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Author |
Govaerts, K.; Saniz, R.; Partoens, B.; Lamoen, D. |
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Title |
van der Waals bonding and the quasiparticle band structure of SnO from first principles |
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 |
87 |
Issue |
23 |
Pages |
235210-235217 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT) |
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Abstract |
In this work we have investigated the structural and electronic properties of SnO, which is built up from layers kept together by van der Waals (vdW) forces. The combination of a vdW functional within density functional theory (DFT) and quasiparticle band structure calculations within the GW approximation provides accurate values for the lattice parameters, atomic positions, and the electronic band structure including the fundamental (indirect) and the optical (direct) band gap without the need of experimental or empirical input. A systematic comparison is made between different levels of self-consistency within the GW approach {following the scheme of Shishkin et al. [Phys. Rev. B 75, 235102 (2007)]} and the results are compared with DFT and hybrid functional results. Furthermore, the effect of the vdW-corrected functional as a starting point for the GW calculation of the band gap has been investigated. Finally, we studied the effect of the vdW functional on the electron charge density. |
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Wos |
000321061000003 |
Publication Date |
2013-07-01 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
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 |
50 |
Open Access |
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Notes |
IWT; FWO; Hercules |
Approved |
Most recent IF: 3.836; 2013 IF: 3.664 |
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Call Number |
UA @ lucian @ c:irua:109596 |
Serial |
3835 |
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Permanent link to this record |
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Author |
Zhang, L.-F.; Covaci, L.; Milošević, M.V.; Berdiyorov, G.R.; Peeters, F.M. |
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Title |
Vortex states in nanoscale superconducting squares : the influence of quantum confinement |
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 |
14 |
Pages |
144501 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Bogoliubov-de Gennes theory is used to investigate the effect of the size of a superconducting square on the vortex states in the quantum confinement regime. When the superconducting coherence length is comparable to the Fermi wavelength, the shape resonances of the superconducting order parameter have strong influence on the vortex configuration. Several unconventional vortex states, including asymmetric ones, giant-multivortex combinations, and states comprising giant antivortices, were found as ground states and their stability was found to be very sensitive on the value of k(F)xi(0), the size of the sample W, and the magnetic flux Phi. By increasing the temperature and/or enlarging the size of the sample, quantum confinement is suppressed and the conventional mesoscopic vortex states as predicted by the Ginzburg-Laudau (GL) theory are recovered. However, contrary to the GL results we found that the states containing symmetry-induced vortex-antivortex pairs are stable over the whole temperature range. It turns out that the inhomogeneous order parameter induced by quantum confinement favors vortex-antivortex molecules, as well as giant vortices with a rich structure in the vortex core-unattainable in the GL domain. |
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Wos |
000325498300004 |
Publication Date |
2013-10-09 |
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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 |
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 |
19 |
Open Access |
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Notes |
; This work was supported by the Flemish Science Foundation (FWO-Vlaanderen) and Methusalem Funding of the Flemish government. ; |
Approved |
Most recent IF: 3.836; 2013 IF: 3.664 |
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Call Number |
UA @ lucian @ c:irua:111145 |
Serial |
3891 |
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Permanent link to this record |
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Author |
Tavkhelidze, I.; Cassisa, C.; Gielis, J.; Ricci, P.E. |
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Title |
About “bulky” links, generated by generalized Möbius Listing's bodies GML3n |
Type |
A1 Journal article |
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Year |
2013 |
Publication |
Matematica e applicazioni : atti della Accademia nazionale dei Lincei |
Abbreviated Journal |
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Volume |
24 |
Issue |
1 |
Pages |
11-38 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
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Abstract |
In the present paper we consider the “bulky knots'' and ”bulky links'', which appear after cutting a Generalized Möbius Listing's GMLn3 body (whose radial cross section is a plane 3-symmetric figure with three vertices) along different Generalized Möbius Listing's surfaces GMLn2 situated in it. This article is aimed to investigate the number and geometric structure of the independent objects appearing after such a cutting process of GMLn3 bodies. In most cases we are able to count the indices of the resulting mathematical objects according to the known tabulation for Knots and Links of small complexity. |
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Wos |
000316567700002 |
Publication Date |
2013-03-13 |
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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 |
1120-6357 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
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Times cited |
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Open Access |
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Notes |
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Approved |
no |
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Call Number |
UA @ admin @ c:irua:107174 |
Serial |
7405 |
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Permanent link to this record |
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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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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 |
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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Permanent link to this record |
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Author |
Hervieu, M.; Damay, F.; Poienar, M.; Elkaim, E.; Rouquette, J.; Abakumov, A.M.; Van Tendeloo, G.; Maignan, A.; Martin, C. |
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Title |
Nanostructures in LuFe2O4+\delta |
Type |
A1 Journal article |
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Year |
2013 |
Publication |
Solid state sciences |
Abbreviated Journal |
Solid State Sci |
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Volume |
23 |
Issue |
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Pages |
26-34 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
A LuFe2O4+delta sample, previously characterized by X-ray synchrotron and neutron diffraction, has been studied by electron microscopy techniques, in order to get a precise description of its micro- and nanostructures at room temperature. The X-ray synchrotron data vs. temperature show that the monoclinic distortion is associated with the charge ordering; this distortion results in elongated twinning domains, which enhance the complexity of the microstructural state at room temperature. The structural modulation associated with oxygen excess is observed in large domains inside a non modulated matrix, in contrast with the modulations associated with the charge ordering of the Fe2+ and Fe3+ species, which are mostly short-range. The investigation of the nature and density of defects in the sample shows that they are nano-scaled, preserving the regularity of the layer stacking mode, and limited to the formation of one- or two-units large stacking faults, associated with gliding mechanisms. Based on these observations, an original description of the LuFe2O4 ferrite structure, through puckered [LuO4](infinity) sandwiching [Fe-2](infinity) layers, is proposed. (C) 2013 Elsevier Masson SAS. All rights reserved. |
