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Author |
Berdiyorov, G.R.; Peeters, F.M. |
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Title |
Influence of vacancy defects on the thermal stability of silicene: a reactive molecular dynamics study |
Type |
A1 Journal article |
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Year |
2014 |
Publication |
RSC advances |
Abbreviated Journal |
Rsc Adv |
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Volume |
4 |
Issue |
3 |
Pages |
1133-1137 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
The effect of vacancy defects on the structural properties and the thermal stability of free standing silicene – a buckled structure of hexagonally arranged silicon atoms – is studied using reactive molecular dynamics simulations. Pristine silicene is found to be stable up to 1500 K, above which the system transits to a three-dimensional amorphous configuration. Vacancy defects result in local structural changes in the system and considerably reduce the thermal stability of silicene: depending on the size of the vacancy defect, the critical temperature decreases by more than 30%. However, the system is still found to be stable well above room temperature within our simulation time of 500 ps. We found that the, stability of silicene can be increased by saturating the dangling bonds at the defect edges by foreign atoms (e.g., hydrogen). |
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Wos |
000327868400015 |
Publication Date |
2013-11-06 |
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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 |
2046-2069; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.108 |
Times cited |
62 |
Open Access |
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Notes |
; This work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem Foundation of the Flemish Government. The authors are grateful to Prof. Adri van Duin for his support with the ReaxFF force field. ; |
Approved |
Most recent IF: 3.108; 2014 IF: 3.840 |
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Call Number  |
UA @ lucian @ c:irua:112829 |
Serial |
1658 |
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Author |
de Backer, J.; Vos, W.; Van Holsbeke, C.; Vinchurkar, S.; Claes, R.; Parizel, P.M.; de Backer, W. |
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Title |
Effect of high-dose N-acetylcysteine on airway geometry, inflammation, and oxidative stress in COPD patients |
Type |
A1 Journal article |
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Year |
2013 |
Publication |
International Journal Of Chronic Obstructive Pulmonary Disease |
Abbreviated Journal |
Int J Chronic Obstr |
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Volume |
8 |
Issue |
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Pages |
569-579 |
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Keywords |
A1 Journal article; Biophysics and Biomedical Physics; Condensed Matter Theory (CMT); Antwerp Surgical Training, Anatomy and Research Centre (ASTARC); Laboratory Experimental Medicine and Pediatrics (LEMP) |
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Abstract |
Background: Previous studies have demonstrated the potential beneficial effect of N-acetylcysteine (NAC) in chronic obstructive pulmonary disease (COPD). However, the required dose and responder phenotype remain unclear. The current study investigated the effect of high-dose NAC on airway geometry, inflammation, and oxidative stress in COPD patients. Novel functional respiratory imaging methods combining multislice computed tomography images and computer-based flow simulations were used with high sensitivity for detecting changes induced by the therapy. Methods: Twelve patients with Global Initiative for Chronic Obstructive Lung Disease stage II COPD were randomized to receive NAC 1800 mg or placebo daily for 3 months and were then crossed over to the alternative treatment for a further 3 months. Results: Significant correlations were found between image-based resistance values and glutathione levels after treatment with NAC (P = 0.011) and glutathione peroxidase at baseline (P = 0.036). Image-based resistance values appeared to be a good predictor for glutathione peroxidase levels after NAC (P = 0.02), changes in glutathione peroxidase levels (P = 0.035), and reduction in lobar functional residual capacity levels (P = 0.00084). In the limited set of responders to NAC therapy, the changes in airway resistance were in the same order as changes induced by budesonide/formoterol. Conclusion: A combination of glutathione, glutathione peroxidase, and imaging parameters could potentially be used to phenotype COPD patients who would benefit from addition of NAC to their current therapy. The findings of this small pilot study need to be confirmed in a larger pivotal trial. |
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Wos |
000327537300001 |
Publication Date |
2013-11-21 |
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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 |
1178-2005; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.157 |
Times cited |
21 |
Open Access |
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Notes |
; JDB is a founder/shareholder of FluidDA NV, Kontich, Belgium. WV, SV, and CVH are employed by FluidDA NV, and WDB is the director of FluidDA NV. PMP and RC have no conflicts of interest to report. The study was supported by Zambon SpA, Bresso, Italy. ; |
Approved |
Most recent IF: 3.157; 2013 IF: NA |
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Call Number |
UA @ lucian @ c:irua:112799 |
Serial |
813 |
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Author |
Morozov, V.A.; Bertha, A.; Meert, K.W.; Van Rompaey, S.; Batuk, D.; Martinez, G.T.; Van Aert, S.; Smet, P.F.; Raskina, M.V.; Poelman, D.; Abakumov, A.M.; Hadermann, J.; |
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Title |
Incommensurate modulation and luminescence in the CaGd2(1-x)Eu2x(MoO4)4(1-y)(WO)4y (0\leq x\leq1, 0\leq y\leq1) red phosphors |
Type |
A1 Journal article |
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Year |
2013 |
Publication |
Chemistry of materials |
Abbreviated Journal |
Chem Mater |
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Volume |
25 |
Issue |
21 |
Pages |
4387-4395 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
Scheelite related compounds (A',A '') [(B',B '')O-4], with B', B '' = W and/or Mo are promising new light-emitting materials for photonic applications, including phosphor converted LEDs (light-emitting diodes). In this paper, the creation and ordering of A-cation vacancies and the effect of cation substitutions in the scheelite-type framework are investigated as a factor for controlling the scheelite-type structure and luminescent properties. CaGd2(1-x)Eu2x(MoO4)(4(1-y))(WO4)(4y) (0 <= x <= 1, 0 <= y <= 1) solid solutions with scheelite-type structure were synthesized by a solid state method, and their structures were investigated using a combination of transmission electron microscopy techniques and powder X-ray diffraction. Within this series all complex molybdenum oxides have (3 + 2)D incommensurately modulated structures with superspace group I4(1)/a(alpha,beta,0)00(-beta,alpha,0)00, while the structures of all tungstates are (3 + 1)D incommensurately modulated with superspace group I2/b(alpha beta 0)00. In both cases the modulation arises because of cation-vacancy ordering at the A site. The prominent structural motif is formed by columns of A-site vacancies running along the c-axis. These vacant columns occur in rows of two or three aligned along the [110] direction of the scheelite subcell. The replacement of the smaller Gd3+ by the larger Eu3+ at the A-sublattice does not affect the nature of the incommensurate modulation, but an increasing replacement of Mo6+ by W6+ switches the modulation from (3 + 2)D to (3 + 1)D regime. Thus, these solid solutions can be considered as a model system where the incommensurate modulation can be monitored as a function of cation nature while the number of cation vacancies at the A sites remain constant upon the isovalent cation replacement. All compounds' luminescent properties were measured, and the optical properties were related to the structural properties of the materials. CaGd2(1-x)(MoO4)(4(1-y))(WO4)(4y) phosphors emit intense red light dominated by the D-5(0)-F-7(2) transition at 612 nm, along with other transitions from the D-5(1) and D-5(0) excited states. The intensity of the 5D0-7F2 transition reaches a maximum at x = 0.5 for y = 0 and 1. |
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Place of Publication |
Washington, D.C. |
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Wos |
000327045000030 |
Publication Date |
2013-09-24 |
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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 |
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Impact Factor |
9.466 |
Times cited |
63 |
Open Access |
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Notes |
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Approved |
Most recent IF: 9.466; 2013 IF: 8.535 |
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Call Number |
UA @ lucian @ c:irua:112776 |
Serial |
1594 |
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Author |
Shariat, M.; Shokri, B.; Neyts, E.C. |
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Title |
On the low-temperature growth mechanism of single walled carbon nanotubes in plasma enhanced chemical vapor deposition |
