ c:irua:93573 |
Serial |
7570 |
Permanent link to this record |
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Author |
Jehanathan, N.; Georgieva, V.; Saraiva, M.; Depla, D.; Bogaerts, A.; Van Tendeloo, G. |
Title |
The influence of Cr and Y on the micro structural evolution of Mg―Cr―O and Mg―Y―O thin films |
Type |
A1 Journal article |
Year |
2011 |
Publication |
Thin solid films : an international journal on the science and technology of thin and thick films |
Abbreviated Journal |
Thin Solid Films |
Volume |
519 |
Issue |
16 |
Pages |
5388-5396 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT); Electron microscopy for materials research (EMAT) |
Abstract |
The compositional influence of Cr and Y on the microstructure of Mg―Cr―O, and Mg―Y―O films synthesized by reactive magnetron sputtering has been investigated by transmission electron microscopy, X-ray diffraction and molecular dynamics simulations. A decrease in crystallinity is observed in these films as the M (Cr or Y) content is increased. It is found that M forms a solid solution with MgO for metal ratios up to ~ 70% and ~ 50% for Cr and Y respectively. Above ~ 70% Cr metal ratio the Mg―Cr―O films are found to be completely amorphous. The Mg―Y―O films are composed of Mg(Y)O and Y2O3 nano crystallites, up to ~ 50% Y metal ratio. Above this ratio, only Y2O3 nano crystallites are found. The preferential < 111> MgO grain alignment is strongly affected by the increase in M content. For M metal ratios up to ~ 50%, there is a selective promotion of the < 100> MgO grain alignments and a decline in the < 111> grain alignments. |
Address |
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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 |
000292573500013 |
Publication Date |
2011-02-26 |
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 |
|
Edition |
|
ISSN |
0040-6090; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
1.879 |
Times cited |
4 |
Open Access |
|
Notes |
Iwt |
Approved |
Most recent IF: 1.879; 2011 IF: 1.890 |
Call Number |
UA @ lucian @ c:irua:89516 |
Serial |
1618 |
Permanent link to this record |
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Author |
Scipioni, R.; Matsubara, M.; Ruiz, E.; Massobrio, C.; Boero, M. |
Title |
Thermal behavior of Si-doped fullerenes vs their structural stability at T = 0 K : a density functional study |
Type |
A1 Journal article |
Year |
2011 |
Publication |
Chemical physics letters |
Abbreviated Journal |
Chem Phys Lett |
Volume |
510 |
Issue |
1/3 |
Pages |
14-17 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
We establish the topological conditions underlying the thermal stability of C30Si30 clusters. Two topologies have been considered: a segregated one, where Si and C atoms lie on neighboring and yet, separated parts of the cage, and a non-segregated one, where the number of SiC bonds is maximized. The segregated network is energetically favored against the non-segregated one, both structures being fully relaxed at T = 0 K. Conversely, the non-segregated structure is the only one stable at finite temperatures, regardless of the nature of the local states (d or p) included in the KleynmanBylander construction. |
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 |
000291478400002 |
Publication Date |
2011-05-20 |
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 |
0009-2614; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
1.815 |
Times cited |
14 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 1.815; 2011 IF: 2.337 |
Call Number |
UA @ lucian @ c:irua:90453 |
Serial |
3625 |
Permanent link to this record |
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Author |
Van Aert, S.; Batenburg, K.J.; Rossell, M.D.; Erni, R.; Van Tendeloo, G. |
Title |
Three-dimensional atomic imaging of crystalline nanoparticles |
Type |
A1 Journal article |
Year |
2011 |
Publication |
Nature |
Abbreviated Journal |
Nature |
Volume |
470 |
Issue |
7334 |
Pages |
374-377 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Vision lab |
Abstract |
Determining the three-dimensional (3D) arrangement of atoms in crystalline nanoparticles is important for nanometre-scale device engineering and also for applications involving nanoparticles, such as optoelectronics or catalysis. A nanoparticles physical and chemical properties are controlled by its exact 3D morphology, structure and composition1. Electron tomography enables the recovery of the shape of a nanoparticle from a series of projection images2, 3, 4. Although atomic-resolution electron microscopy has been feasible for nearly four decades, neither electron tomography nor any other experimental technique has yet demonstrated atomic resolution in three dimensions. Here we report the 3D reconstruction of a complex crystalline nanoparticle at atomic resolution. To achieve this, we combined aberration-corrected scanning transmission electron microscopy5, 6, 7, statistical parameter estimation theory8, 9 and discrete tomography10, 11. Unlike conventional electron tomography, only two images of the targeta silver nanoparticle embedded in an aluminium matrixare sufficient for the reconstruction when combined with available knowledge about the particles crystallographic structure. Additional projections confirm the reliability of the result. The results we present help close the gap between the atomic resolution achievable in two-dimensional electron micrographs and the coarser resolution that has hitherto been obtained by conventional electron tomography. |
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 |
000287409100037 |
Publication Date |
2011-02-02 |
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 |
|
Edition |
|
ISSN |
0028-0836;1476-4687; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
40.137 |
Times cited |
341 |
Open Access |
|
Notes |
Esteem 026019 |
Approved |
Most recent IF: 40.137; 2011 IF: 36.280 |
Call Number |
UA @ lucian @ c:irua:86745 |
Serial |
3644 |
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 |
|
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. |
Address |
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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 |
2011-07-06 |
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 |
0171-8630;1616-1599; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.292 |
Times cited |
18 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 2.292; 2011 IF: 2.711 |
Call Number |
UA @ lucian @ c:irua:93682 |
Serial |
414 |
Permanent link to this record |
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Author |
Nikolova, I.; Janssen, S.; Vos, P.; Vrancken, K.; Mishra, V.; Berghmans, P. |
Title |
Dispersion modelling of traffic induced ultrafine particles in a street canyon in Antwerp, Belgium and comparison with observations |
Type |
A1 Journal article |
Year |
2011 |
Publication |
The science of the total environment |
Abbreviated Journal |