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Place of Publication |
Amsterdam |
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Wos |
000324156200005 |
Publication Date |
2013-06-13 |
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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 |
1293-2558; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
1.811 |
Times cited |
7 |
Open Access |
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Notes |
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Approved |
Most recent IF: 1.811; 2013 IF: 1.679 |
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Call Number |
UA @ lucian @ c:irua:111196 |
Serial |
2276 |
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Permanent link to this record |
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Author |
Bernardi, A.; Becherini, F.; Verità, M.; Godoi, R.H.M.; Kontozova-Deutsch, V.; Van Grieken, R.; et al. |
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Title |
Conservation of stained glass windows with protective glazing : main results from the European VIDRIO research programme |
Type |
A1 Journal article |
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Year |
2013 |
Publication |
Journal of cultural heritage |
Abbreviated Journal |
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Volume |
14 |
Issue |
6 |
Pages |
527-536 |
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Keywords |
A1 Journal article; Art; History; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Abstract |
The methodology of protecting the European stained glass windows against environmental risk (e.g. meteorological factors, air pollution, microorganisms) by means of an external glazing is not new. In spite of many scientific studies carried out in the last 20 years, some questions were still up for discussion. The European VIDRIO (20022005) project gave an answer to these questions. The research carried out by the different project partners established a new multidisciplinary approach aimed at evaluating the efficiency of the protective glazing systems and their effects on stained glass windows conservation, and finally at assessing the most appropriate strategy to preserve stained glass windows. Scientific results showed that the so-called isothermal glazing (i.e. ventilation by the air coming from the inside of the building) protected efficiently the ancient stained glass window from environmental attack (i.e. rain, pollutants, condensation, thermal shocks) with very limited secondary effects. The scientific research highlighted that its efficiency was strongly related to the technical design of the protective system. In particular, the ventilation and the size of the interspace had to be carefully considered. The research developed within the VIDRIO project was turned into general recommendations to the owners and practitioners on the best practice for the stained glass windows future conservation. |
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Wos |
000326937800009 |
Publication Date |
2013-01-03 |
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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 |
1296-2074 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
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Times cited |
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Open Access |
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Notes |
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Approved |
no |
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Call Number |
UA @ admin @ c:irua:111817 |
Serial |
7726 |
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Permanent link to this record |
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Author |
Mmari, A.G.; Potgieter-Vermaak, S.S.; Bencs, L.; McCrindle, R.I.; Van Grieken, R. |
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Title |
Elemental and ionic components of atmospheric aerosols and associated gaseous pollutants in and near Dar es Salaam, Tanzania |
Type |
A1 Journal article |
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Year |
2013 |
Publication |
Atmospheric environment : an international journal |
Abbreviated Journal |
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Volume |
77 |
Issue |
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Pages |
51-61 |
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Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Abstract |
Elemental and water-soluble ionic compounds (WSICs) of atmospheric aerosols (total suspended particulate TSP) and some gaseous pollutants (SO2, NO2 and O3) from a coastal, semi-urban and rural site in and near Dar es Salaam, Tanzania were investigated during dry and wet seasons of January 2005November 2007. Na+, Ca2+, SO42−, NO3− and Cl− made up the dominant fraction of WSICs during the dry season with average concentrations ranging from non-detectable (n.d.)5.4, 0.262.6, 0.7414.7, 0.41.5 and 1.13.4 μg m−3, respectively, while in the wet season, from n.d. up to 1.7, 1.2, 4.4, 2.1 and 3.0 μg m−3, respectively. The total air concentrations of the detected elements (Al, Si, S, Cl, K, Ca, Fe and Zn) showed seasonal and site-specific variation in the range of 7.526.6 with an average of 14.5 μg m−3. Most of the air concentrations of pollutants were observed to decrease with increasing distance from the coastal site, which is under urban and industrial pollutant emissions. Sulphur and nitrogen oxidation ratios during the dry season ranged from 0.08 to 0.91 and 0.013 to 0.049, respectively, while they were between 0.090.65 and 0.0020.095, respectively, in the wet season. These values indicate the photochemical oxidation of SO2 and a high extent of NO3−formation in the atmosphere. Neutralization ratios revealed the presence of acidic SO42− and NO3− aerosols. Principal component analysis identified sea spray, local combustion, vehicular traffic, biomass burning and re-suspended road dust as dominant sources of aerosols at the studied coastal and semi-urban sites. However, at the rural site, besides sea spray, crustal sources, soil dust re-suspension and long-range transport are the possible origins of suspended particulates. |
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Wos |
000324848500006 |
Publication Date |
2013-05-01 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1352-2310 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
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Times cited |
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Open Access |
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Notes |
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Approved |
no |
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Call Number |
UA @ admin @ c:irua:108096 |
Serial |
7882 |
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Permanent link to this record |
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Author |
Bals, S.; Van Aert, S.; Van Tendeloo, G. |
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Title |
High resolution electron tomography |
Type |
A1 Journal article |
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Year |
2013 |
Publication |
Current opinion in solid state and materials science |
Abbreviated Journal |
Curr Opin Solid St M |
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Volume |
17 |
Issue |
3 |
Pages |
107-114 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
Reaching atomic resolution in 3D has been the ultimate goal in the field of electron tomography for many years. Significant progress, both on the theoretical as well as the experimental side has recently resulted in several exciting examples demonstrating the ability to visualise atoms in 3D. In this paper, we will review the different steps that have pushed the resolution in 3D to the atomic level. A broad range of methodologies and practical examples together with their impact on materials science will be discussed. Finally, we will provide an outlook and will describe future challenges in the field of high resolution electron tomography. |