Type |
A1 Journal article |
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Year |
2013 |
Publication |
Chemical physics letters |
Abbreviated Journal |
Chem Phys Lett |
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Volume |
590 |
Issue |
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Pages |
131-135 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
Despite significant progress in single walled carbon nanotube (SWCNT) production by plasma enhanced chemical vapor deposition (PECVD), the growth mechanism in this method is not clearly understood. We employ reactive molecular dynamics simulations to investigate how plasma-based deposition allows growth at low temperature. We first investigate the SWCNT growth mechanism at low and high temperatures under conditions similar to thermal CVD and PECVD. We then show how ion bombardment during the nucleation stage increases the carbon solubility in the catalyst at low temperature. Finally, we demonstrate how moderate energy ions sputter amorphous carbon allowing for SWCNT growth at 500 K. (C) 2013 Elsevier B. V. All rights reserved. |
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Place of Publication |
Amsterdam |
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Wos |
000327721000024 |
Publication Date |
2013-10-27 |
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Abbreviated Series Title |
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Edition |
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ISSN |
0009-2614; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
1.815 |
Times cited |
14 |
Open Access |
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Notes |
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Approved |
Most recent IF: 1.815; 2013 IF: 1.991 |
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Call Number |
UA @ lucian @ c:irua:112775 |
Serial |
2439 |
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Author |
Rodríguez-Fernández, D.; Altantzis, T.; Heidari, H.; Bals, S.; Liz-Marzan, L.M. |
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Title |
A protecting group approach toward synthesis of Au-silica Janus nanostars |
Type |
A1 Journal article |
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Year |
2014 |
Publication |
Chemical communications |
Abbreviated Journal |
Chem Commun |
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Volume |
50 |
Issue |
1 |
Pages |
79-81 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
The concept of protecting groups, widely used in organic chemistry, has been applied for the synthesis of Au-silica Janus stars, in which gold branches protrude from one half of Au-silica Janus spheres. This configuration opens up new possibilities to apply the plasmonic properties of gold nanostars, as well as a variety of chemical functionalizations on the silica component. |
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Place of Publication |
London |
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Wos |
000327606000017 |
Publication Date |
2013-10-22 |
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Abbreviated Series Title |
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Series Issue |
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Edition |
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ISSN |
1359-7345;1364-548X; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
6.319 |
Times cited |
26 |
Open Access |
OpenAccess |
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Notes |
262348 Esmi; 335078 Colouratom; 267867 Plasmaquo; ECAS_Sara; (ROMEO:yellow; preprint:; postprint:restricted ; pdfversion:cannot); |
Approved |
Most recent IF: 6.319; 2014 IF: 6.834 |
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Call Number |
UA @ lucian @ c:irua:112774 |
Serial |
2732 |
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Author |
Damm, H.; Kelchtermans, A.; Bertha, A.; Van den Broeck, F.; Elen, K.; Martins, J.C.; Carleer, R.; D'Haen, J.; De Dobbelaere, C.; Hadermann, J.; Hardy, A.; Van Bael, M.K.; |
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Title |
Thermal decomposition synthesis of Al-doped ZnO nanoparticles : an in-depth study |
Type |
A1 Journal article |
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Year |
2013 |
Publication |
RSC advances |
Abbreviated Journal |
Rsc Adv |
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Volume |
3 |
Issue |
45 |
Pages |
23745-23754 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
Al-doped ZnO nanoparticles are synthesized by means of a heating up solution based thermal decomposition method. The synthesis involves a reaction of zinc acetylacetonate hydrate, aluminium acetylacetonate and 1,2-hexadecanediol in the presence of oleic acid and oleyl amine. A proposed reaction mechanism from reagents to monomers is corroborated by analysis of the evolving gases using headspace GC-MS analysis. The Al-doped ZnO nanoparticles synthesized are dynamically stabilized by adsorbed oleate ions, after deprotonation of oleic acid by oleyl amine, as was found by NOESY proton NMR and complementary FTIR spectroscopy. Precession electron diffraction shows a simultaneous increase in lattice parameters with Al concentration. This, together with HAADF-STEM and EDX maps, indicates the incorporation of Al into the ZnO nanoparticles. By the combination of complementary characterization methods during all stages of the synthesis, it is concluded that Al is incorporated into the ZnO wurtzite lattice as a dopant. |
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Wos |
000326395800139 |
Publication Date |
2013-10-18 |
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Series Editor |
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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 |
2046-2069; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.108 |
Times cited |
10 |
Open Access |
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Notes |
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Approved |
Most recent IF: 3.108; 2013 IF: 3.708 |
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Call Number |
UA @ lucian @ c:irua:112753 |
Serial |
3627 |
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Author |
Retuerto, M.; Li, M.R.; Ignatov, A.; Croft, M.; Ramanujachary, K.V.; Chi, S.; Hodges, J.P.; Dachraoui, W.; Hadermann, J.; Tran, T.T.; Halasyamani, P.S.; Grams, C.P.; Hemberger, J.; Greenblatt, M.; |
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Title |
Polar and magnetic layered A-site and rock salt B-site-ordered NaLnFeWO6 (Ln = La, Nd) perovskites |
Type |
A1 Journal article |
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Year |
2013 |
Publication |
Inorganic chemistry |
Abbreviated Journal |
Inorg Chem |
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Volume |
52 |
Issue |
21 |
Pages |
12482-12491 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
We have expanded the double perovskite family of materials with the unusual combination of layered order in the A sublattice and rock salt order over the B sublattice to compounds NaLaFeWO6 and NaNdFeWO6. The materials have been synthesized and studied by powder X-ray diffraction, neutron diffraction, electron diffraction, magnetic measurements, X-ray absorption spectroscopy, dielectric measurements, and second harmonic generation. At room temperature, the crystal structures of both compounds can be defined in the noncentrosymmetric monoclinic P2(1) space group resulting from the combination of ordering both in the A and B sublattices, the distortion of the cell due to tilting of the octahedra, and the displacement of certain cations. The magnetic studies show that both compounds are ordered antiferromagnetically below T-N approximate to 25 K for NaLaFeWO6 and at similar to 21 K for NaNdFeWO6. The magnetic structure of NaNdFeWO6 has been solved with a propagation vector k = (1/2 0 1/2) as an antiferromagnetic arrangement of Fe and Nd moments. Although the samples are potential multiferroics, the dielectric measurements do not show a ferroelectric response. |
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Place of Publication |
Easton, Pa |
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Wos |
000326669200035 |
Publication Date |
2013-10-18 |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0020-1669;1520-510X; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
4.857 |
Times cited |
17 |
Open Access |
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Notes |
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Approved |
Most recent IF: 4.857; 2013 IF: 4.794 |
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Call Number |
UA @ lucian @ c:irua:112714 |
Serial |
2656 |
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Author |
Shakouri, K.; Badalyan, S.M.; Peeters, F.M. |
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Title |
Helical liquid of snake states |
Type |
A1 Journal article |
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Year |
2013 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
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Volume |
88 |
Issue |
19 |
Pages |
195404-195405 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
We derive an exact solution to the problem of spin snake states induced in a nonhomogeneous magnetic field by a combined action of the Rashba spin-orbit and Zeeman fields. The electron spin behavior as a function of the cyclotron orbit center position and an external homogeneous magnetic field was obtained. It is shown that in an antisymmetric magnetic field the electron spin in the snake states has only an in-plane projection, perpendicular to the magnetic interface, which vanishes at large positive momenta. Applying an external homogeneous magnetic field adds a finite out-of-plane spin component and simultaneously gaps out the spectral branches, which results in regular beating patterns of the spin current components. |