|
Volume |
412 |
Issue |
|
Pages |
336-343 |
Keywords |
A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
Abstract |
The aim of this study is to investigate the dispersion of ultrafine particles and its spatial distribution in a street canyon and its neighbourhood with the 3D CFD model ENVI-met®. The performance of the model at street scale is evaluated and the importance of the boundary conditions like wind field and traffic emissions on the UFP concentration is demonstrated. To support and validate the modelled results, a short-term measurement campaign was conducted in a street canyon in Antwerp, Belgium. The UFP concentration was measured simultaneously with P-TRACK (TSI Model 8525) at four different locations in the canyon. The modelled UFP concentrations compare well with the measured data (correlation coefficient R from 0.44 to 0.93) within the standard deviation of the measurements. Despite the moderate traffic flow in the street canyon, UFP concentrations in the canyon are in general double of the background concentrations, indicating the high local contribution for this particle number concentration. Some of the observed concentration profiles are not resembled by the model simulations. For these specific anomalies, further analysis is performed and plausible explanations are put forward. The role of wind direction and traffic emissions is investigated. The performance evaluation of ENVI-met® shows that in general the model qualitatively and quantitatively describes the dispersion of UFP in the street canyon study. |
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 |
000298534300038 |
Publication Date |
2011-10-28 |
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 |
0048-9697; 1879-1026 |
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:94377 |
Serial |
7815 |
Permanent link to this record |
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Author |
Nikolova, I.; Janssen, S.; Vrancken, K.; Vos, P.; Mishra, V.; Berghmans, P. |
Title |
Size resolved ultrafine particles emission model : a continues size distribution approach |
Type |
A1 Journal article |
Year |
2011 |
Publication |
The science of the total environment |
Abbreviated Journal |
|
Volume |
409 |
Issue |
18 |
Pages |
3492-3499 |
Keywords |
A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
Abstract |
A new parameterization for size resolved ultrafine particles (UFP) traffic emissions is proposed based on the results of PARTICULATES project (Samaras et al., 2005). It includes the emission factors from the Emission Inventory Guidebook (2006) (total number of particles, #/km/veh), the shape of the corresponding particle size distribution given in PARTICULATES and data for the traffic activity. The output of the model UFPEM (UltraFine Particle Emission Model) is a sum of continuous distributions of ultrafine particles emissions per vehicle type (passenger cars and heavy duty vehicles), fuel (petrol and diesel) and average speed representative for urban, rural and highway driving. The results from the parameterization are compared with measured total number of ultrafine particles and size distributions in a tunnel in Antwerp (Belgium). The measured UFP concentration over the entire campaign shows a close relation to the traffic activity. The modelled concentration is found to be lower than the measured in the campaign. The average emission factor from the measurement is 4.29E + 14 #/km/veh whereas the calculated is around 30% lower. A comparison of emission factors with literature is done as well and in overall a good agreement is found. For the size distributions it is found that the measured distributions consist of three modes Nucleation, Aitken and accumulation and most of the ultrafine particles belong to the Nucleation and the Aitken modes. The modelled Aitken mode (peak around 0.040.05 μm) is found in a good agreement both as amplitude of the peak and the number of particles whereas the modelled Nucleation mode is shifted to smaller diameters and the peak is much lower that the observed. Time scale analysis shows that at 300 m in the tunnel coagulation and deposition are slow and therefore neglected. The UFPEM emission model can be used as a source term in dispersion models. |
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 |
000293260100026 |
Publication Date |
2011-06-19 |
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 |
0048-9697; 1879-1026 |
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:91949 |
Serial |
8546 |
Permanent link to this record |
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|
Author |
Jain, R.; Rather, J.A. |
Title |
Stripping voltammetry of tinidazole in solubilized system and biological fluids |
Type |
A1 Journal article |
Year |
2011 |
Publication |
Colloids and surfaces: A: physicochemical and engineering aspects |
Abbreviated Journal |
|
Volume |
378 |
Issue |
|
Pages |
27-33 |
Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
Abstract |
The adsorptive voltammetric behaviour of tinidazole onto the HMDE was investigated and validated in solubilized system and biological fluids by CV, SWCAdSV and DPCAdSV. Addition of CTAB to the solution containing drug enhanced the peak current while anionic and non-ionic surfactants showed an opposite effect. The electrode process is irreversible and adsorption controlled. Various chemical and instrumental parameters affecting the monitored electroanalytical response were investigated and optimized for tinidazole determination. Under optimized conditions; the adsorptive stripping peak current is linear over the concentration range 7.0 × 10−9 to 6.2 × 10−7 mol/L with detection limit of 4.5 × 10−10 mol/L. The precision of the proposed method in terms of RSD is 1.2% and mean recovery of 100.01%. The applicability of proposed method is further extended to in vitro determination of the drug in biological fluids. |
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 |
000289544600004 |
Publication Date |
2011-02-02 |
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 |
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ISSN |
0927-7757 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
|
Times cited |
|
Open Access |
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Notes |
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Approved |
no |
Call Number |
UA @ admin @ c:irua:98688 |
Serial |
8584 |
Permanent link to this record |
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Author |
Buysse, C.; Kovalevsky, A.; Snijkers, F.; Buekenhoudt, A.; Mullens, S.; Luyten, J.; Kretzschmar, J.; Lenaerts, S. |
Title |
Development, performance and stability of sulfur-free, macrovoid-free BSCF capillaries for high temperature oxygen separation from air |
Type |
A1 Journal article |
Year |
2011 |
Publication |
Journal of membrane science |
Abbreviated Journal |
J Membrane Sci |
Volume |
372 |
Issue |
1/2 |
Pages |
239-248 |
Keywords |
