| Records |
| 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 |
|
Edition |
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| ISSN |
0048-9697; 1879-1026 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
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Times cited |
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Open Access |
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Notes  |
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Approved |
no |
| Call Number |
UA @ admin @ c:irua:91949 |
Serial |
8546 |
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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. |
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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 |
|
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 |
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Times cited |
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Open Access |
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| Notes |
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Approved |
no |
| Call Number |
UA @ admin @ c:irua:98688 |
Serial |
8584 |
| Permanent link to this record |
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| Author |
Darchuk, L.A.; Zaverbna, L.V.; Worobiec, A.; Van Grieken, R. |
| Title |
Structural features of human tooth tissues affected by high dose of external ionizing radiation after nuclear catastrophe of Chernobyl plant |
Type |
A1 Journal article |
| Year |
2011 |
Publication |
Microchemical journal |
Abbreviated Journal |
|
| Volume |
97 |
Issue |
2 |
Pages |
282-285 |
| Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Laboratory Experimental Medicine and Pediatrics (LEMP) |
| Abstract |
The application of micro-Raman spectroscopy is discussed for the analysis of structural features of human tooth tissues affected by high doses of external ionizing radiation (0.51.7 Gy) after the nuclear plant catastrophe in Chernobyl in 1986. The results have shown significant changes in the mineral matrix of dental enamel that lead to the decrease of tooth enamel hardness. Destruction of the collagen chain of the organic matrix has been observed for dentin and cementum. |
| 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 |
000286558200029 |
Publication Date |
2010-10-07 |
| 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 |
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| ISSN |
0026-265x; 0026-265x |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
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Times cited |
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Open Access |
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| Notes |
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Approved |
no |
| Call Number |
UA @ admin @ c:irua:86818 |
Serial |
8585 |
| Permanent link to this record |
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| Author |
Caratelli, D.; Gielis, J.; Natalini, P.; Ricci, P.E.; Tavkhelidze, I. |
| Title |
The Robin problem for the Helmholtz equation in a starlike planar domain |
Type |
A1 Journal article |
| Year |
2011 |
Publication |
Georgian mathematical journal |
Abbreviated Journal |
|
| Volume |
18 |
Issue |
3 |
Pages |
465-479 |
| Keywords |
A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL) |
| Abstract |
The interior and exterior Robin problems for the Helmholtz equation in starlike planar domains are addressed by using a suitable Fourier-like technique. Attention is in particular focused on normal-polar domains whose boundaries are defined by the so-called superformula introduced by J. Gielis. A dedicated numerical procedure based on the computer algebra system Mathematica© is developed in order to validate the proposed approach. In this way, highly accurate approximations of the solution, featuring properties similar to the classical ones, are obtained. The computed results are found to be in good agreement with the theoretical findings on Fourier series expansion presented by L. Carleson. |
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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 |
000296166100004 |
Publication Date |
2021-02-28 |
| 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 |
1072-947x |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
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Times cited |
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Open Access |
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| Notes |
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Approved |
no |
| Call Number |
UA @ admin @ c:irua:91086 |
Serial |
8658 |
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| Author |
Buytaert, V.; Muys, B.; Devriendt, N.; Pelkmans, L.; Kretzschmar, J.G.; Samson, R. |
| Title |
Towards integrated sustainability assessment for energetic use of biomass : a state of the art evaluation of assessment tools |
Type |
A1 Journal article |
| Year |
2011 |
Publication |
Renewable and sustainable energy reviews |
Abbreviated Journal |
|
| Volume |
15 |
Issue |
8 |
Pages |
3918-3933 |
| Keywords |
A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
| Abstract |
Biomass is expected to play an increasingly significant role in the greening of energy supply. Nevertheless, concerns are rising about the sustainability of large-scale energy crop production. Impacts must be assessed carefully before deciding whether and how this industry should be developed, and what technologies, policies and investment strategies should be pursued. There is need for a comprehensive and reliable sustainability assessment tool to evaluate the environmental, social and economic performance of biomass energy production. This paper paves the way for such a tool by analysing and comparing the performance and applicability of a selection of existing tools that are potentially useful for sustainability assessment of bioenergy systems. The selected tools are: Criteria And Indicators (C&I), Life Cycle Assessment (LCA), Environmental Impact Assessment (EIA), Cost Benefit Analysis (CBA), Exergy Analysis (EA) and System Perturbation Analysis (SPA). To evaluate the tools, a framework was constructed that consists of four evaluation levels: sustainability issues, tool attributes, model structure, area of application. The tools were then evaluated using literature data and with the help of a Delphi panel of experts. Finally, a statistical analysis was performed on the resulting data matrix to detect significant differences between tools. It becomes clear that none of the selected tools is able to perform a comprehensive sustainability assessment of bioenergy systems. Every tool has its particular advantages and disadvantages, which means that trade-offs are inevitable and a balance must be found between scientific accuracy and pragmatic decision making. A good definition of the assessment objective is therefore crucial. It seems an interesting option to create a toolbox that combines procedural parts of C&I and EIA, supplemented with calculation algorithms of LCA and CBA for respectively environmental and economic sustainability indicators. Nevertheless, this would require a more comprehensive interdisciplinary approach to align the different tool characteristics and focuses. |