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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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Wos |
000323869800003 |
Publication Date |
2013-03-30 |
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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 |
1359-0286; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
6.938 |
Times cited |
24 |
Open Access |
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Notes |
Fwo; 312483 Esteem; Countatoms; |
Approved |
Most recent IF: 6.938; 2013 IF: 7.167 |
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Call Number |
UA @ lucian @ c:irua:109454 |
Serial |
1457 |
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Permanent link to this record |
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Author |
Tzedaki, G.; M.; Turner, S.; Godet, S.; De Graeve, I.; Kernig, B.; Hasenclever, J.; Terryn, H. |
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Title |
Structure and formation mechanism of rolled-in oxide areas on aluminum lithographic printing sheets |
Type |
A1 Journal article |
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Year |
2013 |
Publication |
Scripta materialia |
Abbreviated Journal |
Scripta Mater |
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Volume |
68 |
Issue |
5 |
Pages |
233-236 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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Abstract |
The subsurface area introduced during rolling on the 1100 aluminum alloy series alters its surface properties, which makes it more susceptible to corrosion. A combination of different transmission electron microscopy techniques is employed to observe the orientation of small grain structures and the distribution elements in the subsurface layer. This approach provided valuable insight into the formation mechanism of the layer and the phenomena taking place during rolling. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Oxford |
Editor |
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Language |
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Wos |
000314012000003 |
Publication Date |
2012-10-23 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1359-6462; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.747 |
Times cited |
6 |
Open Access |
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Notes |
Fwo |
Approved |
Most recent IF: 3.747; 2013 IF: 2.968 |
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Call Number |
UA @ lucian @ c:irua:105288 |
Serial |
3277 |
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Permanent link to this record |
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Author |
Kalidindi, S.B.; Wiktor, C.; Ramakrishnan, A.; Weßing, J.; Schneemann, A.; Van Tendeloo, G.; Fischer, R.A. |
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Title |
Lewis base mediated efficient synthesis and solvation-like host-guest chemistry of covalent organic framework-1 |
Type |
A1 Journal article |
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Year |
2013 |
Publication |
Chemical communications |
Abbreviated Journal |
Chem Commun |
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Volume |
49 |
Issue |
5 |
Pages |
463-465 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
N-Lewis base mediated room temperature synthesis of covalent organic frameworks (COFs) starting from a solution of building blocks instead of partially soluble building blocks was developed. This protocol shifts COF synthetic chemistry from sealed tubes to open beakers. Non-conventional inclusion compounds of COF-1 were obtained by vapor phase infiltration of ferrocene and azobenzene, and solvation like effects were established. |
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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 |
000312193100007 |
Publication Date |
2012-11-06 |
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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 |
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 |
17 |
Open Access |
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Notes |
262348 Esmi |
Approved |
Most recent IF: 6.319; 2013 IF: 6.718 |
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Call Number |
UA @ lucian @ c:irua:105953 |
Serial |
1815 |
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Permanent link to this record |
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Author |
Park, K.; De Beule, C.; Partoens, B. |
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Title |
The ageing effect in topological insulators : evolution of the surface electronic structure of Bi2Se3 upon K adsorption |
Type |
A1 Journal article |
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Year |
2013 |
Publication |
New journal of physics |
Abbreviated Journal |
New J Phys |
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Volume |
15 |
Issue |
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Pages |
113031-16 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Topological insulators (TIs) have attracted a lot of interest in recent years due to their topologically protected surface states, as well as exotic proximity-induced phenomena and device applications for TI heterostructures. Since the first experimental studies of TIs, angle-resolved photoemission spectra (ARPES) showed that the electronic structure of the topological surface states significantly changes as a function of time after cleavage. The origin and underlying mechanism of this ageing effect are still under debate, despite its importance. Here we investigate the evolution of the surface Dirac cone for Bi2Se3 films upon asymmetric potassium (K) adsorption, using density-functional theory and a tight-binding model. We find that the K adatoms induce short-ranged downward band bending within 2-3 nm from the surface, due to charge transfer from the adatoms to the TI. These findings are in contrast to earlier proposals in the literature, that propose a long-ranged downward band bending up to 15 nm from the surface. Furthermore, as the charge transfer increases, we find that a new Dirac cone, localized slightly deeper into the TI than the original one, appears at the K-adsorbed surface, originating from strong Rashba-split conduction-band states. Our results suggest possible reinterpretations of experiments because the new Dirac cone might have been observed in ARPES measurements instead of the original one that appears immediately after cleavage. Our findings are consistent with ARPES data and provide insight into building TI-heterostructure devices by varying the band-bending potential or film thickness. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Bristol |
Editor |
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Language |
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Wos |
000326876100006 |
Publication Date |
2013-11-13 |
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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 |
1367-2630; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.786 |
Times cited |
45 |
Open Access |
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Notes |
; KP was supported by National Science Foundation grant numbers DMR-0804665 and DMR-1206354 and SDSC Trestles under DMR060009N. CDB was supported by the Research Foundation Flanders (FWO). ; |
Approved |
Most recent IF: 3.786; 2013 IF: 3.671 |
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Call Number |
UA @ lucian @ c:irua:112707 |
Serial |
84 |
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Permanent link to this record |
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Author |
Villegas, C.E.P.; Tavares, M.R.S.; Hai, G.-Q.; Peeters, F.M. |
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Title |
Sorting the modes contributing to guidance in strain-induced graphene waveguides |
Type |
A1 Journal article |
|
Year |
2013 |
Publication |
New journal of physics |
Abbreviated Journal |
New J Phys |
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Volume |
15 |
Issue |
|
Pages |
023015-11 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