A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
Abstract |
Capture and storage of CO2 (CCS) from fossil-fuel power plants is vital in order to counteract a pending anthropogenic global warming. High temperature oxygen transport perovskite membranes can fulfill an important role in the separation of oxygen from air needed in the oxy-fuel technologies for CCS. In this study we present the development, performance and stability of gastight, macrovoid-free and sulfur-free Ba0.5Sr0.5Co0.8Fe0.2O3 − δ (BSCF) mixed conductor capillary membranes prepared by phase-inversion spinning and sintering. A sulfur-free phase-inversion polymer was chosen in order to obtain a phase-pure BSCF crystal phase. Special attention was given to the polymer solution and ceramic spinning suspension in order to avoid macrovoids and achieve gastight membranes. The sulfur-free BSCF capillaries showed an average 4-point bending strength of 64 ± 8 MPa and a maximum oxygen flux of not, vert, similar5.3 Nml/(cm2 min) at 950 °C for an argon sweep flow rate of 125 Nml/min. The comparison of the performance of sulfur-free and sulfur-containing BSCF capillaries with similar dimensions revealed a profound impact of the sulfur contamination on both the oxygen flux and the activation energy of the overall oxygen transport mechanism. Both long-term oxygen permeation at different temperatures and post-operation analysis of a sulfur-free BSCF capillary were performed and 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 |
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Editor |
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Language |
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Wos |
000289829200026 |
Publication Date |
2011-02-17 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
|
ISSN |
0376-7388 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
6.035 |
Times cited |
32 |
Open Access |
|
Notes |
; The authors want to express their thanks to the VITO staff for their continuous support, especially B. Molenberghs, W. Doyen, H. Beckers, R. Kemps, M. Mertens, M. Schoeters and H. Chen. C. Buysse thankfully acknowledges a PhD scholarship provided by VITO and the University of Antwerp. This work is performed in the framework of the German Helmholtz Alliance Project “MEM-BRAIN”, aiming at the development of gas separation membranes for zero-emission fossil fuel power plants. ; |
Approved |
Most recent IF: 6.035; 2011 IF: 3.850 |
Call Number |
UA @ admin @ c:irua:89916 |
Serial |
5942 |
Permanent link to this record |
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Author |
Kovalevsky, A.; Buysse, C.; Snijkers, F.; Buekenhoudt, A.; Luyten, J.; Kretzschmar, J.; Lenaerts, S. |
Title |
Oxygen exchange-limited transport and surface activation of Ba0.5Sr0.5Co0.8Fe0.2O3-\delta capillary membranes |
Type |
A1 Journal article |
Year |
2011 |
Publication |
Journal of membrane science |
Abbreviated Journal |
J Membrane Sci |
Volume |
368 |
Issue |
1/2 |
Pages |
223-232 |
Keywords |
A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
Abstract |
Analysis of oxygen permeation fluxes through Ba0.5Sr0.5Co0.8Fe0.2O3−δ (BSCF) capillary membranes, fabricated via a phase-inversion spinning technique using polysulfone as binder, showed a significant limiting role of the surface-oxygen exchange kinetics. Within the studied temperature and oxygen partial pressure ranges, the activation of core and shell sides of the BSCF capillary with praseodymium oxide (PrOx) resulted in an increase in permeation rate of about 300%. At 11231223 K the activated BSCF membranes demonstrate almost 3-times lower activation energies for the overall oxygen transport (not, vert, similar35 kJ/mol) than the non-activated capillaries, indicating that the mechanism of oxygen transport through the activated capillaries becomes significantly controlled by bulk diffusion limitations, allowing further improvement of the overall performance by decreasing the wall thickness. XRD, EDS and EPMA studies revealed the formation of (Pr,Ba,Sr)(Co,Fe)O3−δ perovskite-type oxides on the surface of the PrOx-modified membranes, which may be responsible for the drastic increase in oxygen exchange rate. At T > 1123 K both non-activated and activated Ba0.5Sr0.5Co0.8Fe0.2O3−δ membranes demonstrate stable performance with time, while at 1073 K only a small initial decrease in permeation was observed. |
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 |
000286701800027 |
Publication Date |
2010-11-21 |
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 |
0376-7388 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
6.035 |
Times cited |
21 |
Open Access |
|
Notes |
; This work was supported by the German Helmholtz Alliance Project “MEM-BRAIN”, aiming at the development of gas separation membranes for zero-emission fossil fuel power plants. Experimental assistance of B. Molenberghs, W. Doyen, H. Chen, R. Kemps, M. Mertens, I. Thijs, and W. Bouwen (VITO) is gratefully acknowledged. ; |
Approved |
Most recent IF: 6.035; 2011 IF: 3.850 |
Call Number |
UA @ admin @ c:irua:88072 |
Serial |
5975 |
Permanent link to this record |
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Author |
Klimczuk, T.; Wang, C.H.; Xu, Q.; Lawrence, J.; Durakiewicz, T.; Ronning, F.; Llobet, A.; Bauer, E.D.; Griveau, J.-C.; Sadowski, W.; Zandbergen, H.W.; Thompson, J.D.; Cava, R.J. |
Title |
Crystal growth of CsCl-type Yb0.24Sn0.76Ru |
Type |
A1 Journal article |
Year |
2011 |
Publication |
Journal of crystal growth |
Abbreviated Journal |
J Cryst Growth |
Volume |
318 |
Issue |
1 |
Pages |
1005-1008 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
The YbRuSn ternary system was investigated and a new material, Yb0.24Sn0.76Ru, with a simple cubic crystal structure, was discovered. Yb0.24Sn0.76Ru has a smaller lattice parameter a=3.217(4) Å, than its isostructural YbRu analogue (a=3.360 Å). Both X-ray diffraction and electron microscopy techniques were used to refine the crystal structure of Yb0.24Sn0.76Ru. It was found that a new compound forms in the CsCl structure, with Ru on the 1a site and a (Yb, Sn) mixture on site 1b. The XRD Rietveld analysis provides the occupation of Yb equal to 0.24, in agreement with the single crystal nano-electron diffraction refinement, which gives the occupation 0.21. |
Address |
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Corporate Author |
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Thesis |
|
Publisher |
|
Place of Publication |
Amsterdam |
Editor |
|
Language |
|
Wos |
000289653900220 |
Publication Date |
2010-10-26 |
Series Editor |
|
Series Title |
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Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0022-0248; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
1.751 |
Times cited |
1 |
Open Access |
|
Notes |
Esteem 026019 |
Approved |
Most recent IF: 1.751; 2011 IF: 1.726 |
Call Number |
