| Records |
Author  |
de Oliveira, E.L.; Albuquerque, E.L.; de Sousa, J.S.; Farias, G.A.; Peeters, F.M. |
| Title |
Configuration-interaction excitonic absorption in small Si/Ge and Ge/Si core/shell nanocrystals |
Type |
A1 Journal article |
| Year |
2012 |
Publication |
The journal of physical chemistry: C : nanomaterials and interfaces |
Abbreviated Journal |
J Phys Chem C |
| Volume |
116 |
Issue |
7 |
Pages |
4399-4407 |
| Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
| Abstract |
The excitonic properties of Si(core)/Ge(shell) and Ge(core)/Si(shell) nanocrystals (NC's) with diameters of similar to 1.9 nm are investigated using a combination density functional ab initio method to obtain the single particle wave functions and a configuration interaction method to compute the exciton fine structure and absorption coefficient. These core/shell structures exhibit type II confinement, which is more pronounced for the Si/Ge NC as a consequence of strain. The absorption coefficients of these NC's exhibit a single dominant peak, which has a much larger oscillator strength than the multipeaks found for pure Si and Ge NC's. The exciton lifetime in Si, Ge, and Ge/Si shows a small i:emperature dependence in the range 10-300 K, whereas in Si/Ge, the exciton lifetime decreases more than an order of magnitude in the same temperature range. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
Washington, D.C. |
Editor |
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| Language |
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Wos |
000301156500007 |
Publication Date |
2012-01-04 |
| Series Editor |
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Series Title |
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Abbreviated Series Title |
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| Series Volume |
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Series Issue |
|
Edition |
|
| ISSN |
1932-7447;1932-7455; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
4.536 |
Times cited |
44 |
Open Access |
|
| Notes |
; The authors acknowledge financial support from CNPq and the bilateral program between Flanders and Brazil and the Belgian Science Foundation (IAP). ; |
Approved |
Most recent IF: 4.536; 2012 IF: 4.814 |
| Call Number |
UA @ lucian @ c:irua:113045 |
Serial |
482 |
| Permanent link to this record |
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| Author |
De Schepper, E.; Van Passel, S.; Manca, J.; Thewys, T. |
| Title |
Combining photovoltaics and sound barriers : a feasibility study |
Type |
A1 Journal article |
| Year |
2012 |
Publication |
Renewable Energy |
Abbreviated Journal |
Renew Energ |
| Volume |
46 |
Issue |
|
Pages |
297-303 |
| Keywords |
A1 Journal article; Engineering sciences. Technology; Engineering Management (ENM) |
| Abstract |
In the light of global warming, renewables such as solar photovoltaics (PV) are important to decrease greenhouse gas emissions. An important issue regarding implementation of solar panels on large scale, is the limited available area. Therefore, it can be interesting to combine PV with alternative applications, as a ways of not requiring “additional” space. One example is a photovoltaic noise barrier (PVNB), where a noise barrier located along a highway or railway is used as substructure for PV modules. Even though a PVNB is not a novel concept, the absence of economic assessments in literature can be a barrier to their wider implementation. In this paper, a feasibility study of a PVNB in Belgium is conducted, using a cost benefit analysis including a Monte Carlo sensitivity analysis. Besides purely economic aspects, also ecological benefits are monetized. The sensitivity analysis indicates that the ecological benefit of noise reduction, which is valuated using a noise sensitivity depreciation index applied to real estate prices, is of major importance in determining the net present value of the case study. On the contrary, the impact of reducing CO2 emissions seems to be negligible when expressed in monetary terms. The results suggest that the PVNB as a whole and also its separate components -.e. the PV array and the noise barrier can be profitable projects, when ecological benefits are included. (C) 2012 Elsevier Ltd. All rights reserved. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
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Editor |
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| Language |
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Wos |
000305169400036 |
Publication Date |
2012-04-06 |
| 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 |
|
| ISSN |
0960-1481 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
4.357 |
Times cited |
12 |
Open Access |
|
| Notes |
; ; |
Approved |
Most recent IF: 4.357; 2012 IF: 2.989 |
| Call Number |
UA @ admin @ c:irua:127555 |
Serial |
6170 |
| Permanent link to this record |
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| Author |
De Schepper, V.C.J.; Holvoet, K.M.A.; Benedetti, L.; Seuntjens, P.; Vanrolleghem, P.A. |
| Title |
Extension of the river water quality model no. 1 with the fate of pesticides |
Type |
A1 Journal article |
| Year |
2012 |
Publication |
Journal of hydroinformatics |
Abbreviated Journal |
|
| Volume |
14 |
Issue |
1 |
Pages |
48-64 |
| Keywords |
A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
| Abstract |
The existing River Water Quality Model No. 1 (RWQM1) was extended with processes determining the fate of non-volatile pesticides in the water phase and sediments. The exchange of pesticides between the water column and the sediment is described by three transport processes: diffusion, sedimentation and resuspension. Burial of sediments is also included. The modified model was used to simulate the concentrations of diuron and chloridazon in the river Nil. A good agreement was found between the simulated pesticide concentrations and measured values resulting from a four-month intensive monitoring campaign. The simulation results indicate that pesticide concentrations in the bulk water are not sensitive to the selected biochemical model parameters. it seems that these concentrations are mainly determined by the imposed upstream concentrations, run-off and direct losses. The high concentrations in the bulk water were not observed in the sediment pore water due to a limited exchange between the water column and the sediment. According to a sensitivity analysis, the observed pesticide concentrations are highly sensitive to the diffusion and sorption coefficients. Therefore, model users should determine these parameters with accuracy in order to reduce the degree of uncertainty in their results. |
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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 |
000298618300004 |
Publication Date |
2011-10-25 |
| 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 |
1464-7141 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
|
Times cited |
|
Open Access |
|
| Notes |
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Approved |
no |
| Call Number |
UA @ admin @ c:irua:96257 |
Serial |
7954 |
| Permanent link to this record |
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| Author |