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Place of Publication |
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Wos |
000326820200007 |
Publication Date |
2013-11-07 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1098-0121;1550-235X; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.836 |
Times cited |
3 |
Open Access |
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Notes |
; This work was supported by the Methusalem program of the Flemish government and the Flemish Science Foundation (FWO-Vl). ; |
Approved |
Most recent IF: 3.836; 2013 IF: 3.664 |
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Call Number |
UA @ lucian @ c:irua:112712 |
Serial |
1416 |
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Author |
Badalyan, S.M.; Matos-Abiague, A.; Fabian, J.; Vignale, G.; Peeters, F.M. |
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Title |
Spin-orbit-interaction induced singularity of the charge density relaxation propagator |
Type |
A1 Journal article |
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Year |
2013 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
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Volume |
88 |
Issue |
19 |
Pages |
195402-195405 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
The charge density relaxation propagator of a two-dimensional electron system, which is the slope of the imaginary part of the polarization function, exhibits singularities for bosonic momenta having the order of the spin-orbit momentum and depending on the momentum orientation. We have provided an intuitive understanding for this nonanalytic behavior in terms of the interchirality subband electronic transitions, induced by the combined action of Bychkov-Rashba (BR) and Dresselhaus (D) spin-orbit coupling. It is shown that the regular behavior of the relaxation propagator is recovered in the presence of only one BR or D spin-orbit field or for spin-orbit interaction with equal BR and D coupling strengths. This creates a new possibility to influence carrier relaxation properties by means of an applied electric field. |
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Place of Publication |
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Wos |
000326820200005 |
Publication Date |
2013-11-07 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1098-0121;1550-235X; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.836 |
Times cited |
2 |
Open Access |
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Notes |
; We acknowledge support from the Methusalem program of the Flemish government and the Flemish Science Foundation (FWO-Vl), DFG SFB Grant 689, and NSF Grant DMR-1104788 (G.V.). ; |
Approved |
Most recent IF: 3.836; 2013 IF: 3.664 |
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Call Number |
UA @ lucian @ c:irua:112711 |
Serial |
3093 |
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Author |
Marikutsa, A.V.; Rumyantseva, M.N.; Frolov, D.D.; Morozov, I.V.; Boltalin, A.I.; Fedorova, A.A.; Petukhov, I.A.; Yashina, L.V.; Konstantinova, E.A.; Sadovskaya, E.M.; Abakumov, A.M.; Zubavichus, Y.V.; Gaskov, A.M.; |
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Title |
Role of PdOx and RuOy clusters in oxygen exchange between nanocrystalline tin dioxide and the gas phase |
Type |
A1 Journal article |
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Year |
2013 |
Publication |
The journal of physical chemistry: C : nanomaterials and interfaces |
Abbreviated Journal |
J Phys Chem C |
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Volume |
117 |
Issue |
45 |
Pages |
23858-23867 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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Abstract |
The effect of palladium- and ruthenium-based clusters on nanocrystalline tin dioxide interaction with oxygen was studied by temperature-programmed oxygen isotopic exchange with mass-spectrometry detection. The modification of aqueous sol-gel prepared SnO2 by palladium and, to a larger extent, by ruthenium, increases surface oxygen concentration on the materials. The revealed effects on oxygen exchange-lowering the threshold temperature, separation of surface oxygen contribution to the process, increase of heteroexchange rate and oxygen diffusion coefficient, decrease of activation energies of exchange and diffusion-were more intensive for Ru-modified SnO2 than in the case of SnO2/Pd. The superior promoting activity of ruthenium on tin dioxide interaction with oxygen was interpreted by favoring the dissociative O-2 adsorption and increasing the oxygen mobility, taking into account the structure and chemical composition of the modifier clusters. |
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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 |
000327110500046 |
Publication Date |
2013-10-04 |
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Abbreviated Series Title |
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| |
Series Volume |
|
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 |
20 |
Open Access |
|
|
| |
Notes |
|
Approved |
Most recent IF: 4.536; 2013 IF: 4.835 |
|
| |
Call Number |
UA @ lucian @ c:irua:112706 |
Serial |
2924 |
|
| Permanent link to this record |
| |
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| |
|
Author |
Čukarić, N.A.; Tadić, M.Z.; Partoens, B.; Peeters, F.M. |
|
| |
Title |
30-band k\cdot p model of electron and hole states in silicon quantum wells |
Type |
A1 Journal article |
| |
Year |
2013 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
|
| |
Volume |
88 |
Issue |
20 |
Pages |
205306 |
|
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
| |
Abstract |
We modeled the electron and hole states in Si/SiO2 quantum wells within a basis of standing waves using the 30-band k . p theory. The hard-wall confinement potential is assumed, and the influence of the peculiar band structure of bulk silicon on the quantum-well sub-bands is explored. Numerous spurious solutions in the conduction-band and valence-band energy spectra are found and are identified to be of two types: (1) spurious states which have large contributions of the bulk solutions with large wave vectors (the high-k spurious solutions) and (2) states which originate mainly from the spurious valley outside the Brillouin zone (the extravalley spurious solutions). An algorithm to remove all those nonphysical solutions from the electron and hole energy spectra is proposed. Furthermore, slow and oscillatory convergence of the hole energy levels with the number of basis functions is found and is explained by the peculiar band mixing and the confinement in the considered quantum well. We discovered that assuming the hard-wall potential leads to numerical instability of the hole states computation. Nonetheless, allowing the envelope functions to exponentially decay in a barrier of finite height is found to improve the accuracy of the computed hole states. |
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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 |
|
Editor |
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| |
Language |
|
Wos |
000327161500007 |
Publication Date |
2013-11-20 |
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| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
3.836 |
Times cited |
10 |
Open Access |
|
|
| |
Notes |
; This work was supported by the Ministry of Education, Science, and Technological Development of Serbia, the Belgian Science Policy (IAP), the Flemish fund for Scientific Research (FWO-Vl), and the Methusalem programme of the Flemish government. ; |
Approved |
Most recent IF: 3.836; 2013 IF: 3.664 |
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| |
Call Number |
UA @ lucian @ c:irua:112704 |
Serial |
18 |
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| Permanent link to this record |
| |
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| |
|
Author |
Shariat, M.; Hosseini, S.I.; Shokri, B.; Neyts, E.C. |
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| |
Title |
Plasma enhanced growth of single walled carbon nanotubes at low temperature : a reactive molecular dynamics simulation |
Type |
A1 Journal article |
| |
Year |
2013 |
Publication |
Carbon |
Abbreviated Journal |
Carbon |
|
| |
Volume |
65 |
Issue |
|
Pages |
269-276 |
|
| |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
|
| |
Abstract |
Low-temperature growth of carbon nanotubes (CNTs) has been claimed to provide a route towards chiral-selective growth, enabling a host of applications. In this contribution, we employ reactive molecular dynamics simulations to demonstrate how plasma-based deposition allows such low-temperature growth. We first show how ion bombardment during the growth affects the carbon dissolution and precipitation process. We then continue to demonstrate how a narrow ion energy window allows CNT growth at 500 K. Finally, we also show how CNTs in contrast cannot be grown in thermal CVD at this low temperature, but only at high temperature, in agreement with experimental data. (C) 2013 Elsevier Ltd. All rights reserved. |
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Address |
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Corporate Author |