UA @ lucian @ c:irua:89966 |
Serial |
556 |
Permanent link to this record |
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|
|
Author |
Mao, M.; Bogaerts, A. |
Title |
Plasma chemistry modeling for an inductively coupled plasma used for the growth of carbon nanotubes |
Type |
A1 Journal article |
Year |
2011 |
Publication |
Journal of physics : conference series |
Abbreviated Journal |
|
Volume |
275 |
Issue |
1 |
Pages |
012021,1-012021,9 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
A hybrid model, called the hybrid plasma equipment model (HPEM), is used to describe the plasma chemistry in an inductively coupled plasma, operating in a gas mixture of C2H2 with either H2 or NH3, as typically used for carbon nanotube (CNT) growth. Two-dimensional profiles of power density, electron temperature and density, gas temperature, and densities of some plasma species are plotted and analyzed. Besides, the fluxes of the various plasma species towards the substrate (where the CNTs can be grown), as well as the decomposition rates of the feedstock gases (C2H2, NH3 and H2), are calculated as a function of the C2H2 fraction in both gas mixtures. |
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 |
|
Language |
|
Wos |
|
Publication Date |
2011-02-09 |
Series Editor |
|
Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1742-6596; |
ISBN |
|
Additional Links |
UA library record |
Impact Factor |
|
Times cited |
|
Open Access |
|
Notes |
|
Approved |
Most recent IF: NA |
Call Number |
UA @ lucian @ c:irua:85859 |
Serial |
2631 |
Permanent link to this record |
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|
|
Author |
Michel, K.H.; Verberck, B. |
Title |
Theory of phonon dispersions and piezoelectricity in multilayers of hexagonal boron-nitride |
Type |
A1 Journal article |
Year |
2011 |
Publication |
Physica status solidi: B: basic research |
Abbreviated Journal |
Phys Status Solidi B |
Volume |
248 |
Issue |
11 |
Pages |
2720-2723 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
Taking into account covalent, Coulomb and van der Waals interactions, we construct the dynamical matrix and calculate the phonon dispersion relations for multilayer crystals of hexagonal boron-nitride. Coulomb interactions account for a strong overbending of optical phonons. Applying and extending Born's long-wave theory to the case of multilayer crystals, we calculate the piezoelectric stress constant equation image as a function of the number of layers equation image. In agreement with group theory, we find that equation image for equation image even; for an uneven number equation image of layers we obtain equation image, i.e. the piezoelectric constant decreases as equation image. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
|
Place of Publication |
Berlin |
Editor |
|
Language |
|
Wos |
000297517100069 |
Publication Date |
2011-10-18 |
Series Editor |
|
Series Title |
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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 |
13 |
Open Access |
|
Notes |
; Discussions with G. Heger, B. Partoens and F. M. Peeters are gratefully acknowledged. This work has been supported by the Flemish Science Foundation (FWO-Vl) and the Bijzonder Onderzoeksfonds, Universiteit Antwerpen (BOF-UA). ; |
Approved |
Most recent IF: 1.674; 2011 IF: 1.316 |
Call Number |
UA @ lucian @ c:irua:94034 |
Serial |
3618 |
Permanent link to this record |
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Author |
Lin, H.; Ohta, T.; Paul, A.; Hutchison, J.A.; Kirilenko, D.; Lebedev, O.; Van Tendeloo, G.; Hofkens, J.; Uji-i, H. |
Title |
Light-assisted nucleation of silver nanowires during polyol synthesis |
Type |
A1 Journal article |
Year |
2011 |
Publication |
Journal of photochemistry and photobiology: A: chemistry |
Abbreviated Journal |
J Photoch Photobio A |
Volume |
221 |
Issue |
2/3 |
Pages |
220-223 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
This report describes the effect of light irradiation on the synthesis of silver nanowires by the well-known polyol method. High quality nanowires are produced in high yields when the reaction suspension is irradiated with 400500 nm light during the nucleation stage. These studies suggest that light accelerates the formation of the nanoparticle seeds most appropriate for nanowire growth. |
Address |
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Corporate Author |
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Thesis |
|
Publisher |
|
Place of Publication |
Lausanne |
Editor |
|
Language |
|
Wos |
000293813800018 |
Publication Date |
2011-04-19 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1010-6030; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.625 |
Times cited |
24 |
Open Access |
|
Notes |
Fwo; Iap |
Approved |
Most recent IF: 2.625; 2011 IF: 2.421 |
Call Number |
UA @ lucian @ c:irua:91262 |
Serial |
1818 |
Permanent link to this record |
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|
Author |
Vansweevelt, R.; Mortet, V.; D' Haen, J.; Ruttens, bart; van Haesendonck, C.; Partoens, B.; Peeters, F.M.; Wagner, P. |
Title |
Study on the giant positive magnetoresistance and Hall effect in ultrathin graphite flakes |
Type |
A1 Journal article |
Year |
2011 |
Publication |
Physica status solidi : A : applications and materials science |
Abbreviated Journal |
Phys Status Solidi A |
Volume |
208 |
Issue |
6 |
Pages |
1252-1258 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
In this paper, we report on the electronic transport properties of mesoscopic, ultrathin graphite flakes with a thickness corresponding to a stack of 150 graphene layers. The graphite flakes show an unexpectedly strong positive magnetoresistance (PMR) already at room temperature, which scales in good approximation with the square of the magnetic field. Furthermore, we show that the resistivity is unaffected by magnetic fields oriented in plane with the graphene layers. Hall effect measurements indicate that the charge carriers are p-type and their concentration increases with increasing temperature while the mobility is decreasing. The Hall voltage is non-linear in higher magnetic fields. Possible origins of the observed effects are discussed. Ball and stick model of the two topmost carbon layers of the hexagonal graphite structure. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
|
Editor |
|
Language |
|
Wos |
000292945800008 |
Publication Date |
2011-02-24 |
Series Editor |
|
Series Title |
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Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1862-6300; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
1.775 |
Times cited |
8 |
Open Access |
|
Notes |