de Sousa, J.S.; Covaci, L.; Peeters, F.M.; Farias, G.A. |
| Title |
Time-dependent investigation of charge injection in a quantum dot containing one electron |
Type |
A1 Journal article |
| Year |
2012 |
Publication |
Journal of applied physics |
Abbreviated Journal |
J Appl Phys |
| Volume |
112 |
Issue |
9 |
Pages |
093705-93709 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
The interaction of an injected electron towards a quantum dot (QD) containing a single confined electron is investigated using a flexible time-dependent quantum mechanics formalism, which allows both electrons to move and undergo quantum transitions. Different scenarios combining quantum dot dimensions, dielectric constant, injected wave packet energy, and width were explored, and our main results are: (i) due to the large characteristic transitions times between the confined state in the quantum dot and the delocalized state in the continuum, it is relatively difficult to ionize the occupied QD by Coulomb interaction solely and (ii) the charging state of the quantum dot can be sensed by direct injection of charges. (C) 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.4759292] |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
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| Language |
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Wos |
000311968400052 |
Publication Date |
2012-11-06 |
| 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 |
0021-8979; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
2.068 |
Times cited |
1 |
Open Access |
|
| Notes |
; This work was financially supported by the Brazilian National Research Council (CNPq), under Contract No. NanoBioEstruturas 555183/2005-0, Fundao Cearense de Apoio ao Desenvolvimento Cientfico e Tecnolgico (Funcap), CAPES, Pronex/CNPq/ Funcap, the Bilateral program between Flanders and Brazil, and the Flemish Science Foundation (FWO). ; |
Approved |
Most recent IF: 2.068; 2012 IF: 2.210 |
| Call Number |
UA @ lucian @ c:irua:106014 |
Serial |
3664 |
| Permanent link to this record |
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| Author |
De Trizio, L.; Figuerola, A.; Manna, L.; Genovese, A.; George, C.; Brescia, R.; Saghi, Z.; Simonutti, R.; van Huis, M.; Falqui, A. |
| Title |
Size-tunable, hexagonal plate-like Cu3P and Janus-like Cu-Cu3P nanocrystals |
Type |
A1 Journal article |
| Year |
2012 |
Publication |
ACS nano |
Abbreviated Journal |
Acs Nano |
| Volume |
6 |
Issue |
1 |
Pages |
32-41 |
| Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
| Abstract |
We describe two synthesis approaches to colloidal Cu3P nanocrystals using trioctylphosphine (TOP) as phosphorus precursor. One approach is based on the homogeneous nucleation of small Cu3P nanocrystals with hexagonal plate-like morphology and with sizes that can be tuned from 5 to 50 nm depending on the reaction time. In the other approach, metallic Cu nanocrystals are nucleated first and then they are progressively phosphorized to Cu3P. In this case, intermediate Janus-like dimeric nanoparticles can be isolated, which are made of two domains of different materials, Cu and Cu3P, sharing a flat epitaxial interface. The Janus-like nanoparticles can be transformed back to single-crystalline copper particles if they are annealed at high temperature under high vacuum conditions, which makes them an interesting source of phosphorus. The features of the Cu Cu3P Janus-like nanoparticles are compared with those of the Wiped microstructure discovered more than two decades ago in the rapidly quenched Cu Cu3P eutectic of the Cu P alloy, suggesting that other alloy/eutectic systems that display similar behavior might give origin to nanostructures with flat, epitaxial Interface between domains of two diverse materials. Finally, the electrochemical properties of the copper phosphide plates are studied, and they are found to be capable of undergoing lithiation/delithiation through a displacement reaction, while the Janus-like Cu Cu3P particles do not display an electrochemical behavior that would make them suitable for applications in batteries. |
| 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 |
000299368300006 |
Publication Date |
2011-12-03 |
| 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 |
1936-0851;1936-086X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
13.942 |
Times cited |
60 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 13.942; 2012 IF: 12.062 |
| Call Number |
UA @ lucian @ c:irua:99172 |
Serial |
3039 |
| Permanent link to this record |
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| Author |
De Vis, K.; Cagno, S.; Van Mol, W.; Schalm, O.; Janssens, K.; Caen, J. |
| Title |
The decolourization of manganese-stained glass : the conversion reaction and evaluation of its effectiveness |
Type |
P2 Proceeding |
| Year |
2012 |
Publication |
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Abbreviated Journal |
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| Volume |
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Issue |
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Pages |
463-468 |
| Keywords |
P2 Proceeding; Engineering sciences. Technology; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
| Abstract |
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| 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 |
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Publication Date |
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| Series Editor |
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Series Title |
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Abbreviated Series Title |
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| Series Volume |
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Series Issue |
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Edition |
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| ISSN |
978-90-72290-00-7 |
ISBN |
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Additional Links |
UA library record |
| Impact Factor |
|
Times cited |
|
Open Access |
|
| Notes |
|
Approved |
Most recent IF: NA |
| Call Number |
UA @ admin @ c:irua:115470 |
Serial |
5566 |
| Permanent link to this record |
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| Author |
De Wael, K.; Bashir, Q.; van Vlierberghe, S.; Dubruel, P.; Heering, H.A.; Adriaens, A. |
| Title |
Electrochemical determination of hydrogen peroxide with cytochrome c peroxidase and horse heart cytochrome c entrapped in a gelatin hydrogel |
Type |
A1 Journal article |
| Year |
2012 |
Publication |
Bioelectrochemistry: an international journal devoted to electrochemical aspects of biology and biological aspects of electrochemistry |
Abbreviated Journal |
Bioelectrochemistry |
| Volume |
83 |
Issue |
|
Pages |
15-18 |
| Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
| Abstract |