| 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 |
000298764100043 |
Publication Date |
2011-08-06 |
| Series Editor |
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Series Title |
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Abbreviated Series Title |
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| Series Volume |
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Series Issue |
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Edition |
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| ISSN |
1364-0321; 1879-0690 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
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Times cited |
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Open Access |
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| Notes |
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Approved |
no |
| Call Number |
UA @ admin @ c:irua:96444 |
Serial |
8682 |
| Permanent link to this record |
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| Author |
Huyskens, C.; Brauns, E.; van Hoof, E.; Diels, L.; de Wever, H. |
| Title |
Validation of a supervisory control system for energy savings in membrane bioreactors |
Type |
A1 Journal article |
| Year |
2011 |
Publication |
Water research |
Abbreviated Journal |
|
| Volume |
45 |
Issue |
3 |
Pages |
1443-1453 |
| Keywords |
A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
| Abstract |
The application of fixed operational protocols and settings for membrane bioreactors (MBR) often leads to suboptimal filtration conditions due to the dynamic nature of mixed liquor characteristics. With regard to process optimization and energy savings, the potential benefits of a dynamic control system, enabling to adapt fouling control actions (ACS outputs) in an automated way to the actual mixed liquor fouling propensity, are thus obvious. In this paper, the pilot-scale validation of such an advanced control system (ACS) is elaborated. A specific on-line fouling measurement method, the MBR-VFM (VITO Fouling Measurement), was used for the evaluation of the mixed liquors reversible fouling propensity, which was used as a primary ACS input parameter. A first series of tests with a gradual increase in complexity of the selected input and output parameters indicated the functionality of the ACS and demonstrated a substantial reduction of aeration, however sometimes at the expense of a higher fouling rate. The ACS was further fine-tuned and subsequently tested for a longer period under more dynamic operating conditions. A significant correlation was found between the reversible fouling potential measured by the MBR-VFM and the on-line permeability, indicating that the MBR-VFM is a suitable ACS input. Furthermore, an average 22% reduction in aeration flow to the membranes could be achieved without any obvious negative effect on filtration performance. This indicates that this approach is promising to optimize energy consumption in MBRs. |
| 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 |
000287054500047 |
Publication Date |
2010-11-11 |
| Series Editor |
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Series Title |
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Abbreviated Series Title |
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| Series Volume |
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Series Issue |
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Edition |
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| ISSN |
0043-1354; 1879-2448 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
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Times cited |
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Open Access |
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| Notes |
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Approved |
no |
| Call Number |
UA @ admin @ c:irua:88400 |
Serial |
8728 |
| Permanent link to this record |
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| |
| Author |
Jain, R.; Vikas; Rather, J.A. |
| Title |
Voltammetric behaviour of drotaverine hydrochloride in surfactant media and its enhancement determination in Tween-20 |
Type |
A1 Journal article |
| Year |
2011 |
Publication |
Colloids and surfaces: B : biointerfaces |
Abbreviated Journal |
|
| Volume |
82 |
Issue |
2 |
Pages |
333-339 |
| Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
| Abstract |
Simple, sensitive and rapid adsorptive voltammetric behaviour of drotaverine hydrochloride onto the HMDE has been explored and validated in surfactant media by using cyclic, differential pulse and square-wave voltammetry. Addition of Tween-20 to the drotaverine hydrochloride containing electrolyte enhances the reduction current signal. The voltammograms of the drug with Tween-20 in phosphate buffers of pH 2.511.0 exhibit a single well defined reduction peak which may be due to the reduction of Cdouble bond; length as m-dashC group. The cyclic voltammetric studies indicated the reduction of drotaverine hydrochloride at the electrode surface through two electron irreversible step and diffusion-controlled. The peak current showed a linear dependence with the drug concentration over the range 0.87.2 μg mL−1. The calculated LOD and LOQ are 1.8 and 6.0 ng mL−1 by SWCAdSV and 8.1 and 27.2 ng mL−1 by DPCAdSV, respectively. The procedure was applied to the assay of the drug in tablet form with mean percentage recoveries of 100.2% with SWCAdSV and 99.7% with DPCAdSV. The validity of the proposed methods was further assessed by applying a standard addition technique. |
| 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 |
000285858200010 |
Publication Date |
2010-09-16 |
| 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 |
0927-7765 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
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Times cited |
|
Open Access |
|
| Notes |
|
Approved |
no |
| Call Number |
UA @ admin @ c:irua:98686 |
Serial |
8742 |
| Permanent link to this record |
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| Author |
Jain, R.; Rather, J.A.; Dwivedi, A. |
| Title |
Voltammetric behaviour of nitroxazepine in solubilized system and biological fluids |
Type |
A1 Journal article |
| Year |
2011 |
Publication |
Materials science and engineering: part C: biomimetic materials |
Abbreviated Journal |
|
| Volume |
31 |
Issue |
2 |
Pages |
230-237 |
| Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
| Abstract |
This study reports the development and validation of sensitive and selective assay method for the determination of the antidepressant drug in solubilized system and biological fluids. Solubilized system of different surfactants including cationic, anionic and non-ionic influences the electrochemical response of drug. Addition of cationic surfactant cetrimide to the solution containing drug enhances the peak current signal while anionic and non-ionic showed an opposite effect. The current signal due to reduction process was function of concentration of nitroxazepine, pH, type of surfactant and preconcentration time at the electrode surface. The reduction process is irreversible and adsorption controlled at HMDE. Various chemical and instrumental parameters affecting the monitored electroanalytical response were investigated and optimized for niroxazepine hydrochloride determination. The proposed SWCAdSV and DPCAdSV methods are linear over the concentration range 2.0 × 10-7 5.0 × 10-9 mol/L and 6.1 × 10-7 1.0 × 10-8 mol/L with detection limit of 1.62 × 10-10 mo/L and 1.4 × 10-9 mo/L respectively. The method shows good sensitivity, selectivity, accuracy and precision that makes it very suitable for determination of nitroxazepine in pharmaceutical formulation and 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 |