; The authors gratefully acknowledge the support by FWO – Research Foundation Flanders (project G.0159.07 “Structural and electronic properties of biologically modified, graphene-based layers”), by the Federal Belgian Interuniversity Attraction Poles Programme BELSPO (project TAP VI P6/42 “Quantum effects in clusters and nanowires”) and by the Methusalem network “NANO – Antwerp-Hasselt,” funded by the Flemish Community. Technical assistance by Stoffel D. Janssens (magnet calibration and software development), Dr. Hong Yin (AFM-based thickness studies), Dr. Ronald Thoelen (data analysis), and Prof. Hans-Gerd Boyen (XPS spectroscopy) is greatly appreciated. ; |
Approved |
Most recent IF: 1.775; 2011 IF: 1.463 |
Call Number |
UA @ lucian @ c:irua:91941 |
Serial |
3343 |
Permanent link to this record |
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Author |
Pei, Z.-G.; Shan, X.-Q.; Zhang, S.-Z.; Kong, J.-J.; Wen, B.; Zhang, J.; Zheng, L.-R.; Xie, Y.-N.; Janssens, K. |
Title |
Insight to ternary complexes of co-adsorption of norfloxacin and Cu(II) onto montmorillonite at different pH using EXAFS |
Type |
A1 Journal article |
Year |
2011 |
Publication |
Journal of hazardous materials |
Abbreviated Journal |
J Hazard Mater |
Volume |
186 |
Issue |
1 |
Pages |
842-848 |
Keywords |
A1 Journal article; Engineering sciences. Technology; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
Abstract |
Co-adsorption of norfloxacin (Nor) and Cu(II) on montmorillonite at pH 4.5, 7.0 and 9.0 was studied by integrated batch adsorption experiments and extended X-ray absorption fine structure (EXAFS) spectroscopy. Under such pH conditions the dominant species of Nor are cation (Nor+), zwitterion (Nor±), and anion (Nor−), respectively. Results indicated that Nor sorption decreased with an increase of solution pH. The presence of Cu(II) slightly suppressed the Nor+ sorption at pH 4.5, while increased Nor± and Nor−sorption on montmorillonite at pH 7.0 and 9.0, respectively. In contrast, Nor increased Cu(II) adsorption at pH 4.5, but had little effect on the adsorption of Cu(II) on montmorillonite at pH 7.0 and 9.0. Spectroscopic results showed that, at pH 4.5, Nor+ was sorbed on montmorillonite by the formation of outer-sphere montmorilloniteNorCu(II) ternary surface complex. At pH 7.0, montmorilloniteNorCu(II) and montmorilloniteCu(II)Nor ternary surface complexes co-exist. At pH 9.0, montmorilloniteCu(II)Nor ternary surface complex was likely formed, which was different to Cu(II)(Nor)2 precipitate of the solution. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
|
Wos |
000288102400107 |
Publication Date |
2010-11-26 |
Series Editor |
|
Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0304-3894 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
6.065 |
Times cited |
25 |
Open Access |
|
Notes |
; This work was funded by the National Natural Science Foundation of China (grant numbers: 41071308, 20707037, 20737003 and 20877087) and the Youth Fund of State Key Laboratory of Environmental Chemistry and Ecotoxicology QN2009-07. ; |
Approved |
Most recent IF: 6.065; 2011 IF: 4.173 |
Call Number |
UA @ admin @ c:irua:88786 |
Serial |
5664 |
Permanent link to this record |
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Author |
Sullivan, E.; Hadermann, J.; Greaves, C. |
Title |
Crystallographic and magnetic characterisation of the brownmillerite Sr2Co2O5 |
Type |
A1 Journal article |
Year |
2011 |
Publication |
Journal of solid state chemistry |
Abbreviated Journal |
J Solid State Chem |
Volume |
184 |
Issue |
3 |
Pages |
649-654 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
Sr2Co2O5 with the perovskite-related brownmillerite structure has been synthesised via quenching, with the orthorhombic unit cell parameters a=5.4639(3) Å, b=15.6486(8) Å and c=5.5667(3) Å based on refinement of neutron powder diffraction data collected at 4 K. Electron microscopy revealed LRLR-intralayer ordering of chain orientations, which require a doubling of the unit cell along the c-parameter, consistent with the assignment of the space group Pcmb. However, on the length scale pertinent to NPD, no long-range order is observed and the disordered space group Imma appears more appropriate. The magnetic structure corresponds to G-type order with a moment of 3.00(4) μB directed along [1 0 0]. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
London |
Editor |
|
Language |
|
Wos |
000288587800026 |
Publication Date |
2011-01-27 |
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 |
0022-4596; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.299 |
Times cited |
19 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 2.299; 2011 IF: 2.159 |
Call Number |
UA @ lucian @ c:irua:89650 |
Serial |
584 |
Permanent link to this record |
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|
Author |
Lebedev, O.I.; Caignaert, V.; Raveau, B.; Pop, N.; Gozzo, F.; Van Tendeloo, G.; Pralong, V. |
Title |
HRTEM and neutron diffraction study of LixMo5O17 : from the ribbon (x=5) structure to the rock salt (x=12) structure |
Type |
A1 Journal article |
Year |
2011 |
Publication |
Journal of solid state chemistry |
Abbreviated Journal |
J Solid State Chem |
Volume |
184 |
Issue |
4 |
Pages |
790-796 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
Structure determination of the fully intercalated phase Li12Mo5O17 and of the deintercalated oxide Li5Mo5O17 has been carried out by electron microscopy and neutron powder diffraction. The reversible topotactic transformation between the ordered rock salt structure of the former and the ribbon structure of the latter (closely related to that of Li4Mo5O17) is explained on the following basis: both structures can be described as strips built up as an assembly of infinite ribbons of MoO6 octahedra that are five octahedra thick, and that differ by slight displacements of the octahedral ribbons. We show that the electrochemical behavior of the LixMo5O17 system is based on two sorts of Li+ sites; those that are located within the strips between the ribbons, and those that are located at the border of the strips. The high rate of Li intercalation in this oxide and its reversibility are discussed in terms of its peculiar structure. |
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 |
000289597100010 |
Publication Date |
2011-02-12 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
|
ISSN |
0022-4596; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.299 |
Times cited |
1 |
Open Access |
|
Notes |
Esteem 026019 |
Approved |
Most recent IF: 2.299; 2011 IF: 2.159 |
Call Number |
UA @ lucian @ c:irua:88646 |
Serial |
1515 |
Permanent link to this record |
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Author |
Novitskaya, M.; Makhnach, L.; Ivashkevich, L.; Pankov, V.; Klein, H.; Regeau, A.; David, J.; Gemmi, M.; Hadermann, J.; Strobel, P. |
Title |
Synthesis, crystal structure and physico-chemical properties of the new quaternary oxide Sr5BiNi2O9.6 |
Type |
A1 Journal article |
Year |
2011 |
Publication |
Journal of solid state chemistry |
Abbreviated Journal |
J Solid State Chem |
Volume |
184 |
Issue |
12 |
Pages |