A novel and versatile method, based on a membrane-free enzyme electrode in which both the enzyme and a mediator protein are entrapped in a gelatine hydrogel was developed for the fabrication of biosensors. As a proof of principle, we prepared a hydrogen peroxide biosensor by successfully entrapping both horse heart cytochrome c (HHC) and Saccharomyces cerevisae cytochrome c peroxidase (CCP) in a gelatin matrix which is immobilized on a gold electrode. This electrode was first pretreated with 6-mercaptohexanol. The biosensor displayed a rapid response and an expanded linear response range from 0 to 0.3 mM (R = 0.987) with a detection limit of 1 × 10− 5 M in a HEPES buffer solution (pH 7.0). This method of encapsulation is now further investigated for industrial biosensor applications. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
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Editor |
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| Language |
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Wos |
000297962500003 |
Publication Date |
2011-08-03 |
| 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 |
1567-5394 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.346 |
Times cited |
31 |
Open Access |
|
| Notes |
; Karolien De Wael is grateful to the Research Foundation-Flanders (FWO, Belgium) for her postdoctoral fellowship. ; |
Approved |
Most recent IF: 3.346; 2012 IF: 3.947 |
| Call Number |
UA @ admin @ c:irua:92067 |
Serial |
5589 |
| Permanent link to this record |
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| Author |
De Wael, K.; Daems, D.; Van Camp, G.; Nagels, L.J. |
| Title |
The use of potentiometric sensors to study (bio)molecular interactions |
Type |
A1 Journal article |
| Year |
2012 |
Publication |
Analytical chemistry |
Abbreviated Journal |
Anal Chem |
| Volume |
84 |
Issue |
11 |
Pages |
4921-4927 |
| Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
| Abstract |
Potentiometric sensors were used to study molecular interactions in liquid environments, with sensorgram methodology. This is demonstrated with a lipophilic rubber-, and with a collagen based hydrogel sensor coating. The investigated molecules were promazine and tartaric acid respectively. The sensors were placed in a hydrodynamic wall jet system for the recording of sensorgrams. mV sensor responses were first converted to a signal, expressing the concentration of adsorbed organic ions. Using a linearization method, a pseudo first order kinetic model of adsorption was shown to fit the experimental results perfectly. Kass, kon and koff values were calculated.. The technique can be used over 4 decades of concentration, and it is very sensitive to low MW compounds as well as to multiply charged large biomolecules. This study is the first to demonstrate the application of potentiometric sensors as an alternative and complement to SPR methods. |
| 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 |
000304783100041 |
Publication Date |
2012-04-28 |
| 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 |
|
Edition |
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| ISSN |
0003-2700; 5206-882x |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
6.32 |
Times cited |
10 |
Open Access |
|
| Notes |
; Financial support for this work was provided by the University of Antwerp by granting D.D. a BOF interdisciplinary research project. We thank J. Everaert for his help in interpreting the results. K.D.W. and D.D. contributed equally to this work. ; |
Approved |
Most recent IF: 6.32; 2012 IF: 5.695 |
| Call Number |
UA @ admin @ c:irua:97520 |
Serial |
5898 |
| Permanent link to this record |
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| Author |
De Wael, K.; De Belder, S.; Pilehar, S.; Van Steenberge, G.; Herrebout, W.; Heering, H.A. |
| Title |
Enzyme-gelatin electrochemical biosensors : scaling down |
Type |
A1 Journal article |
| Year |
2012 |
Publication |
Biosensors |
Abbreviated Journal |
|
| Volume |
2 |
Issue |
|
Pages |
101-113 |
| Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Molecular Spectroscopy (MolSpec) |
| Abstract |
In this article we investigate the possibility of scaling down enzyme-gelatin modified electrodes by spin coating the enzyme-gelatin layer. Special attention is given to the electrochemical behavior of the selected enzymes inside the gelatin matrix. A glassy carbon electrode was used as a substrate to immobilize, in the first instance, horse heart cytochrome c (HHC) in a gelatin matrix. Both a drop dried and a spin coated layer was prepared. On scaling down, a transition from diffusion controlled reactions towards adsorption controlled reactions is observed. Compared to a drop dried electrode, a spin coated electrode showed a more stable electrochemical behavior. Next to HHC, we also incorporated catalase in a spin coated gelatin matrix immobilized on a glassy carbon electrode. By spincoating, highly uniform sub micrometer layers of biocompatible matrices can be constructed. A full electrochemical study and characterization of the modified surfaces has been carried out. It was clear that in the case of catalase, gluteraldehyde addition was needed to prevent leaking of the catalase from the gelatin matrix. |
| Address |
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| Corporate Author |
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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 |
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Publication Date |
2012-03-15 |
| 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 |
2079-6374 |
ISBN |
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Additional Links |
UA library record |
| Impact Factor |
|
Times cited |
|
Open Access |
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| Notes |
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Approved |
Most recent IF: NA |
| Call Number |
UA @ admin @ c:irua:96507 |
Serial |
5606 |
| Permanent link to this record |
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| Author |
Delabie, A.; Sioncke, S.; Rip, J.; Van Elshocht, S.; Pourtois, G.; Mueller, M.; Beckhoff, B.; Pierloot, K. |
| Title |
Reaction mechanisms for atomic layer deposition of aluminum oxide on semiconductor substrates |
Type |
A1 Journal article |
| Year |
2012 |
Publication |
Journal of vacuum science and technology: A: vacuum surfaces and films |
Abbreviated Journal |
J Vac Sci Technol A |
| Volume |
30 |
Issue |
1 |
Pages |
01a127-01a127,10 |
| Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| Abstract |
In this work, we have studied the TMA/H(2)O (TMA Al(CH(3))(3)) atomic layer deposition (ALD) of Al(2)O(3) on hydroxyl (OH) and thiol (SH) terminated semiconductor substrates. Total reflection x-ray fluorescence reveals a complex growth-per-cycle evolution during the early ALD reaction cycles. OH and SH terminated surfaces demonstrate growth inhibition from the second reaction cycle on. Theoretical calculations, based on density functional theory, are performed on cluster models to investigate the first TMA/H(2)O reaction cycle. Based on the theoretical results, we discuss possible mechanisms for the growth inhibition from the second reaction cycle on. In addition, our calculations show that AlCH(3) groups are hydrolyzed by a H(2)O molecule adsorbed on a neighboring Al atom, independent of the type of backbonds (Si-O, Ge-O, or Ge-S) of AlCH(3). The coordination of Al remains four-fold after the first TMA/H(2)O reaction cycle. (C) 2012 American Vacuum Society. [DOI: 10.1116/1.3664090] |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