000286707900024 |
Publication Date |
2010-09-08 |
| Series Editor |
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Series Title |
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Abbreviated Series Title |
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| Series Volume |
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Series Issue |
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Edition |
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| ISSN |
0928-4931 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
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Times cited |
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Open Access |
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| Notes |
|
Approved |
no |
| Call Number |
UA @ admin @ c:irua:98685 |
Serial |
8743 |
| Permanent link to this record |
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| Author |
Jain, R.; Rather, J.A. |
| Title |
Voltammetric determination of antibacterial drug gemifloxacin in solubilized systems at multi-walled carbon nanotubes modified glassy carbon electrode |
Type |
A1 Journal article |
| Year |
2011 |
Publication |
Colloids and surfaces: B : biointerfaces |
Abbreviated Journal |
|
| Volume |
83 |
Issue |
2 |
Pages |
340-346 |
| Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
| Abstract |
A sensitive electroanalytical method for determination of gemifloxacin in pharmaceutical formulation has been investigated on the basis of the enhanced electrochemical response at multi-walled carbon nanotubes modified glassy carbon electrode in the presence of CTAB. Solubilized system of different surfactants including SDS, Tween-20 and CTAB were taken for the study of electrochemical behaviour of gemifloxacin at modified electrode. The reduction peak current increases in the presence of CTAB while other surfactants show opposite effect. The modified electrode exhibits catalytic activity, high sensitivity, stability and is applicable over wide range of concentration for the determination of gemifloxacin. The mechanism of electrochemical reduction of gemifloxacin has been proposed on the basis of CV, SWV, DPV and coulometeric techniques. The proposed squarewave voltammetric method shows linearity over the concentration range 2.4715.5 μg/mL. The achieved limits of detection (LOD) and quantification (LOQ) are 0.90 ng/mL and 3.0 ng/mL respectively. |
| 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 |
000287268000020 |
Publication Date |
2010-12-08 |
| Series Editor |
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Series Title |
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Abbreviated Series Title |
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| Series Volume |
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Series Issue |
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Edition |
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| ISSN |
0927-7765 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
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Times cited |
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Open Access |
|
| Notes |
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Approved |
no |
| Call Number |
UA @ admin @ c:irua:98687 |
Serial |
8744 |
| Permanent link to this record |
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| Author |
Van Grieken, R.; Worobiec, A. |
| Title |
X-ray spectrometry for preventive conservation of cultural heritage |
Type |
A1 Journal article |
| Year |
2011 |
Publication |
Pramåna: a journal of physics |
Abbreviated Journal |
|
| Volume |
72 |
Issue |
2 |
Pages |
191-200 |
| Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Laboratory Experimental Medicine and Pediatrics (LEMP) |
| Abstract |
Analytical chemistry does play a key role in the chemical characterization of the environment and it appears that X-ray spectrometry, in its many forms, is one of the most relevant analytical techniques in preventive conservation, as it is in cultural heritage research in general. X-ray spectrometry has indeed been the method of choice for the characterization of the inorganic composition of atmospheric aerosols, for a long time. We have, over the last decade, intensively used various forms of X-ray spectrometry, viz., mostly energy-dispersive X-ray fluorescence, e.g. with polarized high-energy beam excitation, and automated electron probe X-ray microanalysis, together with other techniques, to identify particle types and their sources in indoor environments, including museums, while gaseous indoor pollutants were assessed using passive diffusion samplers. In each case, both bulk aerosols and individual aerosol particles were studied. For microanalysis of single particles, we have investigated a dozen techniques, but for wide, real-life applications, automated electron probe X-ray microanalysis is the most rewarding. We have first studied atmospheric aerosols in and around the Correr Museum in Venice, many other museums in Austria, Japan and England, and in the caves with prehistoric rock paintings in Altamira, Spain. Very recently, measurements were done in the Metropolitan Museum of Art in New York and theWawel Castle in Cracow, in Italian and Polish mountain churches, in a number of museums in Belgium and the Netherlands, and in cathedrals with medieval stained glass windows. In the Correr museum, it appeared that the particles most threatening for the Bellini paintings were released by the deteriorating plaster renderings, and this could be avoided by simply improving the rendering on the museum walls. In the Wawel Castle, outdoor pollution particles, like fine soot from diesel traffic, entering via leaks in the windows and doors, and also street-deicing salts and coal burning pollution particles, brought in by visitors, mostly in winter, were found to be most worrisome. Urgent questions that are not solved at this moment pertain to the deposition processes from the atmosphere to the cultural heritage items, the critical surface interactions that take place on these items, and the establishment of suitable particle concentration standards. |
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Thesis |
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Place of Publication |
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Editor |
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| Language |
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Wos |
000288861000002 |
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 |
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Edition |