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Thesis |
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| |
Publisher |
|
Place of Publication |
Oxford |
Editor |
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| |
Language |
|
Wos |
000326773200031 |
Publication Date |
2013-08-23 |
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| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
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| |
ISSN |
0008-6223; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
6.337 |
Times cited |
21 |
Open Access |
|
|
| |
Notes |
|
Approved |
Most recent IF: 6.337; 2013 IF: 6.160 |
|
| |
Call Number |
UA @ lucian @ c:irua:112697 |
Serial |
2635 |
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| Permanent link to this record |
| |
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| |
|
Author |
Petrovic, M.D.; Peeters, F.M.; Chaves, A.; Farias, G.A. |
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| |
Title |
Conductance maps of quantum rings due to a local potential perturbation |
Type |
A1 Journal article |
| |
Year |
2013 |
Publication |
Journal of physics : condensed matter |
Abbreviated Journal |
J Phys-Condens Mat |
|
| |
Volume |
25 |
Issue |
49 |
Pages |
495301-495309 |
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| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
| |
Abstract |
We performed a numerical simulation of the dynamics of a Gaussian shaped wavepacket inside a small sized quantum ring, smoothly connected to two leads and exposed to a perturbing potential of a biased atomic force microscope tip. Using the Landauer formalism, we calculated conductance maps of this system in the case of single and two subband transport. We explain the main features in the conductance maps as due to the AFM tip influence on the wavepacket phase and amplitude. In the presence of an external magnetic field, the tip modifies the phi(0) periodic Aharonov-Bohm oscillation pattern into a phi(0)/2 periodic Al'tshuler-Aronov-Spivak oscillation pattern. Our results in the case of multiband transport suggest tip selectivity to higher subbands, making them more observable in the total |
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| |
Address |
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Corporate Author |
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Thesis |
|
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| |
Publisher |
|
Place of Publication |
London |
Editor |
|
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| |
Language |
|
Wos |
000327181400002 |
Publication Date |
2013-11-01 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0953-8984;1361-648X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
2.649 |
Times cited |
12 |
Open Access |
|
|
| |
Notes |
; This work was supported by the Methusalem programme of the Flemish government, the CNPq-FWO bilateral programme and PNPD and FUNCAP/PRONEX grants. ; |
Approved |
Most recent IF: 2.649; 2013 IF: 2.223 |
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| |
Call Number |
UA @ lucian @ c:irua:112694 |
Serial |
478 |
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| Permanent link to this record |
| |
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| |
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Author |
Mei, B.; Wiktor, C.; Turner, S.; Pougin, A.; Van Tendeloo, G.; Fischer, R.A.; Muhler, M.; Strunk, J. |
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| |
Title |
Evidence for metalsupport interactions in Au modified TiOx/SBA-15 materials prepared by photodeposition |
Type |
A1 Journal article |
| |
Year |
2013 |
Publication |
ACS catalysis |
Abbreviated Journal |
Acs Catal |
|
| |
Volume |
3 |
Issue |
12 |
Pages |
3041-3049 |
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| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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| |
Abstract |
Gold nanoparticles have been efficiently photodeposited onto titanate-loaded SBA-15 (Ti(x)/SBA-15) with different titania coordination. Transmission electron microscopy shows that relatively large Au nanoparticles are photodeposited on the outer surface of the Ti(x)/SBA-15 materials and that TiOx tends to form agglomerates in close proximity to the Au nanoparticles, often forming coreshell Au/TiOx structures. This behavior resembles typical processes observed due to strong-metal support interactions. In the presence of gold, the formation of hydrogen on Ti(x)/SBA-15 during the photodeposition process and the performance in the hydroxylation of terephthalic acid is greatly enhanced. The activity of the Au/Ti(x)/SBA-15 materials is found to depend on the TiOx loading, increasing with a larger amount of initially isolated TiO4 tetrahedra. Samples with initially clustered TiOx species show lower photocatalytic activities. When isolated zinc oxide (ZnOx) species are present on Ti(x)/SBA-15, gold nanoparticles are smaller and well dispersed within the pores. Agglomeration of TiOx species and the formation of Au/TiOx structures is negligible. The dispersion of gold and the formation of Au/TiOx in the SBA-15 matrix seem to depend on the mobility of the TiOx species. The mobility is determined by the initial degree of agglomeration of TiOx. Effective hydrogen evolution requires Au/TiOx coreshell composites as in Au/Ti(x)/SBA-15, whereas hydroxylation of terephthalic acid can also be performed with Au/ZnOx/TiOx/SBA-15 materials. However, isolated TiOx species have to be grafted onto the support prior to the zinc oxide species, providing strong evidence for the necessity of TiOSi bridges for high photocatalytic activity in terephthalic acid hydroxylation. |
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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 |
000328231400044 |
Publication Date |
2013-11-05 |
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| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
2155-5435;2155-5435; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
10.614 |
Times cited |
22 |
Open Access |
|
|
| |
Notes |
262348 ESMI; FWO; 246791 COUNTATOMS; IAP-PAI; Hercules |
Approved |
Most recent IF: 10.614; 2013 IF: 7.572 |
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| |
Call Number |
UA @ lucian @ c:irua:112502 |
Serial |
1094 |
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| Permanent link to this record |
| |
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| |
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Author |
van Oers, C.J.; Kurttepeli, M.; Mertens, M.; Bals, S.; Meynen, V.; Cool, P. |
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| |
Title |
Zeolite \beta nanoparticles based bimodal structures : mechanism and tuning of the porosity and zeolitic properties |
Type |
A1 Journal article |
| |
Year |
2014 |
Publication |
Microporous and mesoporous materials: zeolites, clays, carbons and related materials |
Abbreviated Journal |
Micropor Mesopor Mat |
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| |
Volume |
185 |
Issue |
|
Pages |
204-212 |
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| |
Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Laboratory of adsorption and catalysis (LADCA) |
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| |
Abstract |
Despite great efforts in the research area of zeolite nanoparticles and their use in the synthesis of bimodal materials, still little is known about the impact of the synthesis conditions of the zeolite nanoparticles on its own characteristics, and on the properties and the formation mechanism of the final bimodal materials. A zeolite β nanoparticles solution is applied in a mesotemplate-free synthesis method, and the influence of the hydrothermal ageing temperature of the nanoparticles solution on both the zeolitic and porosity characteristics of the final bimodal material has been studied. Transmission electron microscopy in combination with 3-dimensional reconstructions obtained by electron tomography revealed that the zeolite β nanoparticles are connected by neck-like structures, thus creating a wormhole-like mesoporous material. Considering the zeolitic properties, a clear threshold is observed in the synthesis temperature series at 413 K. Below and at this threshold, the biporous materials show no apparent zeolitic characteristics, although these materials exhibit a more condensed and uniform SiOSi network in comparison to Al-MCF. Synthesis temperatures above the threshold lead to bimodal structures with defined zeolitic properties. Moreover, the dimensions of the nanoparticles are studied by TEM, revealing an increasing particle size with increasing temperature under the threshold of 413 K, which is in agreement with a sol-mechanism. This mechanism is disturbed after the threshold due to the start of the crystallisation process. |
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Address |
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Corporate Author |
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Thesis |
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| |
Publisher |
|
Place of Publication |
Amsterdam |
Editor |
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| |
Language |
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Wos |
000330930400025 |
Publication Date |
2013-11-21 |
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| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
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| |
ISSN |
1387-1811; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
3.615 |
Times cited |
10 |