New York, N.Y. |
Editor |
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| Language |
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Wos |
000298992800027 |
Publication Date |
2011-12-02 |
| 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 |
0734-2101; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
1.374 |
Times cited |
41 |
Open Access |
|
| Notes |
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Approved |
Most recent IF: 1.374; 2012 IF: 1.432 |
| Call Number |
UA @ lucian @ c:irua:96253 |
Serial |
2818 |
| Permanent link to this record |
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| Author |
Dendooven, J.; Goris, B.; Devloo-Casier, K.; Levrau, E.; Biermans, E.; Baklanov, M.R.; Ludwig, K.F.; van der Voort, P.; Bals, S.; Detavernier, C. |
| Title |
Tuning the pore size of ink-bottle mesopores by atomic layer deposition |
Type |
A1 Journal article |
| Year |
2012 |
Publication |
Chemistry of materials |
Abbreviated Journal |
Chem Mater |
| Volume |
24 |
Issue |
11 |
Pages |
1992-1994 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| 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 |
Washington, D.C. |
Editor |
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| Language |
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Wos |
000305092600002 |
Publication Date |
2012-05-03 |
| Series Editor |
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Series Title |
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Abbreviated Series Title |
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| Series Volume |
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Series Issue |
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Edition |
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| ISSN |
0897-4756;1520-5002; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
9.466 |
Times cited |
52 |
Open Access |
|
| Notes |
Fwo |
Approved |
Most recent IF: 9.466; 2012 IF: 8.238 |
| Call Number |
UA @ lucian @ c:irua:99078 |
Serial |
3760 |
| Permanent link to this record |
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| Author |
Dixit, H. |
| Title |
First-principles electronic structure calculations of transparent conducting oxide materials |
Type |
Doctoral thesis |
| Year |
2012 |
Publication |
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Abbreviated Journal |
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| Volume |
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Issue |
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Pages |
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| Keywords |
Doctoral thesis; Condensed Matter Theory (CMT) |
| 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 |
Antwerpen |
Editor |
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| Language |
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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 |
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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:99490 |
Serial |
1209 |
| Permanent link to this record |
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| Author |
Dixit, H.; Saniz, R.; Cottenier, S.; Lamoen, D.; Partoens, B. |
| Title |
Electronic structure of transparent oxides with the Tran-Blaha modified Becke-Johnson potential |
Type |
A1 Journal article |
| Year |
2012 |
Publication |
Journal of physics : condensed matter |
Abbreviated Journal |
J Phys-Condens Mat |
| Volume |
24 |
Issue |
20 |
Pages |
205503-205503,9 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT) |
| Abstract |
We present electronic band structures of transparent oxides calculated using the Tran-Blaha modified Becke-Johnson (TB-mBJ) potential. We studied the basic n-type conducting binary oxides In2O3, ZnO, CdO and SnO2 along with the p-type conducting ternary oxides delafossite CuXO2 (X = Al, Ga, In) and spinel ZnX2O4 (X = Co, Rh, Ir). The results are presented for calculated band gaps and effective electron masses. We discuss the improvements in the band gap determination using TB-mBJ compared to the standard generalized gradient approximation (GGA) in density functional theory (DFT) and also compare the electronic band structure with available results from the quasiparticle GW method. It is shown that the calculated band gaps compare well with the experimental and GW results, although the electron effective mass is generally overestimated. |
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| Corporate Author |
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Thesis |
|
| Publisher |
|
Place of Publication |
London |
Editor |
|
| Language |
|
Wos |
000303507100009 |
Publication Date |
2012-04-27 |
| 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 |
113 |
Open Access |
|
| Notes |
Iwt; Fwo |
Approved |
Most recent IF: 2.649; 2012 IF: 2.355 |
| Call Number |
UA @ lucian @ c:irua:98222 |
Serial |
1017 |
| Permanent link to this record |
| |
|
| |
| Author |
Dixon, E.; Hadermann, J.; Hayward, M.A. |
| Title |
Structures and magnetism of La1-xSrxMnO3-(0.5+x)/2 (0.67\leq x\leq1) phases |
Type |
A1 Journal article |
| Year |
2012 |
Publication |
Chemistry of materials |
Abbreviated Journal |
Chem Mater |
| Volume |
24 |
Issue |
8 |
Pages |
1486-1495 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
Topotactic reduction of La1-xSrxMnO3 (0.67 <= x <= 1) phases with sodium hydride yields a series of isoelectronic materials of composition La1-xSrxMnO3-(0.5+x)/2. Lanthanum rich members of the series (0.67 <= x <= 0.83) adopt anion deficient perovskite structures with a 6-layer -OTOOT'O- stacking sequence of sheets of octahedra/square-based pyramids (O) and sheets of tetrahedra (T). The strontium rich members of the series (0.83 <= x <= 1) incorporate “step defects” into this 6-layer structure in which the OTOOT'O stacking sequence is converted into either OOTOOT' or TOOT'OO at a defect plane which runs perpendicular to the [201] lattice plane. The step defects appear to provide a mechanism to relieve lattice strain and accommodate additional anion deficiency in phases with x > 0.83. Magnetization and neutron diffraction data indicate La1-xSrxMnO3-(0.5+x)/2 phases adopt antiferromagnetically ordered states at low-temperature in which the ordered arrangement of magnetic spins is incommensurate with the crystallographic lattice. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
Washington, D.C. |
Editor |
|
| Language |
|
Wos |
000303092300011 |
Publication Date |
2012-03-28 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0897-4756;1520-5002; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
9.466 |
Times cited |
13 |
Open Access |
|
| Notes |
Esteem 026019 |
Approved |
Most recent IF: 9.466; 2012 IF: 8.238 |
| Call Number |
UA @ lucian @ c:irua:98253 |
Serial |
3318 |
| Permanent link to this record |
| |
|
| |
| Author |
Djotyan, A.P.; Avetisyan, A.A.; Hao, Y.L.; Peeters, F.M. |
| Title |
Shallow donor near a semiconductor surface in the presence of locally spherical scanning tunneling microscope tip |
Type |
P1 Proceeding |
| Year |
2012 |
Publication |
Proceedings of the Society of Photo-optical Instrumentation Engineers
T2 – Conference on Photonics and Micro and Nano-structured Materials, JUN 28-30, 2011, Yerevan, ARMENIA |