3262-3268 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
A new black quaternary oxide Sr5BiNi2O9.6 was synthesized by solid state reaction at 1200 °C. Its structure was solved by electron crystallography and X-ray powder refinement, yielding a tetragonal structure with space group I4/mmm, a=5.3637 (2) Å, c=17.5541(5) Å, Z=4. The structure can be described as a stacking of (Bi,Sr)O rocksalt slabs and SrNiO3−δ perovskite slabs. The initial nickel valence is close to +3.1. Thermogravimetry and high-temperature oxygen coulometry showed that this compound has variable oxygen content as a function of temperature and oxygen pressure, and ultimately decomposes when heated in low oxygen pressure above 800 °C. It is a metallic conductor with n-type conduction. Its thermoelectric power was determined and found to be −20 and −38 μV/K at 300 and 650 °C, respectively. Magnetic measurements confirm the nickel valence close to +3 and show evidence of magnetic ordering at 20 K. |
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 |
000297662500021 |
Publication Date |
2011-10-20 |
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 |
0022-4596; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.299 |
Times cited |
4 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 2.299; 2011 IF: 2.159 |
Call Number |
UA @ lucian @ c:irua:94016 |
Serial |
3451 |
Permanent link to this record |
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|
Author |
Korneychik, O.E.; Batuk, M.; Abakumov, A.M.; Hadermann, J.; Rozova, M.G.; Sheptyakov, D.V.; Pokholok, K.V.; Filimonov, D.S.; Antipov, E.V. |
Title |
Pb2.85Ba2.15Fe4SnO13 : a new member of the AnBnO3n-2 anion-deficient perovskite-based homologous series |
Type |
A1 Journal article |
Year |
2011 |
Publication |
Journal of solid state chemistry |
Abbreviated Journal |
J Solid State Chem |
Volume |
184 |
Issue |
12 |
Pages |
3150-3157 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
Pb2.85Ba2.15Fe4SnO13, a new n=5 member of the anion-deficient perovskite based AnBnO3n−2 (A=Pb, Ba, B=Fe, Sn) homologous series, was synthesized by the solid state method. The crystal structure of Pb2.85Ba2.15Fe4SnO13 was investigated using a combination of neutron powder diffraction, electron diffraction, high angle annular dark field scanning transmission electron microscopy and Mössbauer spectroscopy. It crystallizes in the Ammm space group with unit cell parameters a=5.7990(1) Å, b=4.04293(7) Å and c=26.9561(5) Å. The Pb2.85Ba2.15Fe4SnO13 structure consists of quasi two-dimensional perovskite blocks separated by 1/2[110](1̄01)p crystallographic shear (CS) planes. The corner-sharing FeO6 octahedra at the CS planes are transformed into edge-sharing FeO5 distorted tetragonal pyramids. The octahedral positions in the perovskite blocks between the CS planes are jointly taken up by Fe and Sn, with a preference of Sn towards the position at the center of the perovskite block. The chains of FeO5 pyramids and (Fe,Sn)O6 octahedra of the perovskite blocks delimit six-sided tunnels at the CS planes occupied by double chains of Pb atoms. The compound is antiferromagnetically ordered below TN=368±15 K. |
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 |
000297662500003 |
Publication Date |
2011-09-30 |
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 |
0022-4596; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.299 |
Times cited |
7 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 2.299; 2011 IF: 2.159 |
Call Number |
UA @ lucian @ c:irua:94013 |
Serial |
3550 |
Permanent link to this record |
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|
Author |
Dixon, E.; Hadermann, J.; Hayward, M.A. |
Title |
The synthesis and complex anion-vacancy ordered structure of La0.33Sr0.67MnO2.42 |
Type |
A1 Journal article |
Year |
2011 |
Publication |
Journal of solid state chemistry |
Abbreviated Journal |
J Solid State Chem |
Volume |
184 |
Issue |
7 |
Pages |
1791-1799 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
The low-temperature topotactic reduction of La0.33Sr0.67MnO3 with NaH results in the formation of La0.33Sr0.67MnO2.42. A combination of neutron powder and electron diffraction data show that La0.33Sr0.67MnO2.42 adopts a novel anion-vacancy ordered structure with a 6-layer OOTOOT' stacking sequence of the octahedral and tetrahedral layers (Pcmb, a=5.5804(1) Å, b=23.4104(7) Å, c=11.2441(3) Å). A significant concentration of anion vacancies at the anion site, which links neighbouring octahedral layers means that only 25% of the octahedral manganese coordination sites actually have 6-fold MnO6 coordination, the remainder being MnO5 square-based pyramidal sites. The chains of cooperatively twisted apex-linked MnO4 tetrahedra adopt an ordered -LRLR- arrangement within each tetrahedral layer. This is the first published example of a fully refined structure of this type which exhibits such intralayer ordering of the twisted tetrahedral chains. The rationale behind the contrasting structures of La0.33Sr0.67MnO2.42 and other previously reported reduced La1−xSrxMnO3−y phases is 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 |
London |
Editor |
|
Language |
|
Wos |
000292718500032 |
Publication Date |
2011-05-26 |
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 |
0022-4596; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.299 |
Times cited |
8 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 2.299; 2011 IF: 2.159 |
Call Number |
UA @ lucian @ c:irua:90885 |
Serial |
3600 |
Permanent link to this record |
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Author |
Dixit, H.; Saniz, R.; Lamoen, D.; Partoens, B. |
Title |
Accurate pseudopotential description of the GW bandstructure of ZnO |
Type |
A1 Journal article |
Year |
2011 |
Publication |
Computer physics communications |
Abbreviated Journal |
Comput Phys Commun |
Volume |
182 |
Issue |
9 |
Pages |
2029-2031 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT) |
Abstract |
We present the GW band structure of ZnO in its wurtzite (WZ), zincblende (ZB) and rocksalt (RS) phases at the Γ point, calculated within the GW approximation. We have used a Zn20+ pseudopotential which is essential for the adequate treatment of the exchange interaction in the self-energy. The accuracy of the pseudopotential used is also discussed. The effect of the pd hybridization on the GW corrections to the band gap is correlated by comparing the ZB and RS phase. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
|
Place of Publication |
Amsterdam |
Editor |
|
Language |
|
Wos |
000292675100062 |
Publication Date |
2011-02-17 |
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 |
0010-4655; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.936 |
Times cited |
18 |
Open Access |
|
Notes |
; ; |
Approved |
Most recent IF: 3.936; 2011 IF: 3.268 |
Call Number |
UA @ lucian @ c:irua:90761 |
Serial |
51 |
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 |