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| ISSN |
0304-4289; 0973-7111 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
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Times cited |
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Open Access |
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| Notes |
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Approved |
no |
| Call Number |
UA @ admin @ c:irua:87025 |
Serial |
8785 |
| Permanent link to this record |
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| Author |
Van Aert, S. |
| Title |
Atomen in 3D : Antwerpenaren brengen atomaire structuur nanodeeltjes in beeld |
Type |
Newspaper/Magazine/blog article |
| Year |
2011 |
Publication |
Chemie magazine |
Abbreviated Journal |
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| Volume |
7 |
Issue |
3 |
Pages |
9 |
| Keywords |
Newspaper/Magazine/blog article; Electron microscopy for materials research (EMAT) |
| Abstract |
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| Address |
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Thesis |
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Place of Publication |
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Editor |
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Wos |
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Publication Date |
0000-00-00 |
| 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 |
0379-7651 |
ISBN |
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Additional Links |
UA library record |
| 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 |
| Call Number |
UA @ lucian @ c:irua:94122 |
Serial |
163 |
| Permanent link to this record |
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| Author |
Peirs, J.; Verleysen, P.; Tirry, W.; Rabet, L.; Schryvers, D.; Degrieck, J. |
| Title |
Dynamic shear localization in Ti6Al4V |
Type |
P1 Proceeding |
| Year |
2011 |
Publication |
Procedia Engineering
T2 – 11th International Conference on the Mechanical Behavior of Materials, (ICM), 2011, Como, ITALY (ICM11) |
Abbreviated Journal |
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| Volume |
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Issue |
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Pages |
1-6 |
| Keywords |
P1 Proceeding; Electron microscopy for materials research (EMAT) |
| Abstract |
The alloy Ti6Al4V is known to be prone to the formation of adiabatic shear bands when dynamically loaded in shear. This causes a catastrophic decrease of the load carrying capacity and is usually followed by fracture. Although, the main mechanism is recognized to be the competition between strain hardening and thermal softening, a detailed understanding of the role of microstructural plasticity mechanisms and macroscopic loading conditions does not exist yet. To study strain localization and shear fracture, different high strain rate shear tests have been carried out: compression of hat-shaped specimens, torsion of thin walled tubular specimens and in-plane shear tests. The value of the three techniques in studying shear localization is evaluated. Post-mortem analysis of the fracture surface and the materials' microstructure is performed with optical and electron microscopy. In all cases a ductile fracture is observed. SEM and TEM techniques are used to study the local microstructure and composition in the shear band and as such the driving mechanism for the ASB formation. (C) 2011 Published by Elsevier Ltd. Selection and/or peer-review under responsibility of ICM11 |
| Address |
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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 |
000300451302060 |
Publication Date |
2011-06-20 |
| Series Editor |
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Series Title |
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Abbreviated Series Title |
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| Series Volume |
10 |
Series Issue |
|
Edition |
|
| ISSN |
1877-7058; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
|
Times cited |
4 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: NA |
| Call Number |
UA @ lucian @ c:irua:113069 |
Serial |
767 |
| Permanent link to this record |
| |
|
| |
| 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 |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
Amsterdam |
Editor |
|
| Language |
|
Wos |
000295769700014 |
Publication Date |
2011-07-28 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| 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 |
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 |
| |
|
| |
| Author |
Batenburg, K.J.; Bals, S.; Van Aert, S.; Roelandts, T.; Sijbers, J. |
| Title |
Ultra-high resolution electron tomography for materials science : a roadmap |
Type |
A1 Journal article |
| Year |
2011 |
Publication |
Microscopy and microanalysis |
Abbreviated Journal |
Microsc Microanal |
| Volume |
17 |
Issue |
S:2 |
Pages |
934-935 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Vision lab |
| Abstract |
|
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
Cambridge, Mass. |
Editor |
|
| Language |
|
Wos |
|
Publication Date |
2011-10-07 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
1431-9276;1435-8115; |
ISBN |
|
Additional Links |
UA library record |
| Impact Factor |
1.891 |
Times cited |
|
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 1.891; 2011 IF: 3.007 |
| Call Number |
UA @ lucian @ c:irua:96554 |
Serial |
3792 |
| Permanent link to this record |
| |
|
| |
| Author |
Dzhurakhalov, A.A.; Peeters, F.M. |
| Title |
Structure and energetics of hydrogen chemisorbed on a single graphene layer to produce graphane |
Type |
A1 Journal article |
| Year |
2011 |
Publication |
Carbon |
Abbreviated Journal |
Carbon |
| Volume |
49 |
Issue |
10 |
Pages |
3258-3266 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT); Integrated Molecular Plant Physiology Research (IMPRES) |
| Abstract |
Chemisorption of hydrogen on graphene is studied using atomistic simulations with the second generation of reactive empirical bond order Brenner inter-atomic potential. The lowest energy adsorption sites and the most important metastable sites are determined. The H concentration is varied from a single H atom, to clusters of H atoms up to full coverage. We found that when two or more H atoms are present, the most stable configurations of H chemisorption on a single graphene layer are ortho hydrogen pairs adsorbed on one side or on both sides of the graphene sheet. The latter has the highest hydrogen binding energy. The next stable configuration is the orthopara pair combination, and then para hydrogen pairs. The structural changes of graphene caused by chemisorbed hydrogen are discussed and are compared with existing experimental data and other theoretical calculations. The obtained results will be useful for nanoengineering of graphene by hydrogenation and for hydrogen storage. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
Oxford |
Editor |
|
| Language |
|
Wos |
000291959300014 |
Publication Date |
2011-04-15 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0008-6223; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
6.337 |
Times cited |
46 |
Open Access |