Abbreviated Journal |
|
| Volume |
|
Issue |
|
Pages |
84140-84148 |
| Keywords |
P1 Proceeding; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
| Abstract |
We developed a variational approach to investigate the ground state energy and the extend of the wavefunction of a neutral donor located near a semiconductor surface in the presence of scanning tunneling microscope (STM) metallic tip. We apply the effective mass approximation and use a variational wavefunction that takes into account the influence of all image charges that arise due to the presence of a metallic tip. The behavior of the ground state energy when the tip approaches the semiconductor surface is investigated. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
000303856600020 |
Publication Date |
2012-01-20 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
8414 |
Series Issue |
|
Edition |
|
| ISSN |
|
ISBN |
|
Additional Links |
UA library record; WoS full record |
| Impact Factor |
|
Times cited |
|
Open Access |
|
| Notes |
; This work was supported by the Flemish Science Foundation (FWO-Vl), and the Belgian Science Policy. One of us (AAA) was supported by a fellowship from the Belgian Federal Science Policy Office (Belspo). ; |
Approved |
Most recent IF: NA |
| Call Number |
UA @ lucian @ c:irua:113047 |
Serial |
2987 |
| Permanent link to this record |
| |
|
| |
| Author |
Dubrovinsky, L.; Dubrovinskaia, N.; Prakapenka, V.B.; Abakumov, A.M. |
| Title |
Implementation of micro-ball nanodiamond anvils for high-pressure studies above 6 Mbar |
Type |
A1 Journal article |
| Year |
2012 |
Publication |
Nature communications |
Abbreviated Journal |
Nat Commun |
| Volume |
3 |
Issue |
|
Pages |
1163-1167 |
| Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
| Abstract |
Since invention of the diamond anvil cell technique in the late 1950s for studying materials at extreme conditions, the maximum static pressure generated so far at room temperature was reported to be about 400 GPa. Here we show that use of micro-semi-balls made of nanodiamond as second-stage anvils in conventional diamond anvil cells drastically extends the achievable pressure range in static compression experiments to above 600 GPa. Micro-anvils (10-50 mu m in diameter) of superhard nano-diamond (with a grain size below similar to 50 nm) were synthesized in a large volume press using a newly developed technique. In our pilot experiments on rhenium and gold we have studied the equation of state of rhenium at pressures up to 640 GPa and demonstrated the feasibility and crucial necessity of the in situ ultra high-pressure measurements for accurate determination of material properties at extreme conditions. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
000313514100073 |
Publication Date |
2012-10-23 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
2041-1723; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
12.124 |
Times cited |
150 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 12.124; 2012 IF: 10.015 |
| Call Number |
UA @ lucian @ c:irua:110134 |
Serial |
1563 |
| Permanent link to this record |
| |
|
| |
| Author |
Euán-Díaz, E.C.; Misko, V.R.; Peeters, F.M.; Herrera-Velarde, S.; Castaneda-Priego, R. |
| Title |
Single-file diffusion in periodic energy landscapes : the role of hydrodynamic interactions |
Type |
A1 Journal article |
| Year |
2012 |
Publication |
Physical review : E : statistical, nonlinear, and soft matter physics |
Abbreviated Journal |
Phys Rev E |
| Volume |
86 |
Issue |
3Part 1 |
Pages |
031123 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
We report on the dynamical properties of interacting colloids confined to one dimension and subjected to external periodic energy landscapes. We particularly focus on the influence of hydrodynamic interactions on the mean-square displacement. Using Brownian dynamics simulations, we study colloidal systems with two types of repulsive interparticle interactions, namely, Yukawa and superparamagnetic potentials. We find that in the homogeneous case, hydrodynamic interactions lead to an enhancement of the particle mobility and the mean-square displacement at long times scales as t(alpha), with alpha = 1/2 + epsilon and epsilon being a small correction. This correction, however, becomes much more important in the presence of an external field, which breaks the homogeneity of the particle distribution along the line and, therefore, promotes a richer dynamical scenario due to the hydrodynamical coupling among particles. We provide here the complete dynamical scenario in terms of the external potential parameters: amplitude and commensurability. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
American Institute of Physics |
Place of Publication |
Woodbury (NY) |
Editor |
|
| Language |
|
Wos |
000308873500002 |
Publication Date |
2012-09-21 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
1539-3755;1550-2376; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
2.366 |
Times cited |
14 |
Open Access |
|
| Notes |
; This work was partially supported by the “Odysseus” Program of the Flemish Government, the Flemish Science Foundation (FWO-Vl), and PIFI 3.4-PROMEP and CONACyT (Grant Nos. 61418/2007 and 102339/2008, Ph.D. Scholarship No. 230171/ 2010). ; |
Approved |
Most recent IF: 2.366; 2012 IF: 2.313 |
| Call Number |
UA @ lucian @ c:irua:101840 |
Serial |
3021 |
| Permanent link to this record |
| |
|
| |
| Author |
Fang, C.M.; van Huis, M.A.; Thijsse, B.J.; Zandbergen, H.W. |
| Title |
Stability and crystal structures of iron carbides : a comparison between the semi-empirical modified embedded atom method and quantum-mechanical DFT calculations |
Type |
A1 Journal article |
| Year |
2012 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
| Volume |
85 |
Issue |
5 |
Pages |
054116-054116,7 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
Iron carbides play a crucial role in steel manufacturing and processing and to a large extent determine the physical properties of steel products. The modified embedded atom method (MEAM) in combination with Lee's Fe-C potential is a good candidate for molecular dynamics simulations on larger Fe-C systems. Here, we investigate the stability and crystal structures of pure iron and binary iron carbides using MEAM and compare them with the experimental data and quantum-mechanical density functional theory calculations. The analysis shows that the Fe-C potential gives reasonable results for the relative stability of iron and iron carbides. The performance of MEAM for the prediction of the potential energy and the calculated lattice parameters at elevated temperature for pure iron phases and cementite are investigated as well. The conclusion is that Lee's MEAM Fe-C potential provides a promising basis for further molecular dynamics simulations of Fe-C alloys and steels at lower temperatures (up to 800 K). |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
000300931900004 |
Publication Date |
2012-02-29 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.836 |
Times cited |
18 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 3.836; 2012 IF: 3.767 |
| Call Number |
UA @ lucian @ c:irua:97201 |
Serial |
3117 |