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 |
0010-4655; |
ISBN |
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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 |
Smeulders, G.; van Oers, C.; Van Havenbergh, K.; Houthoofd, K.; Mertens, M.; Martens, J.A.; Bals, S.; Maes, B.U.W.; Meynen, V.; Cool, P. |
Title |
Smart heating profiles for the synthesis of benzene bridged periodic mesoporous organosilicas |
Type |
A1 Journal article |
Year |
2011 |
Publication |
Chemical engineering journal |
Abbreviated Journal |
Chem Eng J |
Volume |
175 |
Issue |
|
Pages |
585-591 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Laboratory of adsorption and catalysis (LADCA); Organic synthesis (ORSY) |
Abstract |
In this study the effects of the heating rate and heating time on the formation of crystal-like benzene bridged periodic mesoporous organosilicas (PMOs) are investigated. The time needed to heat up an autoclave during the hydrothermal treatment has shown to be crucial in the synthesis of PMOs, while the total duration of heating gave rise to only minor differences. By choosing a smart heating profile, superior PMO materials can be obtained in a short time. Different heating profiles in a range from one minute to one hour are adopted by microwave equipment and compared with conventional heating methods. The heating rate has a large influence on the porosity characteristics and the uniformity of the obtained particles. Moreover, two new alternative synthetic strategies to adopt the smart heating profile are presented, in order to give some possible solutions for the expensive microwave equipment. |
Address |
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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 |
000297875900069 |
Publication Date |
2011-10-07 |
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 |
|
ISSN |
1385-8947; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
6.216 |
Times cited |
7 |
Open Access |
|
Notes |
Fwo; Goa-Bof |
Approved |
Most recent IF: 6.216; 2011 IF: 3.461 |
Call Number |
UA @ lucian @ c:irua:93630 |
Serial |
3044 |
Permanent link to this record |
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Author |
Verbruggen, S.W.; Ribbens, S.; Tytgat, T.; Hauchecorne, B.; Smits, M.; Meynen, V.; Cool, P.; Martens, J.A.; Lenaerts, S. |
Title |
The benefit of glass bead supports for efficient gas phase photocatalysis : case study of a commercial and a synthesised photocatalyst |
Type |
A1 Journal article |
Year |
2011 |
Publication |
Chemical engineering journal |
Abbreviated Journal |
Chem Eng J |
Volume |
174 |
Issue |
1 |
Pages |
318-325 |
Keywords |
A1 Journal article; Engineering sciences. Technology; Laboratory of adsorption and catalysis (LADCA); Sustainable Energy, Air and Water Technology (DuEL) |
Abstract |
In the field of photocatalytic air purification, the immobilisation of catalyst particles on support surfaces without loss of photon efficiency is an important challenge. Therefore, an immobilisation method involving a one-step suspension coating of pre-synthesised photocatalysts on glass beads was applied. The various benefits are exemplified in the gas phase photodegradation of ethylene. Coating of glass beads is easy, fast, cheap and offers a more efficient alternative to bulk catalyst pellets. Furthermore, this coating procedure allows to use porous, pre-synthesised catalysts to their full potential, as the surface area and morphology of the initial powder is barely altered after coating, in strong contrast to pelletising. With this technique it became possible to study the gas phase photocatalytic activity of commercial titanium dioxide, trititanate nanotubes and mixed phase anatase/trititanate nanotubes in a packed bed reactor towards the degradation of ethylene without changing the catalyst properties. Coating of glass beads with the photocatalyst revealed the superior activity of the as-prepared nanotubes, compared to TiO2 Aerolyst® 7710 in gaseous phase. |
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 |
000296950300041 |
Publication Date |
2011-09-17 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1385-8947; 1873-3212 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
6.216 |
Times cited |
39 |
Open Access |
|
Notes |
; The author wishes to acknowledge the Research Foundation of Flanders (FWO) for the financial support. Evonik is greatly thanked for supplying the TiO<INF>2</ INF> Aerolyst (R) 7710 pellets. ; |
Approved |
Most recent IF: 6.216; 2011 IF: 3.461 |
Call Number |
UA @ admin @ c:irua:93364 |
Serial |
5929 |
Permanent link to this record |
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Author |
Schryvers, D.; Tirry, W.; Cao, S. |
Title |
Advanced TEM and SEM methods applied to 3D nano- and microstructural investigations of Ni4Ti3 precipitates in Ni-Ti (SMA) |
Type |
A1 Journal article |
Year |
2011 |
Publication |
Diffusion and defect data : solid state data : part B : solid state phenomena |
Abbreviated Journal |
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Volume |
172/174 |
Issue |
|
Pages |
229-235 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
Two different kinds of experimental approaches yielding three-dimensional structural information on metastable semi-coherent precipitates are demonstrated. By combining high-resolution images from two independent viewing directions a full description of the strain field surrounding a nano-sized Ni4Ti3 precipitate in Ni-Ti can be obtained. The principal axes and strains correlate well with the transformation strain of the observed R-phase transformation close to the precipitate. Using a slice-and-view procedure in a FIB/SEM dual-beam instrument, a three-dimensional voxel dataset is produced from which morphological and distributional information on the same precipitates can be obtained yielding new insight into the particular transformation paths of these alloys, relevant for their functional behaviour. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Vaduz |
Editor |
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Language |
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Wos |
000303359700036 |
Publication Date |
2011-07-04 |
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 |
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Edition |
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ISSN |
1662-9779; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
|
Times cited |
|
Open Access |
|
Notes |
|
Approved |
Most recent IF: NA |
Call Number |
UA @ lucian @ c:irua:90153 |
Serial |
73 |
Permanent link to this record |
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Author |
Cao, S.; Nishida, M.; Schryvers, D. |
Title |
FIB/SEM applied to quantitative 3D analysis of precipitates in Ni-Ti |
Type |
A1 Journal article |
Year |
2011 |
Publication |
Diffusion and defect data : solid state data : part B : solid state phenomena |