|
| Notes |
; A.D. thanks M.W. Zhao for a useful correspondence. This work was supported by the Belgian Science Policy (IAP) and the Flemish Science Foundation (FWO-VI). ; |
Approved |
Most recent IF: 6.337; 2011 IF: 5.378 |
| Call Number |
UA @ lucian @ c:irua:90877 |
Serial |
3275 |
| Permanent link to this record |
| |
|
| |
| Author |
Elia, A.; De Wael, K.; Dowsett, M.; Adriaens, A. |
| Title |
Electrochemical deposition of a copper carboxylate layer on copper as potential corrosion inhibitor |
Type |
A1 Journal article |
| Year |
2011 |
Publication |
Journal of solid state electrochemistry |
Abbreviated Journal |
J Solid State Electr |
| Volume |
16 |
Issue |
1 |
Pages |
143-148 |
| Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
| Abstract |
Carboxylic acids and sodium carboxylates are used to protect metals against aqueous and atmospheric corrosion. In this paper, we describe the application of a layer of copper carboxylate on the surface of a copper electrode by means of cyclic voltammetry technique and tests which measure the corresponding resistance to aqueous corrosion. Unlike the soaking process, which also forms a film on the surface, the use of cyclic voltammetry allows one to follow the deposition process of the copper carboxylates onto the electrode. The modified electrodes have been characterised with infrared spectroscopy. In addition, the corrosion resistance of the film has been investigated using polarisation resistance and Tafel plot measurements. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
000298651700018 |
Publication Date |
2011-01-25 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
1432-8488 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
2.316 |
Times cited |
8 |
Open Access |
|
| Notes |
; Authors would like to acknowledge the Research Foundation-Flanders (FWO) for funding assistance (A. Elia is a FWO aspirant) and V. Vermeersch and S. Van Vlierberghe (Ghent University, Polymer Chemistry and Biomaterials Research Group) for the FTIR-ATR measurements. ; |
Approved |
Most recent IF: 2.316; 2011 IF: 2.131 |
| Call Number |
UA @ admin @ c:irua:89618 |
Serial |
5588 |
| Permanent link to this record |
| |
|
| |
| Author |
Rakhimov, K.Y.; Chaves, A.; Farias, G.A.; Peeters, F.M. |
| Title |
Wavepacket scattering of Dirac and Schrödinger particles on potential and magnetic barriers |
Type |
A1 Journal article |
| Year |
2011 |
Publication |
Journal of physics : condensed matter |
Abbreviated Journal |
J Phys-Condens Mat |
| Volume |
23 |
Issue |
27 |
Pages |
275801,1-275801,16 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
We investigate the dynamics of a charged particle moving in a graphene layer and in a two-dimensional electron gas, where it obeys the Dirac and the Schrödinger equations, respectively. The charge carriers are described as Gaussian wavepackets. The dynamics of the wavepackets is studied numerically by solving both quantum-mechanical and relativistic equations of motion. The scattering of such wavepackets by step-like magnetic and potential barriers is analysed for different values of wavepacket energy and width. We find: (1) that the average position of the wavepacket does not coincide with the classical trajectory, and (2) that, for slanted incidence, the path of the centre of mass of the wavepacket does not have to penetrate the barrier during the scattering process. Trembling motion of the charged particle in graphene is observed in the absence of an external magnetic field and can be enhanced by a substrate-induced mass term. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
London |
Editor |
|
| Language |
|
Wos |
000291993600009 |
Publication Date |
2011-06-18 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0953-8984;1361-648X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
2.649 |
Times cited |
32 |
Open Access |
|
| Notes |
; Discussions with A Matulis are gratefully acknowledged. KR is beneficiary of a mobility grant from the Belgian Federal Science Policy Office, co-funded by the European Commission and was supported in part by a grant of the Third World Academy of Sciences (ref. 09-188 RG/PHYS/AS-I). In addition, this work was financially supported by CNPq, under contract NanoBioEstruturas 555183/2005-0, PRONEX/FUNCAP, CAPES, the Bilateral programme between Flanders and Brazil, the joint project CNPq-FWO, the Belgian Science Policy (IAP) and the Flemish Science Foundation (FWO-Vl). ; |
Approved |
Most recent IF: 2.649; 2011 IF: 2.546 |
| Call Number |
UA @ lucian @ c:irua:90880 |
Serial |
3908 |
| Permanent link to this record |
| |
|
| |
| Author |
Chaves, A.; Komendová, L.; Milošević, M.V.; Andrade, J.S.; Farias, G.A.; Peeters, F.M. |
| Title |
Conditions for nonmonotonic vortex interaction in two-band superconductors |
Type |
A1 Journal article |
| Year |
2011 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
| Volume |
83 |
Issue |
21 |
Pages |
214523-214523,6 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
We describe a semianalytic approach to the two-band Ginzburg-Landau theory, which predicts the behavior of vortices in two-band superconductors. We show that the character of the short-range vortex-vortex interaction is determined by the sign of the normal domain-superconductor interface energy, in analogy with the conventional differentiation between type I and type II superconductors. However, we also show that the long-range interaction is determined by a modified Ginzburg-Landau parameter κ*, different from the standard κ of a bulk superconductor. This opens the possibility for nonmonotonic vortex-vortex interaction, which is temperature dependent, and can be further tuned by alterations of the material on the microscopic scale. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
000292252300009 |
Publication Date |
2011-06-30 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.836 |
Times cited |
46 |
Open Access |
|
| Notes |
; Discussions with A. Moreira, A. Shanenko, R. Prozorov, and A. Golubov are gratefully acknowledged. This work was supported by the Flemish Science Foundation (FWO-Vl), the Belgian Science Policy (IAP), the bilateral project FWO-CNPq, CAPES, and PRONEX/CNPq/FUNCAP. ; |
Approved |
Most recent IF: 3.836; 2011 IF: 3.691 |
| Call Number |
UA @ lucian @ c:irua:90922 |
Serial |
477 |
| Permanent link to this record |
| |
|
| |
| 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 |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
Berlin |
Editor |
|
| Language |
|
Wos |
000297517100069 |
Publication Date |
2011-10-18 |
| 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 |
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 |
| |
|
| |
| Author |
Michel, K.H.; Verberck, B. |
| Title |
Phonon dispersions and piezoelectricity in bulk and multilayers of hexagonal boron nitride |
Type |
A1 Journal article |
| Year |
2011 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
| Volume |
83 |
Issue |
11 |
Pages |
115328-115328,14 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