| Permanent link to this record |
| |
|
| |
| Author |
Fang, C.M.; van Huis, M.A.; Zandbergen, H.W. |
| Title |
Stability and structures of the CFCC-TmC phases : a first-principles study |
Type |
A1 Journal article |
| Year |
2012 |
Publication |
Computational materials science |
Abbreviated Journal |
Comp Mater Sci |
| Volume |
51 |
Issue |
1 |
Pages |
146-150 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
The η-M6C, γ-M23C6, and π-M11C2 phases (M = Cr, Mn and Fe) have complex cubic lattices with lattice parameters of approximately 1.0 nm. They belong to the CFCC-TmC family (complex face-centered cubic transition metal carbides), display a rich variety of crystal structures, and play in important role in iron alloys and steels. Here we show that first-principles calculations predict high stability for the γ-M23C6 and η-M6C phases, and instability for the π-M11C2 phases, taking into account various compositional and structural possibilities. The calculations also show a wide variety in magnetic properties. The Cr-containing phases were found to be non-magnetic and the Fe-phases to be ferromagnetic, while the Mn-containing phases were found to be either ferrimagnetic or non-magnetic. Details of the local atomic structures, and the formation and stability of these precipitates in alloys are discussed. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
000296214300020 |
Publication Date |
2011-08-29 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0927-0256; |
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; 2012 IF: 1.878 |
| Call Number |
UA @ lucian @ c:irua:93277 |
Serial |
3119 |
| Permanent link to this record |
| |
|
| |
| Author |
Fei, G.; Xue-Chun, L.; Zhao, S.-X.; You-Nian, W. |
| Title |
Spatial variation behaviors of argon inductively coupled plasma during discharge mode transition |
Type |
A1 Journal article |
| Year |
2012 |
Publication |
Chinese physics B |
Abbreviated Journal |
Chinese Phys B |
| Volume |
21 |
Issue |
7 |
Pages |
075203 |
| Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| Abstract |
A Langmuir probe and an ICCD are employed to study the discharge mode transition in Ar inductively coupled plasma. Electron density and plasma emission intensity are measured during the E (capacitive discharge) to H (inductive discharge) mode transitions at different pressures. It is found that plasma exists with a low electron density and a weak emission intensity in the E mode, while it has a high electron density and a strong emission intensity in the H mode. Meanwhile, the plasma emission intensity spatial (2D image) profile is symmetrical in the H mode, but the 2D image is an asymmetric profile in the E mode. Moreover, the electron density and emission intensity jump up discontinuously at high pressure, but increase almost continuously at the E to H mode transition under low pressure. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
IOP publishing |
Place of Publication |
Bristol |
Editor |
|
| Language |
|
Wos |
000306558300058 |
Publication Date |
2012-07-19 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
1674-1056; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
1.223 |
Times cited |
11 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 1.223; 2012 IF: 1.148 |
| Call Number |
UA @ lucian @ c:irua:100843 |
Serial |
3065 |
| Permanent link to this record |
| |
|
| |
| Author |
Fenu, A.; De Wilde, W.; Gaertner, M.; Weemaes, M.; de Gueldre, G.; van de Steene, B. |
| Title |
Elaborating the membrane life concept in a full scale hollow-fibers MBR |
Type |
A1 Journal article |
| Year |
2012 |
Publication |
Journal of membrane science |
Abbreviated Journal |
|
| Volume |
421 |
Issue |
|
Pages |
349-354 |
| Keywords |
A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL) |
| Abstract |
The membrane life-time has a strong impact on competitivity and viability of MBRs. This study critically analyzes the membrane life-time concept, approaching it through different assessment methods. A full scale MBR's membrane life-time was assessed on the following: (i) maintaining the permeate flow throughput to the MBR; (ii) the permeability decline; (iii) oxidative aging; (iv) the increase in energy costs; and (v) mechanical aging. The method based on permeability decline provides a membrane life-time estimate up to a theoretical end. It was further elaborated inherently to operations with no long-term flux decline. The increase in operating pressure remains the main end-of-life trigger for deciding when to replace membrane modules. On the contrary, mechanical and permeate flow throughput analysis of the data are not able to provide a clear estimate of the membrane life-time. As for the membrane life-time estimation based on chlorine contact, it was found to be too optimistic. Complete irreversible fouling occurs before maximum contact time with chlorine is reached. At end-of-life operating conditions, the energy consumption raised of 170% due to the reduced flow rate. The cost raise appears high but still affordable. Earlier membrane replacement thus can never be counterbalanced by energy costs saving. (C) 2012 Elsevier B.V. All rights reserved. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
000308741100039 |
Publication Date |
2012-08-07 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0376-7388 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
|
Times cited |
|
Open Access |
|
| Notes |
|
Approved |
no |
| Call Number |
UA @ admin @ c:irua:101790 |
Serial |
7856 |
| Permanent link to this record |
| |
|
| |
| Author |
Frolov, D.D.; Kotovshchikov, Y.N.; Morozov, I.V.; Boltalin, A.I.; Fedorova, A.A.; Marikutsa, A.V.; Rumyantseva, M.N.; Gaskov, A.M.; Sadovskaya, E.M.; Abakumov, A.M. |
| Title |
Oxygen exchange on nanocrystalline tin dioxide modified by palladium |
Type |
A1 Journal article |
| Year |
2012 |
Publication |
Journal of solid state chemistry |
Abbreviated Journal |
J Solid State Chem |
| Volume |
186 |
Issue |
|
Pages |
1-8 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
Temperature-programmed oxygen isotopic exchange study was performed on nanocrystalline tin dioxide-based materials synthesized via sol-gel route and modified by palladium. Such materials are widely used as resistive gas sensors. The experiments were carried out in a flow-reactor up to complete isotopic substitution of oxygen. Substantial rates of isotopic exchange for SnO2 were observed from about 700 K. The distribution of isotopic molecules O-16(2). (OO)-O-16-O-18 and O-18(2) corresponds to simple dioxygen heteroexchange mechanism with single lattice oxygen atom. The modification of SnO2 by Pd introduced multiple heteroexchange mechanism with preliminary O-2 dissociation on the clusters surface. Spill-over of atomic oxygen from Pd to the surface of SnO2 and fast exchange with lattice oxygen result in more than 100% increase of apparent heteroexchange rate. The exchange on SnO2/Pd was shown to be a complex process involving partial deactivation of the catalytic centers at temperature higher than 750 K. (C) 2011 Elsevier Inc. All rights reserved. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
London |
Editor |
|
| Language |
|
Wos |
000299801400001 |
Publication Date |