We propose a simple way of probing the number of modes contributing to the channeling in graphene waveguides which are formed by a gauge potential produced by mechanical strain. The energy mode structure for both homogeneous and non-homogeneous strain regimes is carefully studied using the continuum description of the Dirac equation. We found that high strain values privilege negative (instead of positive) group velocities throughout the guidance, sorting the types of modes flowing through it. We also show how the effect of a substrate-induced gap competes against the strain. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Bristol |
Editor |
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Language |
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Wos |
000314868000002 |
Publication Date |
2013-02-08 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1367-2630; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.786 |
Times cited |
7 |
Open Access |
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Notes |
; This work was supported by FAPESP, CNPq and the Flemish Science Foundation (FWO-VI). ; |
Approved |
Most recent IF: 3.786; 2013 IF: 3.671 |
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Call Number |
UA @ lucian @ c:irua:107667 |
Serial |
3056 |
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Permanent link to this record |
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Author |
Van Eynde, E.; Tytgat, T.; Smits, M.; Verbruggen, S.; Hauchecorne, B.; Blust, R.; Lenaerts, S. |
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Title |
Diatom silica-titania materials for photocatalytic air purification |
Type |
A2 Journal article |
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Year |
2013 |
Publication |
Communications in agricultural and applied biological sciences |
Abbreviated Journal |
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Volume |
1 |
Issue |
1 |
Pages |
141-147 |
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Keywords |
A2 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
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Abstract |
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Place of Publication |
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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 |
1379-1176 |
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 |
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Approved |
Most recent IF: NA |
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Call Number |
UA @ admin @ c:irua:105334 |
Serial |
5943 |
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Permanent link to this record |
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Author |
Van Wesenbeeck, K.; Hauchecorne, B.; Lenaerts, S. |
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Title |
Study of a TiO2 photocatalytic coating for use in plasma catalysis |
Type |
A2 Journal article |
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Year |
2013 |
Publication |
Communications in agricultural and applied biological sciences |
Abbreviated Journal |
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Volume |
78 |
Issue |
1 |
Pages |
227-233 |
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Keywords |
A2 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
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Abstract |
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Corporate Author |
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Place of Publication |
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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 |
1379-1176 |
ISBN |
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Additional Links |
UA library record |
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Impact Factor |
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Times cited |
|
Open Access |
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Notes |
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Approved |
Most recent IF: NA |
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Call Number |
UA @ admin @ c:irua:105388 |
Serial |
5991 |
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Permanent link to this record |
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Author |
Smits, M.; Chan, C. kit; Tytgat, T.; Craeye, B.; Costarramone, N.; Lacombe, S.; Lenaerts, S. |
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Title |
Photocatalytic degradation of soot deposition : self-cleaning effect on titanium dioxide coated cementitious materials |
Type |
A1 Journal article |
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Year |
2013 |
Publication |
Chemical engineering journal |
Abbreviated Journal |
Chem Eng J |
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Volume |
222 |
Issue |
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Pages |
411-418 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
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Abstract |
Diesel soot emissions deteriorate the appearance of architectural building materials by soot fouling. This soot deposition devalue the aesthetic value of the building. A solution to counteract this problem is applying titanium dioxide on building materials. TiO2 can provide air-purifying and self-cleaning properties due to its photocatalytic activity. In literature, photocatalytic soot oxidation is observed on glass or silicon substrates. However, degradation of soot by photocatalysis was not yet investigated on cementitious samples (mortar, concrete) although it is one of the most frequently used building materials. In this study, photocatalytic soot oxidation by means of TiO2 coated cementitious samples is addressed. The soot removal capacity of four types of TiO2 layers, coated on mortar samples, is evaluated by means of two detection methods. The first method is based on colorimetric measurements, while the second method uses digital image processing to calculate the area of soot coverage. The experimental data revealed that cementitious materials coated with commercially available TiO2 exhibited self-cleaning properties as it was found that all coated samples were able to remove soot. The P25 coating gave the best soot degradation performance, while the Eoxolit product showed the slowest soot degradation rate. In addition, gas chromatography measurements in a closed chamber experiment with P25 confirmed that complete mineralization of about 60% of the soot was obtained within 24 hours since CO2 was the sole observed oxidation product. Due to its realistic approach, this study proves that photocatalytic soot removal on TiO2 coated cementitious surfaces is possible in practice, which is an important step towards the practical application of self-cleaning building materials. |
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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 |
000319528900046 |
Publication Date |
2013-03-05 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1385-8947; 1873-3212 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
6.216 |
Times cited |
43 |
Open Access |
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Notes |
; This work was supported by a PhD grant (M. Smits) from the University of Antwerp, a PhD grant (T. Tytgat) funded by the Institute of Innovation by Science and Technology in Flanders (IWT) and the exchange program Tournesol (Project T2012.05) financed by the Flemish government. ; |
Approved |
Most recent IF: 6.216; 2013 IF: 4.058 |
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Call Number |
UA @ admin @ c:irua:106519 |
Serial |
5979 |
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Permanent link to this record |
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Author |
Monico, L.; Rosi, F.; Miliani, C.; Daveri, A.; Brunetti, B.G. |
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Title |
Non-invasive identification of metal-oxalate complexes on polychrome artwork surfaces by reflection mid-infrared spectroscopy |
Type |
A1 Journal article |
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Year |
2013 |
Publication |
Spectrochimica acta: part A: molecular and biomolecular spectroscopy |
Abbreviated Journal |
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Volume |
116 |
Issue |
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Pages |
270-280 |
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Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Abstract |