A unified theory of phonon dispersions and piezoelectricity in bulk and multilayers of hexagonal boron nitride (h-BN) is derived. The dynamical matrix is calculated on the basis of an empirical force constant model of intralayer valence and interlayer van der Waals interactions. Coulomb interactions are calculated by Ewalds method, adapted for the three-dimensional (3D) and the multilayer case. The deformation of the ionic charge distribution with long-wave lattice displacements is taken into account. Special attention is devoted to the nonanalytic long-range Coulomb contribution to the dynamical matrix which is different for the 3D crystal and the multilayer case. Consequently there is a splitting of the transverse optical (TO) and longitudinal optical (LO) phonon branches of E1u symmetry and a discontinuity of the A2u branch at the Γ point in 3D h-BN. No such splitting and discontinuity at Γ are present in multilayer crystals with a finite number N of layers. There a diverging bundle of N overbending optical phonon branches emerges from Γ. Borns long-wave theory is applied and extended for the study of piezoelectricity in layered crystals. While 3D h-BN and h-BN multilayers with an even number of layers (symmetry D6h) are not piezoelectric, multilayers with an uneven number of Nu layers (symmetry D3h) are piezoelectric; the piezoelectric coefficient e1,11 is inversely proportional to Nu. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
000288783700005 |
Publication Date |
2011-03-24 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.836 |
Times cited |
82 |
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-V1) and the Bijzonder Onderzoeksfonds, Universiteit Antwerpen (BOF-UA). ; |
Approved |
Most recent IF: 3.836; 2011 IF: 3.691 |
| Call Number |
UA @ lucian @ c:irua:89602 |
Serial |
2603 |
| Permanent link to this record |
| |
|
| |
| Author |
Chaves, A.; Peeters, F.M.; Farias, G.A.; Milošević, M.V. |
| Title |
Vortex-vortex interaction in bulk superconductors : Ginzburg-Landau theory |
Type |
A1 Journal article |
| Year |
2011 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
| Volume |
83 |
Issue |
5 |
Pages |
054516-054516,14 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
The vortex-vortex interaction potential in bulk superconductors is calculated within the Ginzburg-Landau (GL) theory and is obtained from a numerical solution of a set of two coupled nonlinear GL differential equations for the vector potential and the superconducting order parameter, where the merger of vortices into a giant vortex is allowed. Further, the interaction potentials between a vortex and a giant vortex and between a vortex and an antivortex are obtained for both type-I and type-II superconductors. Our numerical results agree asymptotically with the analytical expressions for large intervortex separations that are available in the literature. We propose empirical expressions valid over the full interaction range, which are fitted to our numerical data for different values of the GL parameter. |
| Address |
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| Corporate Author |
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Thesis |
|
| Publisher |
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Place of Publication |
|
Editor |
|
| Language |
|
Wos |
000287712100009 |
Publication Date |
2011-02-25 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.836 |
Times cited |
31 |
Open Access |
|
| Notes |
; Discussions with J. S. Andrade Jr. and A. A. Moreira are gratefully acknowledged. This work was financially supported by CNPq, under Contract No. NanoBioEstruturas 555183/2005-0, PRONEX/FUNCAP, CAPES, the Bilateral programme between Flanders and Brazil, the collaborative project CNPq-FWO-Vl, the Belgian Science Policy (IAP), and the Flemish Science Foundation (FWO-Vl). ; |
Approved |
Most recent IF: 3.836; 2011 IF: 3.691 |
| Call Number |
UA @ lucian @ c:irua:88805 |
Serial |
3899 |
| Permanent link to this record |
| |
|
| |
| Author |
Verberck, B.; Cambedouzou, J.; Vliegenthart, G.A.; Gompper, G.; Launois, P. |
| Title |
A Monte Carlo study of C70 molecular motion in C70@SWCNT peapods |
Type |
A1 Journal article |
| Year |
2011 |
Publication |
Carbon |
Abbreviated Journal |
Carbon |
| Volume |
49 |
Issue |
6 |
Pages |
2007-2021 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
We present Monte Carlo simulations of chains of C70 molecules encapsulated in a single-walled carbon nanotube (SWCNT). For various tube radii R (6.5 Å less-than-or-equals, slant R less-than-or-equals, slant 7.5 Å), we analyze rotational and translational motion of the C70 molecules, as a function of temperature. Apart from reproducing the experimentally well-established lying and standing molecular orientations for small and large tube radii, respectively, we observe, depending on the tube diameter, a variety of molecular motions, orientational flipping of lying molecules, and the migration of molecules resulting in a continual rearrangement of the C70 molecules in clusters of varying lengths. With increasing temperature, the evolution of the pair correlation functions reveals a transition from linear harmonic chain behavior to a hard-sphere liquid, making C70@SWCNT peapods tunable physical realizations of two well-known one-dimensional model systems. |
| Address |
|
| Corporate Author |
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Thesis |
|
| Publisher |
|
Place of Publication |
Oxford |
Editor |
|
| Language |
|
Wos |
000288689900025 |
Publication Date |
2011-01-20 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0008-6223; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
6.337 |
Times cited |
10 |
Open Access |
|
| Notes |
; Helpful discussions with K.H. Michel, P.-A. Albouy and C. Bousige are greatly acknowledged. This work was financially supported by the Research Foundation – Flanders (FWO-Vl). B.V. is a Postdoctoral Fellow of the Research Foundation Flanders (FWO-VI). ; |
Approved |
Most recent IF: 6.337; 2011 IF: 5.378 |
| Call Number |
UA @ lucian @ c:irua:89660 |
Serial |
2201 |
| Permanent link to this record |
| |
|
| |
| Author |
Sofo, J.O.; Suarez, A.M.; Usaj, G.; Cornaglia, P.S.; Hernández-Nieves, A.D.; Balseiro, C.A. |
| Title |
Electrical control of the chemical bonding of fluorine on graphene |
Type |
A1 Journal article |
| Year |
2011 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
| Volume |
83 |
Issue |
8 |
Pages |
081411 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
We study the electronic structure of diluted F atoms chemisorbed on graphene using density functional theory calculations. We show that the nature of the chemical bonding of a F atom adsorbed on top of a C atom in graphene strongly depends on carrier doping. In neutral samples the F impurities induce a sp(3)-like bonding of the C atom below, generating a local distortion of the hexagonal lattice. As the graphene is electron-doped, the C atom retracts back to the graphene plane and for high doping (10(14) cm(-2)) its electronic structure corresponds to a nearly pure sp(2) configuration. We interpret this sp(3)-sp(2) doping-induced crossover in terms of a simple tight-binding model and discuss the physical consequences of this change. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
000287484800005 |
Publication Date |
2011-02-18 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.836 |
Times cited |
65 |
Open Access |
|