2011-12-08 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| 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 |
34 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 2.299; 2012 IF: 2.040 |
| Call Number |
UA @ lucian @ c:irua:96202 |
Serial |
2546 |
| Permanent link to this record |
| |
|
| |
| Author |
Galván Moya, J.E.; Nelissen, K.; Peeters, F.M. |
| Title |
Structural transitions in vertically and horizontally coupled parabolic channels of Wigner crystals |
Type |
A1 Journal article |
| Year |
2012 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
| Volume |
86 |
Issue |
18 |
Pages |
184102-184109 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
Structural phase transitions in two vertically or horizontally coupled channels of strongly interacting particles are investigated. The particles are free to move in the x direction but are confined by a parabolic potential in the y direction. They interact with each other through a screened power-law potential (r(-n)e(-r/lambda)). In vertically coupled systems, the channels are stacked above each other in the direction perpendicular to the (x, y) plane, while in horizontally coupled systems both channels are aligned in the confinement direction. Using Monte Carlo (MC) simulations we obtain the ground-state configurations and the structural transitions as a function of the linear particle density and the separation between the channels. At zero temperature, the vertically coupled system exhibits a rich phase diagram with continuous and discontinuous transitions. On the other hand, the horizontally coupled system exhibits only a very limited number of phase transitions due to its symmetry. Further, we calculated the normal modes for the Wigner crystals in both cases. From MC simulations, we found that in the case of vertically coupled systems, the zigzag transition is only possible for low densities. A Ginzburg-Landau theory for the zigzag transition is presented, which predicts correctly the behavior of this transition from which we interpret the structural phase transition of the Wigner crystal through the reduction of the Brillouin zone. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
000310683600002 |
Publication Date |
2012-11-05 |
| 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 |
; This work was supported by the Flemish Science Foundation (FWO-Vl). ; |
Approved |
Most recent IF: 3.836; 2012 IF: 3.767 |
| Call Number |
UA @ lucian @ c:irua:105150 |
Serial |
3271 |
| Permanent link to this record |
| |
|
| |
| Author |
Gao, J.; Lebedev, O.I.; Turner, S.; Li, Y.F.; Lu, Y.H.; Feng, Y.P.; Boullay, P.; Prellier, W.; Van Tendeloo, G.; Wu, T. |
| Title |
Phase selection enabled formation of abrupt axial heterojunctions in branched oxide nanowires |
Type |
A1 Journal article |
| Year |
2012 |
Publication |
Nano letters |
Abbreviated Journal |
Nano Lett |
| Volume |
12 |
Issue |
1 |
Pages |
275-280 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
Rational synthesis of nanowires via the vaporliquidsolid (VLS) mechanism with compositional and structural controls is vitally important for fabricating functional nanodevices from bottom up. Here, we show that branched indium tin oxide nanowires can be in situ seeded in vapor transport growth using tailored AuCu alloys as catalyst. Furthermore, we demonstrate that VLS synthesis gives unprecedented freedom to navigate the ternary InSnO phase diagram, and a rare and bulk-unstable cubic phase can be selectively stabilized in nanowires. The stabilized cubic fluorite phase possesses an unusual almost equimolar concentration of In and Sn, forming a defect-free epitaxial interface with the conventional bixbyite phase of tin-doped indium oxide that is the most employed transparent conducting oxide. This rational methodology of selecting phases and making abrupt axial heterojunctions in nanowires presents advantages over the conventional synthesis routes, promising novel composition-modulated nanomaterials. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
Washington |
Editor |
|
| Language |
|
Wos |
000298943100048 |
Publication Date |
2011-12-05 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
1530-6984;1530-6992; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
12.712 |
Times cited |
25 |
Open Access |
|
| Notes |
Fwo |
Approved |
Most recent IF: 12.712; 2012 IF: 13.025 |
| Call Number |
UA @ lucian @ c:irua:94209 |
Serial |
2587 |
| Permanent link to this record |
| |
|
| |
| Author |
Gardner, G.P.; Go, Y.B.; Robinson, D.M.; Smith, P.F.; Hadermann, J.; Abakumov, A.; Greenblatt, M.; Dismukes, G.C. |
| Title |
Structural requirements in lithium cobalt oxides for the catalytic oxidation of water |
Type |
A1 Journal article |
| Year |
2012 |
Publication |
Angewandte Chemie: international edition in English |
Abbreviated Journal |
Angew Chem Int Edit |
| Volume |
51 |
Issue |
7 |
Pages |
1616-1619 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
|
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
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Place of Publication |
Weinheim |
Editor |
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| Language |
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Wos |
000299946400020 |
Publication Date |
2012-01-11 |
| 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 |
1433-7851; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
11.994 |
Times cited |
119 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 11.994; 2012 IF: 13.734 |
| Call Number |
UA @ lucian @ c:irua:99173 |
Serial |
3258 |
| Permanent link to this record |
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| |
| Author |
Gatto Rotondo, G.; Darchuk, L.; Swaenen, M.; Van Grieken, R. |
| Title |
Micro-Raman and SEM analysis of minerals from the Darhib mine, Egypt |
Type |
A1 Journal article |
| Year |
2012 |
Publication |
Journal of analytical sciences, methods and instrumentation |
Abbreviated Journal |
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| Volume |
2 |
Issue |
1 |
Pages |
42-47 |
| Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
| Abstract |
The Darhib mine is one of the several talc deposits in the Hamata area of southeastern Egypt. Several specimens of minerals coming from this mine were subjected to complementary investigation by micro-Raman spectrometry and scanning electron microscopy. The difficulty in their identification is the appearance of most of them: they are all very small and only visible under the mineral binocular microscope(×10 – ×40). They appear as small crystals in fissures and holes and a visual determination on colour and crystal gives only a guess of what kind of mineral it could be. Therefore, only after analyzing them by micro-Raman and scanning electron microscopy it was possible to identify their structure and they can be divided in three main groups: one is quite generic and several minerals of different species were identified, such as quartz, talc, mottramite and chrysocolla, very common in the talc mine (these ones are Si-based minerals); the other one is constituted by four samples which are Zn and/or Cu rich, which means minerals of the rosasite or aurichalcite groups; the last group is constituted by two samples containing mainly Pb.. |