In this work a reflection mid-infrared spectroscopy study of twelve metal-oxalate complexes, of interest in art conservation science as alteration compounds, was performed. Spectra of the reference materials highlighted the presence of derivative-like and/or inverted features for the fundamental vibrational modes as result of the main contribution from the surface component of the reflected light. In order to provide insights in the interpretation of theses spectral distortions, reflection spectra were compared with conventional transmission ones. The Kramers-Kronig (KK) algorithm, employed to correct for the surface reflection distortions, worked properly only for the derivative-like bands. Therefore, to pay attention to the use of this algorithm when interpreting the reflection spectra is recommended. The outcome of this investigation was exploited to discriminate among different oxalates on thirteen polychrome art-works analyzed in situ by reflection mid-infrared spectroscopy. The visualization of the v(s)(CO) modes (1400-1200 cm(-1)) and low wavenumber bands (below 900 cm(-1)) in the raw reflection profiles allowed Ca, Cu and Zn oxalates to be identified. Further information about the speciation of different hydration forms of calcium oxalates were obtained by using the KK transform. The work proves reflection mid-infrared spectroscopy to be a reliable and sensitive spectro-analytical method for identifying and mapping different metal-oxalate alteration compounds on the surface of artworks, thus providing conservation scientists with a non-invasive tool to obtain information on the state of conservation and causes of alteration of artworks. (C) 2013 Elsevier B.V. All rights reserved. |
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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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Language |
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Wos |
000326207900035 |
Publication Date |
2013-07-12 |
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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 |
1386-1425 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
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Times cited |
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Open Access |
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Notes |
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Approved |
no |
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Call Number |
UA @ admin @ c:irua:112701 |
Serial |
8313 |
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Permanent link to this record |
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Author |
Oh, H.; Gennett, T.; Atanassov, P.; Kurttepeli, M.; Bals, S.; Hurst, K.E.; Hirscher, M. |
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Title |
Hydrogen adsorption properties of platinum decorated hierarchically structured templated carbons |
Type |
A1 Journal article |
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Year |
2013 |
Publication |
Microporous and mesoporous materials: zeolites, clays, carbons and related materials |
Abbreviated Journal |
Micropor Mesopor Mat |
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Volume |
177 |
Issue |
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Pages |
66-74 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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Abstract |
In this report, the possibility of Pt catalytic activity for the dissociation of hydrogen molecules and subsequent hydrogen adsorption on sucrose templated carbon at ambient temperature has been studied. In order to investigate Pt catalytic effect for hydrogen storage solely, 6.8 wt.% Pt-doped (Pt/TC) and pure templated carbon (TC) possessing almost identical specific surface area (SSA) and pore volume (Vp) have been successfully synthesized. Since both Pt/TC and TC shares for their textural properties (e.g. SSA and Vp), any difference of hydrogen adsorption characteristic and storage capacity can be ascribed to the presence of Pt nanoparticles. Both samples are characterized by various techniques such as powder Xray diffraction, ICP-OES, Raman spectroscopy, transmission electron microscopy, cryogenic thermal desorption spectroscopy, low-pressure high-resolution hydrogen and nitrogen BET and high-pressure hydrogen adsorption isotherms in a Sieverts' apparatus. By applying hydrogen and deuterium isotope mixture, cryogenic thermal desorption spectroscopy point to a Pt catalytic activity for the dissociation of hydrogen molecules. Furthermore, the hydrogen adsorption isotherms at RT indicate an enhancement of the initial hydrogen adsorption kinetics in Pt-doped system. However, the hydrogen storage capacity of Pt/TC exhibits a negligible enhancement with a strong hysteresis, suggesting no connection between the spillover effect and a feasible hydrogen storage enhancement. (C) 2013 Elsevier Inc. All rights reserved. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Amsterdam |
Editor |
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Language |
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Wos |
000322293000012 |
Publication Date |
2013-04-28 |
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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 |
1387-1811; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.615 |
Times cited |
25 |
Open Access |
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Notes |
262348 ESMI; COST Action MP1103 |
Approved |
Most recent IF: 3.615; 2013 IF: 3.209 |
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Call Number |
UA @ lucian @ c:irua:109758 |
Serial |
1532 |
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Permanent link to this record |
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Author |
Hauchecorne, B.; Lenaerts, S. |
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Title |
Unravelling the mysteries of gas phase photocatalytic reaction pathways by studying the catalyst surface : a literature review of different Fourier transform infrared spectroscopic reaction cells used in the field |
Type |
A1 Journal article |
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Year |
2013 |
Publication |
Journal of photochemistry and photobiology: C: photochemistry reviews |
Abbreviated Journal |
J Photoch Photobio C |
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Volume |
14 |
Issue |
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Pages |
72-85 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
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Abstract |
Unlike the profound knowledge of the reaction mechanisms occurring in water phase photocatalysis, still fairly little is known on the reaction mechanisms occurring on the catalyst surface when dealing with gaseous pollutants. Unfortunately, there are some differences between both reactions. For one, there are no abundant hydroxyl radicals present in the gas phase, so that possibly other species prove to be important in abating the pollutant. In order to unravel the mysteries of gas phase photocatalytic reaction pathways, in situ techniques must be used to allow the detection and identification of reaction intermediates on a working catalyst. Several techniques were already used in the past, of which Fourier transform infrared spectroscopy seems to be the most versatile. This review will therefore give a selective overview of different spectroscopic reaction cells constructed for the in situ study of photocatalytic gas phase reactions. |
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Place of Publication |
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Wos |
000314669600005 |
Publication Date |
2012-09-28 |
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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 |
1389-5567 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
12.317 |
Times cited |
8 |
Open Access |
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Notes |
; The University of Antwerp is greatly acknowledged for the fellowship granted to Birger Hauchecorne. The authors would also like to thank Sammy W. Verbruggen for his help in providing several papers of interest. ; |
Approved |
Most recent IF: 12.317; 2013 IF: 11.625 |
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Call Number |
UA @ admin @ c:irua:106518 |
Serial |
6001 |
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Permanent link to this record |
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Author |