Abbreviated Journal |
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Volume |
172/174 |
Issue |
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Pages |
1284-1289 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
Ni4Ti3 precipitates with a heterogeneous distribution growing in a polycrystalline Ni50.8Ti49.2 alloy have been investigated in a Dual-Beam FIB/SEM system. The volume ratio, mean volume, central plane diameter, thickness, aspect ratio and sphericity of the precipitates in the grain interior as well as near to the grain boundary were measured or calculated. The morphology of the precipitates was classified according to the Zingg scheme. The multistage martensitic transformation occurring in these kinds of samples is interpreted in view of the data of this heterogeneous microstructure of matrix and precipitates. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Vaduz |
Editor |
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Language |
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Wos |
000303359700199 |
Publication Date |
2011-07-04 |
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 |
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Edition |
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ISSN |
1662-9779; |
ISBN |
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Additional Links |
UA library record; WoS full record |
Impact Factor |
|
Times cited |
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Open Access |
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Notes |
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Approved |
Most recent IF: NA |
Call Number |
UA @ lucian @ c:irua:90152 |
Serial |
1188 |
Permanent link to this record |
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Author |
Delville, R.; Shi, H.; James, R.D.; Schryvers, D. |
Title |
Special microstructures and twin features in Ti50Ni50-x(Pd,Au)x at small hysteresis |
Type |
A1 Journal article |
Year |
2011 |
Publication |
Diffusion and defect data : solid state data : part B : solid state phenomena |
Abbreviated Journal |
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Volume |
172/174 |
Issue |
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Pages |
105-110 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
The breaking of symmetry due to atomic displacements in the austenite-martensite phase transformation generally leads to their crystallographic incompatibility. Energy minimizing accommodation mechanisms such as martensite twinning have been recently shown to be a source of hysteresis and irreversible plastic deformation. Compatibility between the two phases can however be achieved by carefully tuning lattice parameters through composition change. A dramatic drop in hysteresis and novel microstructures such as a lowering of the amount of twin lamella are then observed. Related theoretical and simulation works also support the existence of such microstructures including peculiar self-accommodating configurations at near-compatibility. We present the transmission electron microscopy (TEM) study of these novel microstructures for the alloy systems Ti50Ni50-xPdx and Ti50Ni50-xAux where the composition was systemically tuned to approach perfect compatibility. High resolution imaging of the interface between austenite and martensite supplies evidences of compatibility at the atomic 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 |
Vaduz |
Editor |
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Language |
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Wos |
000303359700016 |
Publication Date |
2011-07-04 |
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 |
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Edition |
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ISSN |
1662-9779; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
|
Times cited |
3 |
Open Access |
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Notes |
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Approved |
Most recent IF: NA |
Call Number |
UA @ lucian @ c:irua:90155 |
Serial |
3069 |
Permanent link to this record |
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Author |
Delville, R.; Malard, B.; Pilch, J.; Sittner, P.; Schryvers, D. |
Title |
Transmission electron microscopy study of microstructural evolution in nanograined Ni-Ti microwires heat treated by electric pulse |
Type |
A1 Journal article |
Year |
2011 |
Publication |
Diffusion and defect data : solid state data : part B : solid state phenomena |
Abbreviated Journal |
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Volume |
172/174 |
Issue |
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Pages |
682-687 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
Transmission electron microscopy and mechanical testing were employed to investigate the evolution of microstructure and functional superelastic properties of 0.1mm diameter as-drawn Ni-Ti wires subjected to a non-conventional heat treatment by controlled electric pulse current. This method enables a finer control of the recovery and recrystallisation processes taking place during the heat treatment and accordingly a better control on the final microstructure. The best functional properties were obtained for heat-treated Ni-Ti wires having a nanograined microstructure (20-50 nm) partially recovered through polygonization and partially recrystallized. Such microstructure is highly resistant against dislocation slip upon cycling, while microstructures annealed for longer time and showing mostly recrystallized grains were prone to dislocation slip, particularly as the grain size exceeds 100 nm. The density of dislocation defects increased significantly with increasing grain size of the microstructure. The activity of three <100>/{011} slip systems was identified in the largest grains of 500-1200 nm. An additional mode of plastic deformation, {114} compound austenite twinning, was observed in the largest grains of fully recrystallized microstructures. It is proposed that dislocation slip (and possibly deformation twinning) occurring in superelastic cycling is coupled with the stress-induced martensitic transformation. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Vaduz |
Editor |
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Language |
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Wos |
000303359700105 |
Publication Date |
2011-07-04 |
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 |
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Edition |
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ISSN |
1662-9779; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
|
Times cited |
3 |
Open Access |
|
Notes |
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Approved |
Most recent IF: NA |
Call Number |
UA @ lucian @ c:irua:90154 |
Serial |
3717 |
Permanent link to this record |