| 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 |
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Publication Date |
2012-03-31 |
| 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 |
2164-2745; 2164-2753 |
ISBN |
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Additional Links |
UA library record |
| Impact Factor |
|
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:102567 |
Serial |
8232 |
| Permanent link to this record |
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| |
| Author |
Gengler, R.Y.N.; Toma, L.M.; Pardo, E.; Lloret, F.; Ke, X.; Van Tendeloo, G.; Gournis, D.; Rudolf, P. |
| Title |
Prussian blue analogues of reduced dimensionality |
Type |
A1 Journal article |
| Year |
2012 |
Publication |
Small |
Abbreviated Journal |
Small |
| Volume |
8 |
Issue |
16 |
Pages |
2532-2540 |
| Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
| Abstract |
Mixed-valence polycyanides (Prussian Blue analogues) possess a rich palette of properties spanning from room-temperature ferromagnetism to zero thermal expansion, which can be tuned by chemical modifications or the application of external stimuli (temperature, pressure, light irradiation). While molecule-based materials can combine physical and chemical properties associated with molecular-scale building blocks, their successful integration into real devices depends primarily on higher-order properties such as crystal size, shape, morphology, and organization. Herein a study of a new reduced-dimensionality system based on Prussian Blue analogues (PBAs) is presented. The system is built up by means of a modified Langmuir-Blodgett technique, where the PBA is synthesized from precursors in a self-limited reaction on a clay mineral surface. The focus of this work is understanding the magnetic properties of the PBAs in different periodic, low-dimensional arrangements, and the influence of the “on surface” synthesis on the final properties and dimensionality of the system. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
Weinheim |
Editor |
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| Language |
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Wos |
000307390300012 |
Publication Date |
2012-07-03 |
| 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 |
1613-6810; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
8.643 |
Times cited |
17 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 8.643; 2012 IF: 7.823 |
| Call Number |
UA @ lucian @ c:irua:101104 |
Serial |
2736 |
| Permanent link to this record |
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| |
| Author |
Gielis, J. |
| Title |
Temperate bamboos in ornamental horticulture: differentiators and spillover effects into the 21st century |
Type |
H3 Book chapter |
| Year |
2012 |
Publication |
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Abbreviated Journal |
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| Volume |
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Issue |
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Pages |
603-623
T2 - Proceedings of the 9th World Bamboo C |
| Keywords |
H3 Book chapter; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
| 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 |
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Publication Date |
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| Series Editor |
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Series Title |
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Abbreviated Series Title |
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| Series Volume |
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Series Issue |
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Edition |
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| ISSN |
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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 |
no |
| Call Number |
UA @ admin @ c:irua:97755 |
Serial |
8644 |
| Permanent link to this record |
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| Author |
Gielis, J.; Caratelli, D.; Fougerolle, Y.; Ricci, P.E.; Tavkelidze, I.; Gerats, T. |
| Title |
Universal natural shapes : from unifying shape description to simple methods for shape analysis and boundary value problems |
Type |
A1 Journal article |
| Year |
2012 |
Publication |
PLoS ONE |
Abbreviated Journal |
|
| Volume |
7 |
Issue |
9 |
Pages |
e29324-11 |
| Keywords |
A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
| Abstract |
Gielis curves and surfaces can describe a wide range of natural shapes and they have been used in various studies in biology and physics as descriptive tool. This has stimulated the generalization of widely used computational methods. Here we show that proper normalization of the Levenberg-Marquardt algorithm allows for efficient and robust reconstruction of Gielis curves, including self-intersecting and asymmetric curves, without increasing the overall complexity of the algorithm. Then, we show how complex curves of k-type can be constructed and how solutions to the Dirichlet problem for the Laplace equation on these complex domains can be derived using a semi-Fourier method. In all three methods, descriptive and computational power and efficiency is obtained in a surprisingly simple way. |
| 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 |
000309517500001 |
Publication Date |
2012-09-30 |
| 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 |
1932-6203 |
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:102202 |
Serial |
8711 |
| Permanent link to this record |
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| Author |
Gielis, J.; Potters, G. |
| Title |
Proceedings of the 9th World Bamboo Congress, Antwerp 2012 |
Type |
P3 Proceeding |
| Year |
2012 |
Publication |
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Abbreviated Journal |
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| Volume |
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Issue |
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Pages |
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| Keywords |
P3 Proceeding; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
| 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 |
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Publication Date |
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| Series Editor |
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Series Title |
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Abbreviated Series Title |
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| Series Volume |
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Series Issue |
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Edition |
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| ISSN |
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ISBN |
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Additional Links |
UA library record |
| Impact Factor |
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Times cited |
|
Open Access |
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| Notes |
|
Approved |
no |
| Call Number |
UA @ admin @ c:irua:97756 |
Serial |
8413 |
| Permanent link to this record |