Van Holsbeke, C.; Vos, W.; van Hoorenbeeck, K.; Boudewyns, A.; Salgado, R.; Verdonck, P.R.; Ramet, J.; de Backer, J.; De Backer, W.; Verhulst, S.L. |
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Title |
Functional respiratory imaging as a tool to assess upper airway patency in children with obstructive sleep apnea |
Type |
A1 Journal article |
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Year |
2013 |
Publication |
Sleep Medicine |
Abbreviated Journal |
Sleep Med |
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Volume |
14 |
Issue |
5 |
Pages |
433-439 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT); Laboratory Experimental Medicine and Pediatrics (LEMP) |
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Abstract |
Objective: We aim to investigate if anatomical and functional properties of the upper airway using computerized 3D models derived from computed tomography (CT) scans better predict obstructive sleep apnea (OSA) severity than standard clinical markers. Methods: Consecutive children with suspected OSA underwent polysomnography, clinical assessment of upper airway patency, and a CT scan while awake. A three-dimensional (3D) reconstruction of the pharyngeal airway was built from these images, and computational fluid dynamics modeling of low inspiratory flow was performed using open-source software. Results: Thirty-three children were included (23 boys; mean age, was 6.0 +/- 3.2 y). OSA was diagnosed in 23 patients. Children with OSA had a significantly lower volume of the overlap region between tonsils and the adenoids (median volume, 1408 mm compared to 2173 mm; p = 0.04), a lower mean cross-sectional area at this location (median volume, 69.3 mm(2) compared to 114.3 mm(2); p = 0.04), and a lower minimal cross-sectional area (median volume, 17.9 mm(2) compared to 25.9 mm(2); p = 0.05). Various significant correlations were found between several imaging parameters and the severity of OSA, most pronounced for upper airway conductance (r = -0.46) (p < 0.01) for correlation between upper airway conductance and the apnea-hypopnea index. No differences or significant correlations were observed with clinical parameters of upper airway patency. Preliminary data after treatment showed that none of the patients with residual OSA had their smallest cross-sectional area located in segment 3, and this frequency was significantly lower than in their peers whose sleep study normalized (64%; p = 0.05). Conclusion: Functional imaging parameters are highly correlated with OSA severity and are a more powerful correlate than clinical scores of upper airway patency. Preliminary data also showed that we could identify differences in the upper airway of those subjects who did not benefit from a local upper airway treatment. (c) 2013 Elsevier B.V. All rights reserved. |
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Publisher |
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Place of Publication |
Amsterdam |
Editor |
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Language |
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Wos |
000318612100009 |
Publication Date |
2013-03-07 |
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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 |
1389-9457; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.391 |
Times cited |
18 |
Open Access |
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Notes |
; ; |
Approved |
Most recent IF: 3.391; 2013 IF: 3.100 |
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Call Number |
UA @ lucian @ c:irua:109015 |
Serial |
1302 |
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Permanent link to this record |
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Author |
Akbulut, S.; Van Grieken, R.; Kilic, M.A.; Čevik, U.; Rotondo, G.G. |
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Title |
Identification of heavy metal origins related to chemical and morphological soil properties using several non-destructive X-ray analytical methods |
Type |
A1 Journal article |
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Year |
2013 |
Publication |
Environmental monitoring and assessment |
Abbreviated Journal |
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Volume |
185 |
Issue |
3 |
Pages |
2377-2394 |
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Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Abstract |
Soils are complex mixtures of organic, inorganic materials, and metal compounds from anthropogenic sources. In order to identify the pollution sources, their magnitude and development, several X-ray analytical methods were applied in this study. The concentrations of 16 elements were determined in all the soil samples using energy dispersive X-ray fluorescence spectrometry. Soils of unknown origin were observed by scanning electron microscopy equipped with a Si(Li) X-ray detector using Monte Carlo simulation approach. The mineralogical analyses were carried out using X-ray diffraction spectrometry. Due to the correlations between heavy metals and oxide compounds, the samples were analyzed also by electron probe microanalyzer (EPMA) in order to have information about their oxide contents. On the other hand, soil pH and salinity levels were identified owing to their influence between heavy metal and soil-surface chemistry. Moreover, the geoaccumulation index (I geo) enables the assessment of contamination by comparing current and pre-industrial concentrations. |
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Place of Publication |
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Wos |
000314033300029 |
Publication Date |
2012-06-21 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1420-2026; 1573-2967 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
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Times cited |
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Open Access |
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Notes |
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Approved |
no |
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Call Number |
UA @ admin @ c:irua:106755 |
Serial |
8052 |
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Permanent link to this record |
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Author |
Alejo, D.; Morales, M.C.; de la Torre, J.B.; Grau, R.; Bencs, L.; Van Grieken, R.; van Espen, P.; Sosa, D.; Nuñez, V. |
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Title |
Seasonal trends of atmospheric nitrogen dioxide and sulfur dioxide over North Santa Clara, Cuba |
Type |
A1 Journal article |
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Year |
2013 |
Publication |
Environmental monitoring and assessment |
Abbreviated Journal |
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Volume |
185 |
Issue |
7 |
Pages |
6023-6033 |
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Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Abstract |
Atmospheric nitrogen dioxide (NO2) and sulfur dioxide (SO2) levels were monitored simultaneously by means of Radiello passive samplers at six sites of Santa Clara city, Cuba, in the cold and the warm seasons in 2010. The dissolved ionic forms of NO2 and SO2 as nitrate and sulfite plus sulfate, respectively, were determined by means of ion chromatography. Analysis of NO2 as nitrite was also performed by UVVis spectrophotometry. For NO2, significant t tests show good agreement between the results of IC and UVVis methods. The NO2 and SO2 concentrations peaked in the cold season, while their minimum levels were experienced in the warm season. The pollutant levels do not exceed the maximum allowable limit of the Cuban Standard 39:1999, i.e., 40 μg/m3 and 50 μg/m3 for NO2 and SO2, respectively. The lowest pollutant concentrations obtained in the warm season can be attributed to an increase in their removal via precipitation (scavenging) while to the decreased traffic density and industrial emission during the summer holidays (e.g., July and August). |
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Wos |
000319753600053 |
Publication Date |
2012-12-03 |
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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 |
1420-2026; 1573-2967 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
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Times cited |