Open Access |
OpenAccess |
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| |
Notes |
262348 Esmi |
Approved |
Most recent IF: 3.615; 2014 IF: 3.453 |
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| |
Call Number |
UA @ lucian @ c:irua:112501 |
Serial |
3930 |
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| Permanent link to this record |
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| |
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Author |
Bogomolova, A.; Hruby, M.; Panek, J.; Rabyk, M.; Turner, S.; Bals, S.; Steinhart, M.; Zhigunov, A.; Sedlacek, O.; Stepanek, P.; Filippov, S.K.; |
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| |
Title |
Small-angle X-ray scattering and light scattering study of hybrid nanoparticles composed of thermoresponsive triblock copolymer F127 and thermoresponsive statistical polyoxazolines with hydrophobic moieties |
Type |
A1 Journal article |
| |
Year |
2013 |
Publication |
Journal of applied crystallography |
Abbreviated Journal |
J Appl Crystallogr |
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| |
Volume |
46 |
Issue |
6 |
Pages |
1690-1698 |
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| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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| |
Abstract |
A combination of new thermoresponsive statistical polyoxazolines, poly[(2-butyl-2-oxazoline)-stat-(2-isopropyl-2-oxazoline)] [pBuOx-co-piPrOx], with different hydrophobic moieties and F127 surfactant as a template system for the creation of thermosensitive nanoparticles for radionuclide delivery has recently been tested [Pánek, Filippov, Hrubý, Rabyk, Bogomolova, Kučka Stěpánek (2012). Macromol. Rapid Commun.33, 16831689]. It was shown that the presence of the thermosensitive F127 triblock copolymer in solution reduces nanoparticle size and polydispersity. This article focuses on a determination of the internal structure and solution properties of the nanoparticles in the temperature range from 288 to 312 K. Here, it is demonstrated that below the cloud point temperature (CPT) the polyoxazolines and F127 form complexes that co-exist in solution with single F127 molecules and large aggregates. When the temperature is raised above the CPT, nanoparticles composed of polyoxazolines and F127 are predominant in solution. These nanoparticles could be described by a spherical shell model. It was found that the molar weight and hydrophobicity of the polymer do not influence the size of the outer radius and only slightly change the inner radius of the nanoparticles. At the same time, molar weight and hydrophobicity did affect the process of nanoparticle formation. In conclusion, poly(2-oxazoline) molecules are fully incorporated inside of F127 micelles, and this result is very promising for the successful application of such systems in radionuclide delivery. |
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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 |
Copenhagen |
Editor |
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| |
Language |
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Wos |
000327070000020 |
Publication Date |
2013-11-06 |
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| |
Series Editor |
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Series Title |
|
Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
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Edition |
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| |
ISSN |
0021-8898; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
|
Times cited |
18 |
Open Access |
|
|
| |
Notes |
262348 Esmi; Fwo; Iap-Pai |
Approved |
Most recent IF: NA |
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| |
Call Number |
UA @ lucian @ c:irua:112420 |
Serial |
3042 |
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| Permanent link to this record |
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| |
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Author |
Tian, H.; Verbeeck, J.; Brück, S.; Paul, M.; Kufer, D.; Sing, M.; Claessen, R.; Van Tendeloo, G. |
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| |
Title |
Interface-induced modulation of charge and polarization in thin film Fe3O4 |
Type |
A1 Journal article |
| |
Year |
2014 |
Publication |
Advanced materials |
Abbreviated Journal |
Adv Mater |
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| |
Volume |
26 |
Issue |
3 |
Pages |
461-465 |
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| |
Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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| |
Abstract |
Charge and polarization modulations in Fe3O4 are controlled by taking advantage of interfacial strain effects. The feasibility of oxidation state control by strain modification is demonstrated and it is shown that this approach offers a stable configuration at room temperature. Direct evidence of how a local strain field changes the atomic coordination and introduces atomic displacements leading to polarization of Fe ions is presented. |
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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 |
Weinheim |
Editor |
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| |
Language |
|
Wos |
000334289300011 |
Publication Date |
2013-10-25 |
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| |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
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| |
ISSN |
0935-9648; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
19.791 |
Times cited |
15 |
Open Access |
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| |
Notes |
Vortex; FWO; Countatoms; Hercules ECASJO_; |
Approved |
Most recent IF: 19.791; 2014 IF: 17.493 |
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| |
Call Number |
UA @ lucian @ c:irua:112419UA @ admin @ c:irua:112419 |
Serial |
1694 |
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| Permanent link to this record |
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| |
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Author |
Yusupov, M.; Neyts, E.C.; Simon, P.; Berdiyorov, G.; Snoeckx, R.; van Duin, A.C.T.; Bogaerts, A. |
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Title |
Reactive molecular dynamics simulations of oxygen species in a liquid water layer of interest for plasma medicine |
Type |
A1 Journal article |
| |
Year |
2014 |
Publication |
Journal of physics: D: applied physics |
Abbreviated Journal |
J Phys D Appl Phys |
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| |
Volume |
47 |
Issue |
2 |
Pages |
025205-25209 |
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| |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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| |
Abstract |
The application of atmospheric pressure plasmas in medicine is increasingly gaining attention in recent years, although very little is currently known about the plasma-induced processes occurring on the surface of living organisms. It is known that most bio-organisms, including bacteria, are coated by a liquid film surrounding them, and there might be many interactions between plasma species and the liquid layer before the plasma species reach the surface of the bio-organisms. Therefore, it is essential to study the behaviour of the reactive species in a liquid film, in order to determine whether these species can travel through this layer and reach the biomolecules, or whether new species are formed along the way. In this work, we investigate the interaction of reactive oxygen species (i.e. O, OH, HO2 and H2O2) with water, which is assumed as a simple model system for the liquid layer surrounding biomolecules. Our computational investigations show that OH, HO2 and H2O2 can travel deep into the liquid layer and are hence in principle able to reach the bio-organism. Furthermore, O, OH and HO2 radicals react with water molecules through hydrogen-abstraction reactions, whereas no H-abstraction reaction takes place in the case of H2O2. This study is important to gain insight into the fundamental operating mechanisms in plasma medicine, in general, and the interaction mechanisms of plasma species with a liquid film, in particular. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
London |
Editor |
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| |
Language |
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Wos |
000329108000013 |
Publication Date |
2013-12-13 |
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| |
Series Editor |
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Series Title |
|
Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
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| |
ISSN |
0022-3727;1361-6463; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
2.588 |
Times cited |
51 |
Open Access |
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| |
Notes |
|
Approved |
Most recent IF: 2.588; 2014 IF: 2.721 |
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| |
Call Number |
UA @ lucian @ c:irua:112286 |
Serial |
2823 |
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| Permanent link to this record |
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Author |
Retuerto, M.; Emge, T.; Hadermann, J.; Stephens, P.W.; Li, M.R.; Yin, Z.P.; Croft, M.; Ignatov, A.; Zhang, S.J.; Yuan, Z.; Jin, C.; Simonson, J.W.; Aronson, M.C.; Pan, A.; Basov, D.N.; Kotliar, G.; Greenblatt, M.; |
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| |
Title |