| Notes |
; J.O.S. and A. S. acknowledge support from the Donors of the American Chemical Society Petroleum Research Fund and use of facilities at the Penn State Materials Simulation Center. G. U., P. S. C., A. D. H., and C. A. B. acknowledge financial support from PICTs 06-483 and 2008-2236 from ANPCyT and PIP 11220080101821 from CONICET, Argentina. A. D. H. acknowledges support from the Flemish Science Foundation (FWO). ; |
Approved |
Most recent IF: 3.836; 2011 IF: 3.691 |
| Call Number |
UA @ lucian @ c:irua:105600 |
Serial |
892 |
| Permanent link to this record |
| |
|
| |
| Author |
Glazov, M.M.; Semina, M.A.; Badalyan, S.M.; Vignale, G. |
| Title |
Spin-current generation from Coulomb-Rashba interaction in semiconductor bilayers |
Type |
A1 Journal article |
| Year |
2011 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
| Volume |
84 |
Issue |
3 |
Pages |
033305-033305,4 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
Electrons in double-layer semiconductor heterostructures experience a special type of spin-orbit interaction that arises in each layer from the perpendicular component of the Coulomb electric field created by electron-density fluctuations in the other layer. We show that this interaction, acting in combination with the usual spin-orbit interaction, can generate a spin current in one layer when a charge current is driven in the other. This effect is distinct symmetrywise from the spin-Hall drag. The spin current is not, in general, perpendicular to the drive current. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
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Editor |
|
| Language |
|
Wos |
000293129200001 |
Publication Date |
2011-07-26 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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| Series Volume |
|
Series Issue |
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Edition |
|
| ISSN |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.836 |
Times cited |
5 |
Open Access |
|
| Notes |
; M.M.G. and M. A. S. are grateful to RFBR, EU projects Spinoptronics and POLAPHEN, and the “Dynasty” Foundation-ICFPM for financial support. S. M. B. acknowledges support from EU Grant No. PIIF-GA-2009-235394, the DFG SFB 689, and the Belgium Science Policy (IAP). G. V. acknowledges support from NSF Grant No. DMR-0705460. ; |
Approved |
Most recent IF: 3.836; 2011 IF: 3.691 |
| Call Number |
UA @ lucian @ c:irua:91740 |
Serial |
3081 |
| Permanent link to this record |
| |
|
| |
| Author |
Verberck, B. |
| Title |
Orientational properties of C70 and C80 fullerenes in carbon nanotubes |
Type |
A1 Journal article |
| Year |
2011 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
| Volume |
83 |
Issue |
4 |
Pages |
045405-045405,8 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
We present energy calculations of a C80 molecule with D5d symmetry encapsulated in a carbon nanotube. The approximation of a continuous tube rather than a rolled-up graphene sheet, justified by comparison with atomistic calculations, allows an expansion of the energy field into symmetry-adapted rotator functions. For a given tube radius R, we observe a strong dependence of the interaction energy on the molecular tilt angle and on the molecules lateral position in the tube. We observe a transition from on-axis lying orientations to tilted orientations at R1≈6.95 Å and a subsequent transition to standing orientations at R2≈7.6 Å. For tube radii larger than R3≈8.0 Å, the molecule starts to occupy off-axis positions and assumes a lying orientation. Results are compared to the case of C70 molecules, with D5h symmetry. Our findings are consistent with recent high-resolution transmission electron microscopy measurements and are relevant for the design of new materials with tunable electronic properties. |
| 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 |
|
| Language |
|
Wos |
000286770600010 |
Publication Date |
2011-01-20 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.836 |
Times cited |
6 |
Open Access |
|
| Notes |
; The author gratefully acknowledges discussions with A. V. Nikolaev and K. H. Michel. This work was financially supported by the Research Foundation-Flanders (FWO-Vl). ; |
Approved |
Most recent IF: 3.836; 2011 IF: 3.691 |
| Call Number |
UA @ lucian @ c:irua:88911 |
Serial |
2520 |
| Permanent link to this record |
| |
|
| |
| 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 |
|
| Corporate Author |
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Thesis |
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| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
000296950300041 |
Publication Date |
2011-09-17 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| 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 |
| |
|
| |
| Author |
Vandenberghe, W.G.; Sorée, B.; Magnus, W.; Groeseneken, G.; Fischetti, M.V. |
| Title |
Impact of field-induced quantum confinement in tunneling field-effect devices |
Type |
A1 Journal article |
| Year |
2011 |
Publication |
Applied physics letters |
Abbreviated Journal |
Appl Phys Lett |
| Volume |
98 |
Issue |
14 |
Pages |
143503,1-143503,3 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
Being the working principle of a tunnel field-effect transistor, band-to-band tunneling is given a rigorous quantum mechanical treatment to incorporate confinement effects, multiple electron and hole valleys, and interactions with phonons. The model reveals that the strong band bending near the gate dielectric, required to create short tunnel paths, results in quantization of the energy bands. Comparison with semiclassical models reveals a big shift in the onset of tunneling. The effective mass difference of the distinct valleys is found to reduce the subthreshold swing steepness. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
|
| Language |
|
Wos |
000289297800074 |
Publication Date |
2011-04-06 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0003-6951; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.411 |
Times cited |
76 |
Open Access |
|
| Notes |
; The authors acknowledge Anne Verhulst for useful discussions. William Vandenberghe gratefully acknowledges the support of a Ph.D. stipend from the Institute for the Promotion of Innovation through Science and Technology in Flanders (IWT-Vlaanderen). This work was supported by IMEC's Industrial Affiliation Program. ; |
Approved |
Most recent IF: 3.411; 2011 IF: 3.844 |
| Call Number |
UA @ lucian @ c:irua:89297 |
Serial |
1559 |
| Permanent link to this record |
| |
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| |
| Author |
Jammaer, J.; Aprile, C.; Verbruggen, S.W.; Lenaerts, S.; Pescarmona, P.P.; Martens, J.A. |
| Title |
A non-aqueous synthesis of TiO2SiO2 composites in supercritical CO2 for the photodegradation of pollutants |
Type |
A1 Journal article |
| Year |
2011 |
Publication |
Chemsuschem |
Abbreviated Journal |
Chemsuschem |
| Volume |
4 |
Issue |
10 |
Pages |
1457-1463 |
| Keywords |
A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
| Abstract |