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Open Access |
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Notes |
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Approved |
no |
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Call Number |
UA @ admin @ c:irua:107293 |
Serial |
8501 |
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Permanent link to this record |
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Author |
Vos, W.; de Backer, J.; Poli, G.; De Volder, A.; Ghys, L.; Van Holsbeke, C.; Vinchurkar, S.; De Backer, L.; de Backer, W. |
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Title |
Novel functional imaging of changes in small airways of patients treated with extrafine beclomethasone/formoterol |
Type |
A1 Journal article |
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Year |
2013 |
Publication |
Respiration |
Abbreviated Journal |
Respiration |
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Volume |
86 |
Issue |
5 |
Pages |
393-401 |
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Keywords |
A1 Journal article; Biophysics and Biomedical Physics; Condensed Matter Theory (CMT); Laboratory Experimental Medicine and Pediatrics (LEMP) |
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Abstract |
Background: Inhaled formulations using extrafine particles of long-acting beta(2)-agonists and corticosteroids were developed to optimize asthma treatment. Findings that these combinations reach and treat smaller airways more effectively are predominantly based on general non-specific outcomes with little information on regional characteristics. Objectives: This study aims to assess long-term effects of extrafine beclomethasone/formoterol on small airways of asthmatic patients using novel functional imaging methods. Methods: Twenty-four stable asthma patients were subdivided into three groups (steroid naive, n = 7; partially controlled, n = 6; well controlled, n = 11). Current treatment was switched to a fixed combination of extrafine beclomethasone/formoterol (Foster (R); Chiesi Pharmaceuticals, Parma, Italy). Patients underwent lung function evaluation and thorax high-resolution computerized tomography (HRCT) scan. Local airway resistance was obtained from computational fluid dynamics (CFD). Results: After 6 months, the entire population showed improvement in pre-bronchodilation imaging parameters, including small airway volume (p = 0.0007), resistance (p = 0.011), and asthma control score (p = 0.016). Changes in small airway volume correlated with changes in asthma control score (p = 0.004). Forced expiratory volume in 1 s (p = 0.044) and exhaled nitric oxide (p = 0.040) also improved. Functional imaging provided more detail and clinical relevance compared to lung function tests, especially in the well-controlled group where only functional imaging parameters showed significant improvement, while the correlation with asthma control score remained. Conclusions: Extrafine beclomethasone/formoterol results in a significant reduction of small airway obstruction, detectable by functional imaging (HRCT/CFD). Changes in imaging parameters correlated significantly with clinically relevant improvements. This indicates that functional imaging is a useful tool for sensitive assessment of changes in the respiratory system after asthma treatment. Copyright (C) 2013 S. Karger AG, Basel |
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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 |
Basel |
Editor |
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Language |
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Wos |
000329046200006 |
Publication Date |
2013-04-12 |
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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 |
1423-0356;0025-7931; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.772 |
Times cited |
30 |
Open Access |
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Notes |
; ; |
Approved |
Most recent IF: 2.772; 2013 IF: 2.924 |
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Call Number |
UA @ lucian @ c:irua:113762 |
Serial |
2376 |
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Permanent link to this record |
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Author |
Leroux, F.; Bladt, E.; Timmermans, J.-P.; Van Tendeloo, G.; Bals, S. |
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Title |
Annular dark-field transmission electron microscopy for low contrast materials |
Type |
A1 Journal article |
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Year |
2013 |
Publication |
Microscopy and microanalysis |
Abbreviated Journal |
Microsc Microanal |
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Volume |
19 |
Issue |
3 |
Pages |
629-634 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
Imaging soft matter by transmission electron microscopy (TEM) is anything but straightforward. Recently, interest has grown in developing alternative imaging modes that generate contrast without additional staining. Here, we present a dark-field TEM technique based on the use of an annular objective aperture. Our experiments demonstrate an increase in both contrast and signal-to-noise ratio in comparison to conventional bright-field TEM. The proposed technique is easy to implement and offers an alternative imaging mode to investigate soft matter. |
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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 |
Cambridge, Mass. |
Editor |
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Language |
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Wos |
000319126300014 |
Publication Date |
2013-04-04 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1431-9276;1435-8115; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
1.891 |
Times cited |
5 |
Open Access |
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Notes |
262348 Esmi; Fwo G002410n G018008 |
Approved |
Most recent IF: 1.891; 2013 IF: 2.161 |
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Call Number |
UA @ lucian @ c:irua:108712 |
Serial |
133 |
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Permanent link to this record |
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Author |
De Keersmaecker, M.; De Wael, K.; Adriaens, A. |
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Title |
Influence of the deposition method, temperature and deposition time on the corrosion inhibition of lead dodecanoate coatings deposited on lead surfaces |
Type |
A1 Journal article |
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Year |
2013 |
Publication |
Journal of solid state electrochemistry |
Abbreviated Journal |
J Solid State Electr |
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Volume |
17 |
Issue |
5 |
Pages |
1259-1269 |
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Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Abstract |
Electrochemical impedance measurements have been used to investigate the influence of the deposition method, including time and temperature, upon the corrosion inhibition characteristics of lead dodecanoate coatings on lead electrodes. The results were analysed using multivariate statistics and show that, in general, these easily prepared coatings are very protective against corrosion. The temperature proves to be an important parameter for the quality and the corrosion inhibition efficiency of the coating. A comparison between two different electrochemically assisted deposition methods, immersion using a reduction pretreatment and cyclic voltammetry, does not show significant differences. Using the immersion technique at room temperature, the deposition time was tested as the third influencing parameter for the corrosion inhibition efficiency of the deposited lead dodecanoate coatings. A longer deposition time of the lead into the sodium dodecanoate solution provides a layer with a somewhat higher corrosion resistance. |
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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 |
000320374300001 |
Publication Date |
2013-01-10 |
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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 |
1432-8488 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.316 |
Times cited |
4 |
Open Access |
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Notes |