Synthesis and properties of charge-ordered thallium halide perovskites, CsTl0.5+Tl0.53+X3 (X = F or Cl) : theoretical precursors for superconductivity? |
Type |
A1 Journal article |
| |
Year |
2013 |
Publication |
Chemistry of materials |
Abbreviated Journal |
Chem Mater |
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| |
Volume |
25 |
Issue |
20 |
Pages |
4071-4079 |
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| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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| |
Abstract |
Recently, CsTlCl3 and CsTlF3 perovskites were theoretically predicted to be potential superconductors if they were optimally doped. The syntheses of these two compounds together with a complete characterization of the samples are reported. CsTlCl3 was obtained as orange crystals in two different polymorphs: a tetragonal phase (I4/m) and a cubic phase (Fm (3) over barm). CsTlF3 was formed as a light brown powder, and also as a double cubic perovskite (Fm (3) over barm). In all three CsTlX3 phases, Tl+ and Tl3+ were located in two different crystallographic positions that accommodate their different bond lengths. In CsTlCl3, some Tl vacancies were found in the Tl+ position. The charge ordering between Tl+ and Tl3+ was confirmed by X-ray absorption and Raman spectroscopy. The Raman spectroscopy of CsTlCl3 at high pressure (58 GPa) did not indicate any phase transition to a possible single Tl2+ state. However, the highly insulating material became less resistive with an increasing high pressure, while it underwent a change in its optical properties, from transparent to deeply opaque red, indicative of a decrease in the magnitude of the band gap. The theoretical design and experimental validation of the existence of CsTlF3 and CsTlCl3 cubic perovskites are the necessary first steps in confirming the theoretical prediction of superconductivity in these materials. |
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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 |
000326209200017 |
Publication Date |
2013-09-18 |
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| |
Series Editor |
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Series Title |
|
Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
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| |
ISSN |
0897-4756;1520-5002; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
9.466 |
Times cited |
28 |
Open Access |
|
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| |
Notes |
|
Approved |
Most recent IF: 9.466; 2013 IF: 8.535 |
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| |
Call Number |
UA @ lucian @ c:irua:112248 |
Serial |
3434 |
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| Permanent link to this record |
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| |
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Author |
Krstajie, P.M.; Peeters, F.M. |
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| |
Title |
Energy-momentum dispersion relation of plasmarons in bilayer graphene |
Type |
A1 Journal article |
| |
Year |
2013 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
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| |
Volume |
88 |
Issue |
16 |
Pages |
165420-165424 |
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| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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| |
Abstract |
The relation between the energy and momentum of plasmarons in bilayer graphene is investigated within the Overhauser approach, where the electron-plasmon interaction is described as a field theoretical problem. We find that the Dirac-like spectrum is shifted by Delta E(k) similar to 100 divided by 150 meV depending on the electron concentration n(e) and electron momentum. The shift increases with electron concentration as the energy of plasmons becomes larger. The dispersion of plasmarons is more pronounced than in the case of single layer graphene, which is explained by the fact that the energy dispersion of electrons is quadratic and not linear. We expect that these predictions can be verified using angle-resolved photoemission spectroscopy (ARPES). |
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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 |
|
Wos |
000326089400004 |
Publication Date |
2013-10-22 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
3.836 |
Times cited |
3 |
Open Access |
|
|
| |
Notes |
; This work was supported by the Flemish Science Foundation (FWO-Vl), the ESF-EuroGRAPHENE project CON-GRAN, and by the Serbian Ministry of Education and Science, within the Project No. TR 32008. ; |
Approved |
Most recent IF: 3.836; 2013 IF: 3.664 |
|
| |
Call Number |
UA @ lucian @ c:irua:112224 |
Serial |
1042 |
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| Permanent link to this record |
| |
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| |
|
Author |
Ghosh, S.; Tongay, S.; Hebard, A.F.; Sahin, H.; Peeters, F.M. |
|
| |
Title |
Ferromagnetism in stacked bilayers of Pd/C60 |
Type |
A1 Journal article |
| |
Year |
2014 |
Publication |
Journal of magnetism and magnetic materials |
Abbreviated Journal |
J Magn Magn Mater |
|
| |
Volume |
349 |
Issue |
|
Pages |
128-134 |
|
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
| |
Abstract |
We provide experimental evidence for the existence of ferromagnetism in bilayers of Pd/C-60 which is supported by theoretical calculations based on density functional theory (DFT). The observed ferromagnetism is surprising as C-60 and Pd films are both non-ferromagnetic in the non-interacting limit. Magnetization (M) versus applied field (H) data acquired at different temperatures (T) show magnetic hysteresis with typical coercive fields (H-c) on the order of 50 Oe. From the temperature-dependent magnetization M(T) we extract a Curie temperature (T-c >= 550 K) using Bloch-like power law extrapolations to high temperatures. Using DFT calculations we investigated all plausible scenarios for the interaction between the C-60 molecules and the Pd slabs, Pd single atoms and Pd clusters. DFT shows that while the C-60 molecules are nonmagnetic, Pd films have a degenerate ground state that subject to a weak perturbation, can become ferromagnetic. Calculations also show that the interaction of C-60 molecules with excess Pd atoms and with sharp edges of a Pd slab is the most likely configuration that render the system ferromagnetic Interestingly, the calculated charge transfer (0.016 e per surface Pd atom, 0.064 e per Pd for intimate contact region) between C-60 and Pd does not appear to play an important role. (C) 2013 Elsevier B.V. All rights reserved. |
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Address |
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Corporate Author |
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Thesis |
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| |
Publisher |
|
Place of Publication |
Amsterdam |
Editor |
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|
| |
Language |
|
Wos |
000326037600022 |
Publication Date |
2013-08-02 |
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| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0304-8853; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
2.63 |
Times cited |
8 |
Open Access |
|
|
| |
Notes |
; We thank Prof. Amlan Biswas and Daniel Grant for Atomic Force Microscopy measurements. This work is supported by the National Science Foundation (NSF) under Contract Number 1005301 (AFH). The authors also thank S. Ciraci for fruitful discussions. All the computational resources have been provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure). H. Sahin is also supported by a FWO Pegasus Marie Curie Long Fellowship during the study. ; |
Approved |
Most recent IF: 2.63; 2014 IF: 1.970 |
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| |
Call Number |
UA @ lucian @ c:irua:112214 |
Serial |
1184 |
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| Permanent link to this record |
| |
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| |
|
Author |
Seyed-Talebi, S.M.; Beheshtian, J.; Neek-Amal, M. |
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| |
Title |
Doping effect on the adsorption of NH3 molecule onto graphene quantum dot : from the physisorption to the chemisorption |
Type |
A1 Journal article |
| |
Year |
2013 |
Publication |
Journal of applied physics |
Abbreviated Journal |
J Appl Phys |
|
| |
Volume |
114 |
Issue |
12 |
Pages |
124307-7 |
|
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
| |
Abstract |
The adsorption of ammonia molecule onto a graphene hexagonal flake, aluminum (Al) and boron (B) doped graphene flakes (graphene quantum dots, GQDs) are investigated using density functional theory. We found that NH3 molecule is absorbed to the hollow site through the physisorption mechanism without altering the electronic properties of GQD. However, the adsorption energy of NH3 molecule onto the Al- and B-doped GQDs increases with respect GQD resulting chemisorption. The adsorption of NH3 onto the Al-doped and B-doped GQDs makes graphene locally buckled, i.e., B-doped and Al-doped GQDs are not planar. The adsorption mechanism onto a GQD is different than that of graphene. This study reveals important features of the edge passivation and doping effects of the adsorption mechanism of external molecules onto the graphene quantum dots. (C) 2013 AIP Publishing LLC. |
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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 |
|
Wos |
000325391100057 |
Publication Date |
2013-09-26 |