Titania/silica composites with different Ti/Si ratios are synthesized via a nonconventional synthesis route. The synthesis involves non-aqueous reaction of metal alkoxides and formic acid at 75 °C in supercritical carbon dioxide. The as-prepared composite materials contain nanometer-sized anatase crystallites and amorphous silica. Large specific surface areas are obtained. The composites are evaluated in the photocatalytic degradation of phenol in aqueous medium, and in the elimination of acetaldehyde from air. The highest photocatalytic activity in both processes is achieved with a composite containing 40 wt % TiO2. |
| 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 |
000296497400010 |
Publication Date |
2011-05-20 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
1864-5631 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
7.226 |
Times cited |
15 |
Open Access |
|
| Notes |
; The authors acknowledge sponsorship from CECAT and Methusalem (long-term financing of the Flemish government). We thank Dr. E. Gobechiya for assistance with XRD measurements and A. Lemaire for assistance with mercury porosimetry measurements. ; |
Approved |
Most recent IF: 7.226; 2011 IF: 6.827 |
| Call Number |
UA @ admin @ c:irua:93363 |
Serial |
5973 |
| Permanent link to this record |
| |
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| |
| Author |
Amini, M.N.; Saniz, R.; Lamoen, D.; Partoens, B. |
| Title |
Hydrogen impurities and native defects in CdO |
Type |
A1 Journal article |
| Year |
2011 |
Publication |
Journal of applied physics |
Abbreviated Journal |
J Appl Phys |
| Volume |
110 |
Issue |
6 |
Pages |
063521,1-063521,7 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT) |
| Abstract |
We have used first-principles calculations based on density functional theory to study point defects in CdO within the local density approximation and beyond (LDA+U). Hydrogen interstitials and oxygen vacancies are found to act as shallow donors and can be interpreted as the cause of conductivity in CdO. Hydrogen can also occupy an oxygen vacancy in its substitutional form and also acts as a shallow donor. Similar to what was found for ZnO and MgO, hydrogen creates a multicenter bond with its six oxygen neighbors in CdO. The charge neutrality level for native defects and hydrogen impurities has been calculated. It is shown that in the case of native defects, it is not uniquely defined. Indeed, this level depends highly on the chemical potentials of the species and one can obtain different values for different end states in the experiment. Therefore, a comparison with experiment can only be made if the chemical potentials of the species in the experiment are well defined. However, for the hydrogen interstitial defect, since this level is independent of the chemical potential of hydrogen, one can obtain a unique value for the charge neutrality level. We find that the Fermi level stabilizes at 0.43 eV above the conduction band minimum in the case of the hydrogen interstitial defect, which is in good agreement with the experimentally reported value of 0.4 eV. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
|
| Language |
|
Wos |
000295619300041 |
Publication Date |
2011-09-23 |
| Series Editor |
|
Series Title |
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Abbreviated Series Title |
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| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0021-8979; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
2.068 |
Times cited |
13 |
Open Access |
|
| Notes |
; The authors gratefully acknowledge financial support from the IWT-Vlaanderen through the ISIMADE project, the FWO-Vlaanderen through Project G.0191.08 and the BOF-NOI of the University of Antwerp. This work was carried out using the HPC infrastructure at the University of Antwerp (CalcUA), a division of the Flemish Supercomputer Center VSC. ; |
Approved |
Most recent IF: 2.068; 2011 IF: 2.168 |
| Call Number |
UA @ lucian @ c:irua:93613 |
Serial |
1533 |
| Permanent link to this record |
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| |
| Author |
Radepont, M.; de Nolf, W.; Janssens, K.; van der Snickt, G.; Coquinot, Y.; Klaassen, L.; Cotte, M. |
| Title |
The use of microscopic X-ray diffraction for the study of HgS and its degradation products corderoite (\alpha-Hg3S2Cl2), kenhsuite (\gamma-Hg3S2Cl2) and calomel (Hg2Cl2) in historical paintings |
Type |
A1 Journal article |
| Year |
2011 |
Publication |
Journal of analytical atomic spectrometry |
Abbreviated Journal |
J Anal Atom Spectrom |
| Volume |
26 |
Issue |
5 |
Pages |
959-968 |
| Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
| Abstract |
Since antiquity, the red pigment mercury sulfide (α-HgS), called cinnabar in its natural form or vermilion red when synthetic, was very often used in frescoes and paintings, even if it was known to suffer occasionally from degradation. The paint hereby acquires a black or silver-grey aspect. The chemical characterization of these alteration products is rather challenging mainly because of the micrometric size and heterogeneity of the surface layers that develop and that are responsible for the color change. Methods such as electron microscopy, synchrotron-based microscopic X-ray fluorescence, microscopic X-ray absorption near edge spectroscopy, Raman microscopy and secondary ion microscopy have been previously employed to identify the (Hg- and S-) compounds present and to study their co-localization. Next to these, also microscopic X-ray diffraction (XRD) (either by making use of laboratory X-ray sources or when used at a synchrotron facility) allows the identification of the crystal phases that are present in degraded HgS paint layers. In this paper we employ these various forms of micro-XRD to analyze degraded red paint in different paintings and compare the results with other X-ray based methods. Whereas the elemental analyses of the degradation products revealed, next to mercury and sulfur, the presence of chlorine, X-ray diffraction allowed the identification, next to α-HgS, of the Hg and S-containing compound calomel (Hg2Cl2) but also of the Hg, S and Cl-containing minerals corderoite (α-Hg3S2Cl2) and kenhsuite (γ-Hg3S2Cl2). These observations are consistent with X-ray absorption spectroscopy measurements performed at the S- and Cl-edges. |
| 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 |
000289731900011 |
Publication Date |
2011-03-03 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0267-9477 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.379 |
Times cited |
40 |
Open Access |
|
| Notes |
; The authors gratefully acknowledge GOA programme “XANES meets EELS'' (University of Antwerp Research Council), the IUAP VI/P16 programme ”Nacho'' (BELSPO, Brussels, Belgium) and FWO (Brussels, Belgium) projects no. G.0689.06, G.0704.08 and G017909N for financial support, the ESRF for granting beamtime under proposals no. EC442 and EC720, and Gema Martinez-Criado for practical help on ID18F. The KMSKA staff is also gratefully acknowledged for their help and interest. Javier Chillida is thanked for providing us with the Pedralbes samples. The authors are also indebted to the CHARISMA project (grant agreement 228330) for financial support. ; |
Approved |
Most recent IF: 3.379; 2011 IF: 3.220 |
| Call Number |
UA @ admin @ c:irua:89927 |
Serial |
5896 |
| Permanent link to this record |