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| |
Series Editor |
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Series Title |
|
Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
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| |
ISSN |
0021-8979; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
2.068 |
Times cited |
10 |
Open Access |
|
|
| |
Notes |
; This work was supported by the EU-Marie Curie IIF Fellowship/299855 for M.-N.A. ; |
Approved |
Most recent IF: 2.068; 2013 IF: 2.185 |
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| |
Call Number |
UA @ lucian @ c:irua:112201 |
Serial |
750 |
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| Permanent link to this record |
| |
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| |
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Author |
Caen, J.; Schalm, O.; van der Snickt, G.; van der Linden, V.; Frederickx, P.; Schryvers, D.; Janssens, K.; Cornelis, E.; van Dyck, D.; Schreiner, M. |
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| |
Title |
Enamels in stained-glass windows : preparation, chemical composition, microstructure and causes of deterioration |
Type |
P3 Proceeding |
| |
Year |
2005 |
Publication |
|
Abbreviated Journal |
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| |
Volume |
|
Issue |
|
Pages |
121-126 |
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| |
Keywords |
P3 Proceeding; Art; Electron microscopy for materials research (EMAT); AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Vision lab |
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| |
Abstract |
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Address |
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Corporate Author |
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Thesis |
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| |
Publisher |
Glassac |
Place of Publication |
Lisbon |
Editor |
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| |
Language |
|
Wos |
|
Publication Date |
0000-00-00 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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| |
Series Volume |
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Series Issue |
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Edition |
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| |
ISSN |
|
ISBN |
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Additional Links |
UA library record |
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| |
Impact Factor |
|
Times cited |
|
Open Access |
|
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| |
Notes |
|
Approved |
Most recent IF: NA |
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| |
Call Number |
UA @ lucian @ c:irua:112025 |
Serial |
1036 |
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| Permanent link to this record |
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| |
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Author |
Wang, J.T.W.; Cabana, L.; Bourgognon, M.; Kafa, H.; Protti, A.; Venner, K.; Shah, A.M.; Sosabowski, J.K.; Mather, S.J.; Roig, A.; Ke, X.; Van Tendeloo, G.; de Rosales, R.T.M.; Tobias, G.; Al-Jamal, K.T. |
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| |
Title |
Magnetically decorated multiwalled carbon nanotubes as dual MRI and SPECT contrast agents |
Type |
A1 Journal article |
| |
Year |
2014 |
Publication |
Advanced functional materials |
Abbreviated Journal |
Adv Funct Mater |
|
| |
Volume |
24 |
Issue |
13 |
Pages |
1880-1894 |
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| |
Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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| |
Abstract |
Carbon nanotubes (CNTs) are one of the most promising nanomaterials to be used in biomedicine for drug/gene delivery as well as biomedical imaging. This study develops radio-labeled, iron oxide-decorated multiwalled CNTs (MWNTs) as dual magnetic resonance (MR) and single photon emission computed tomography (SPECT) contrast agents. Hybrids containing different amounts of iron oxide are synthesized by in situ generation. Physicochemical characterisations reveal the presence of superparamagnetic iron oxide nanoparticles (SPION) granted the magnetic properties of the hybrids. Further comprehensive examinations including high resolution transmission electron microscopy (HRTEM), fast Fourier transform simulations, X-ray diffraction, and X-ray photoelectron spectroscopy assure the conformation of prepared SPION as γ-Fe2O3. High r2 relaxivities are obtained in both phantom and in vivo MRI compared to the clinically approved SPION Endorem. The hybrids are successfully radio labeled with technetium-99m through a functionalized bisphosphonate and enable SPECT/CT imaging and γ-scintigraphy to quantitatively analyze the biodistribution in mice. No abnormality is found by histological examination and the presence of SPION and MWNT are identified by Perls stain and Neutral Red stain, respectively. TEM images of liver and spleen tissues show the co-localization of SPION and MWNTs within the same intracellular vesicles, indicating the in vivo stability of the hybrids after intravenous injection. The results demonstrate the capability of the present SPIONMWNT hybrids as dual MRI and SPECT contrast agents for in vivo use. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
|
Place of Publication |
Weinheim |
Editor |
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| |
Language |
|
Wos |
000333674100007 |
Publication Date |
2013-11-19 |
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| |
Series Editor |
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Series Title |
|
Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
1616-301X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
12.124 |
Times cited |
50 |
Open Access |
|
|
| |
Notes |
Countatoms; Fp7; Esteem2; esteem2_ta |
Approved |
Most recent IF: 12.124; 2014 IF: 11.805 |
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| |
Call Number |
UA @ lucian @ c:irua:111589 |
Serial |
1891 |
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| Permanent link to this record |
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| |
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Author |
Van 't dack, L.; Beusen, J.-M.; Claesson, T.; Vandelannoote, R.; van Grieken, R.; Gijbels, R. |
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| |
Title |
Experimental weathering studies of igneous rocks (alkali-granite, granodiorite, gabbro and granite) and sedimentary gneiss under hydrothermal conditions |
Type |
P3 Proceeding |
| |
Year |
1985 |
Publication |
|
Abbreviated Journal |
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| |
Volume |
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Issue |
|
Pages |
363-368 |
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| |
Keywords |
P3 Proceeding; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT); AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Abstract |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
S.l. |
Editor |
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Language |
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Wos |
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Publication Date |
0000-00-00 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
|
ISBN |
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Additional Links |
UA library record |
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| |
Impact Factor |
|
Times cited |
|
Open Access |
|
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| |
Notes |
|
Approved |
|
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| |
Call Number |
UA @ lucian @ c:irua:111512 |
Serial |
1146 |
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| Permanent link to this record |
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| |
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Author |
Beusen, J.-M.; Van 't dack, L.; Gijbels, R. |
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| |
Title |
Interaction between rock-forming minerals and fluids under hydrothermal conditions : experiments with emphasis on the chemical composition of the minerals surface and on the trace element content of the aqueous phase |
Type |
P3 Proceeding |
| |
Year |
1985 |
Publication |
|
Abbreviated Journal |
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| |
Volume |
|
Issue |
|
Pages |
310-317 |
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| |
Keywords |
P3 Proceeding; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
Reidel |
Place of Publication |
Dordrecht |
Editor |
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Language |
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Wos |
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Publication Date |
0000-00-00 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
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Edition |
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| |
ISSN |
|
ISBN |
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Additional Links |
UA library record |
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| |
Impact Factor |
|
Times cited |
|
Open Access |
|
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| |
Notes |
|
Approved |
no |
|
| |
Call Number |
UA @ lucian @ c:irua:111510 |
Serial |
1682 |
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| Permanent link to this record |
| |
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| |
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Author |
Yang, Z.; Geise, H.J.; Mehbod, M.; Debrue, G.; Visser, J.W.; Sonneveld, E.J.; Van 't dack, L.; Gijbels, R. |
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| |
Title |
Conductivity and electron density of undoped model compounds of poly(phenylene vinylene) |
Type |
A1 Journal article |
| |
Year |
1990 |
Publication |
Synthetic metals |
Abbreviated Journal |
Synthetic Met |
|
| |
Volume |
39 |
Issue |
2 |
Pages |
137-151 |
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| |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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| |
Abstract |
Fourteen derivatives of trans,trans-1,4-bis[2-phenylethenyl]benzene were synthesized by Wittig reactions as model compounds of poly(paraphenylene vinylene). Structure, configurational homogeneity and absence of ionic impurities were controlled by mass spectrometry, infrared and neutron activation analysis, respectively. Crystallographic unit cell parameters were obtained from X-ray powder patterns and measurements of electrical conductivities were performed on undoped samples. The data of four more compounds containing one or more thiophene rings instead of phenyl rings were added from the 3iterature. If NO2 and Cl groups are excluded from the electron count a good linear correlation is found between the logarithm of the conductivity and the non-σ electron density (View the MathML source). The position of the substituents, on the central or on the terminal ring, also plays a role in as much as it affects the molecular volume of the compound but not the non-σ electron density. The correlation between the logarithm of the conductivity and the absorption coefficient of the longest wavelength of UV absorption identifies the π electrons in the chromophore as the principal charge carriers. |
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Address |
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Corporate Author |
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Thesis |
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| |
Publisher |
|
Place of Publication |
Lausanne |
Editor |
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| |
Language |
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Wos |
A1990EV12900001 |
Publication Date |
2003-06-21 |
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| |
Series Editor |
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Series Title |
|
Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
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| |
ISSN |
0379-6779; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
2.252 |
Times cited |
25 |
Open Access |
|
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| |
Notes |
|
Approved |
no |
|
| |
Call Number |
UA @ lucian @ c:irua:111483 |
Serial |
481 |
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| Permanent link to this record |
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| |
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Author |
Bosch, B.; Leleu, M.; Oustrière, P.; Sarcia, C.; Sureau, J.F.; Blommaert, W.; Gijbels, R.; Sadurski, A.; Vandelannoote, R.; Van Grieken, R.; Van 'T Dack, L.; |
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| |
Title |
Hydrogeochemistry in the zinclead mining district of Les Malines (Gard, France) |
Type |
A1 Journal article |
| |
Year |
1986 |
Publication |
Chemical geology |
Abbreviated Journal |
Chem Geol |
|
| |
Volume |
55 |
Issue |
1/2 |
Pages |
31-44 |
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| |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT); AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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| |
Abstract |
Sensitive multi-element analysis techniques together with major-element and isotopic analyses were applied to spring, mine and surface waters in the vicinity of an important known zinclead deposit in a carbonate environment, in the Les Malines area (Gard, France). Both the dissolved and suspended phases were investigated, and concretions and sediments were also considered in some cases. This methodological test shows that the ore body leaves various clear fingerprints, such as the Zn, As, Sb, Pb and U levels in the dissolved phase, the sulfate increment and the δ 34S. Some of the elements in solution are controlled by slightly soluble compounds, e.g. Zn by smithsonite and hydrozincite, Ba by barite, and Pb by hydrocerussite. Mapping the saturation indices for these elements appears useful for displaying the hydrogeochemical anomaly. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
|
Place of Publication |
Amsterdam |
Editor |
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| |
Language |
|
Wos |
A1986C743300003 |
Publication Date |
2003-08-06 |
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| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0009-2541; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
3.524 |
Times cited |
3 |
Open Access |
|
|
| |
Notes |
|
Approved |
CRYSTALLOGRAPHY 19/26 Q3 # PHYSICS, CONDENSED MATTER 53/67 Q4 # |
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| |
Call Number |
UA @ lucian @ c:irua:111481 |
Serial |
1537 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Vandelannoote, R.; Blommaert, W.; Sadurski, A.; Van 'T Dack, L.; Gijbels, R.; Van Grieken, R.; Bosch, B.; Leleu, M.; Rochon, J.; Sarcia, C.; Sureau, J.F.; |
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| |
Title |
Trace-elemental anomalies in surface water near a small lead-zinc mineralization at Menez-Albot (Brittany, France) |
Type |
A1 Journal article |
| |
Year |
1984 |
Publication |
Journal of geochemical exploration |
Abbreviated Journal |
J Geochem Explor |
|
| |
Volume |
20 |
Issue |
1 |
Pages |
33-46 |
|
| |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT); AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
|
| |
Abstract |
Sensitive multi-element analysis techniques were applied to water samples collected in the vicinity of a small Zn-Pb-Cu sulfide mineralization in the region of Menez-Albot (Finistère, France). The variation of the trace-element content along a local stream shows the presence of the mineralization, mainly through a simultaneous positive anomaly in solution for a group of about 10 elements (e.g. Ni, Cu, Zn, As, Sb) which are connected with this type of mineralization. The anomaly decreases steeply due to the influx of swamp water rich in Fe, Mn and organic matter. The precipitation barrier is reflected in the stream sediment composition. Contamination from fertilizers was observed in some samples. |
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| |
Address |
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Corporate Author |
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Thesis |
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| |
Publisher |
|
Place of Publication |
Amsterdam |
Editor |
|
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| |
Language |
|
Wos |
A1984SF42900004 |
Publication Date |
2003-08-07 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0375-6742; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
2.747 |
Times cited |
4 |
Open Access |
|
|
| |
Notes |
|
Approved |
no |
|
| |
Call Number |
UA @ lucian @ c:irua:111449 |
Serial |
3695 |
|
| Permanent link to this record |
| |
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| |
|
Author |
Zhang, J.; Ke, X.; Gou, G.; Seidel, J.; Xiang, B.; Yu, P.; Liang, W.I.; Minor, A.M.; Chu, Y.h.; Van Tendeloo, G.; Ren, X.; Ramesh, R.; |
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| |
Title |
A nanoscale shape memory oxide |
Type |
A1 Journal article |
| |
Year |
2013 |
Publication |
Nature communications |
Abbreviated Journal |
Nat Commun |
|
| |
Volume |
4 |
Issue |
|
Pages |
2768-8 |
|
| |
Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
|
| |
Abstract |
Stimulus-responsive shape-memory materials have attracted tremendous research interests recently, with much effort focused on improving their mechanical actuation. Driven by the needs of nanoelectromechanical devices, materials with large mechanical strain, particularly at nanoscale level, are therefore desired. Here we report on the discovery of a large shape-memory effect in bismuth ferrite at the nanoscale. A maximum strain of up to ~14% and a large volumetric work density of ~600±90 J cm−3 can be achieved in association with a martensitic-like phase transformation. With a single step, control of the phase transformation by thermal activation or electric field has been reversibly achieved without the assistance of external recovery stress. Although aspects such as hysteresis, microcracking and so on have to be taken into consideration for real devices, the large shape-memory effect in this oxide surpasses most alloys and, therefore, demonstrates itself as an extraordinary material for potential use in state-of-art nanosystems. |
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| |
Address |
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| |
Corporate Author |
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Thesis |
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| |
Publisher |
|
Place of Publication |
|
Editor |
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| |
Language |
|
Wos |
000328023900006 |
Publication Date |
2013-11-19 |
|
| |
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 |
67 |
Open Access |
|
|
| |
Notes |
Countatoms |
Approved |
Most recent IF: 12.124; 2013 IF: 10.742 |
|
| |
Call Number |
UA @ lucian @ c:irua:111431 |
Serial |
2271 |
|
| Permanent link to this record |