; The Research Foundation-Flanders (FWO)- and Ghent University are acknowledged for the funding of this work. The authors would also like to thank Pieter van Hoe for the construction of the lead electrodes. ; |
Approved |
Most recent IF: 2.316; 2013 IF: 2.234 |
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Call Number |
UA @ admin @ c:irua:105278 |
Serial |
5663 |
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Permanent link to this record |
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Author |
Neyts, E.C.; Bogaerts, A. |
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Title |
Combining molecular dynamics with Monte Carlo simulations : implementations and applications |
Type |
A1 Journal article |
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Year |
2013 |
Publication |
Theoretical chemistry accounts : theory, computation, and modeling |
Abbreviated Journal |
Theor Chem Acc |
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Volume |
132 |
Issue |
2 |
Pages |
1320-12 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
In this contribution, we present an overview of the various techniques for combining atomistic molecular dynamics with Monte Carlo simulations, mainly in the context of condensed matter systems, as well as a brief summary of the main accelerated dynamics techniques. Special attention is given to the force bias Monte Carlo technique and its combination with molecular dynamics, in view of promising recent developments, including a definable timescale. Various examples of the application of combined molecular dynamics / Monte Carlo simulations are given, in order to demonstrate the enhanced simulation efficiency with respect to either pure molecular dynamics or Monte Carlo. |
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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 |
000318294700010 |
Publication Date |
2012-12-19 |
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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 |
1432-881X;1432-2234; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
1.89 |
Times cited |
27 |
Open Access |
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Notes |
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Approved |
Most recent IF: 1.89; 2013 IF: 2.143 |
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Call Number |
UA @ lucian @ c:irua:104725 |
Serial |
404 |
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Permanent link to this record |
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Author |
Tan, H.; Tian, H.; Verbeeck, J.; Janssens, K.; Van Tendeloo, G. |
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Title |
Nanoscale investigation of the degradation mechanism of a historical chrome yellow paint by quantitative electron energy loss spectroscopy mapping of chromium species |
Type |
A1 Journal article |
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Year |
2013 |
Publication |
Angewandte Chemie: international edition in English |
Abbreviated Journal |
Angew Chem Int Edit |
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Volume |
52 |
Issue |
43 |
Pages |
11360-11363 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Abstract |
Getting the picture: The investigation of 100 year old chrome yellow paint by transmission electron microscopy and spectroscopy has led to the identification of four types of coreshell particles. This nanoscale investigation has allowed a mechanism to be proposed for the darkening of some bright yellow colors in Van Gogh's paintings (e.g. in Falling leaves (Les Alyscamps), 1888). |
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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 |
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Wos |
000330735800026 |
Publication Date |
2013-09-13 |
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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 |
1433-7851; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
11.994 |
Times cited |
29 |
Open Access |
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Notes |
Esteem2; Vortex; Countatoms; esteem2jra3 ECASJO; |
Approved |
Most recent IF: 11.994; 2013 IF: 11.336 |
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Call Number |
UA @ lucian @ c:irua:110947UA @ admin @ c:irua:110947 |
Serial |
2266 |
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Permanent link to this record |
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Author |
Ovsyannikov, S.V.; Abakumov, A.M.; Tsirlin, A.A.; Schnelle, W.; Egoavil, R.; Verbeeck, J.; Van Tendeloo, G.; Glazyrin, K.V.; Hanfland, M.; Dubrovinsky, L. |
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Title |
Perovskite-like Mn2O3 : a path to new manganites |
Type |
A1 Journal article |
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Year |
2013 |
Publication |
Angewandte Chemie |
Abbreviated Journal |
Angew Chem Int Edit |
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Volume |
52 |
Issue |
5 |
Pages |
1494-1498 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
Korund-artiges ε-Mn2O3 und Perowskit-artiges ζ-Mn2O3, zwei neue Phasen von Mn2O3, wurden unter hohen Drücken bei hohen Temperaturen synthetisiert. Die Manganatome können vollständig die A- und B-Positionen der Perowskitstruktur besetzen. ζ-Mn2O3 (siehe Bild, A-Positionsordnung) enthält Mn in den drei Oxidationsstufen +II, +III und +IV. |
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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 |
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Wos |
000313913300027 |
Publication Date |
2012-12-22 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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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 |
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Impact Factor |
11.994 |
Times cited |
84 |
Open Access |
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Notes |
This work was supported by the DFG (project OV-110/1-1), Alexander von Humboldt foundation, European Union Council (FP7)-Grant no. 246102 IFOX, European Research Council (FP7)-ERC Starting Grant no. 278510 VORTEX and ERC Grant no. 246791-COUNTATOMS, and Hercules fund from the Flemish Government. ECASJO_; |
Approved |
Most recent IF: 11.994; 2013 IF: 11.336 |
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Call Number |
UA @ lucian @ c:irua:108765UA @ admin @ c:irua:108765 |
Serial |
2573 |
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Permanent link to this record |
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Author |
Li, M.R.; Walker, D.; Retuerto, M.; Sarkar, T.; Hadermann, J.; Stephens, P.W.; Croft, M.; Ignatov, A.; Grams, C.P.; Hemberger, J.; Nowik, I.; Halasyamani, P.S.; Tran, T.T.; Mukherjee, S.; Dasgupta, T.S.; Greenblatt, M.; |
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Title |
Polar and magnetic Mn2FeMO6 (M=Nb, Ta) with LiNbO3-type structure : high-pressure synthesis |
Type |
A1 Journal article |
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Year |
2013 |
Publication |
Angewandte Chemie: international edition in English |
Abbreviated Journal |
Angew Chem Int Edit |
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Volume |
52 |
Issue |
32 |
Pages |
8406-8410 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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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 |
Weinheim |
Editor |
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Language |
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Wos |
000322631600044 |
Publication Date |
2013-06-27 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1433-7851; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
11.994 |
Times cited |
53 |
Open Access |
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Notes |
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Approved |
Most recent IF: 11.994; 2013 IF: 11.336 |
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Call Number |
UA @ lucian @ c:irua:110749 |
Serial |
2657 |
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Permanent link to this record |
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Author |
Anaf, W.; Janssens, K.; De Wael, K. |
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Title |
Formation of metallic mercury during photodegradation/photodarkening of \alpha-HgS : electrochemical evidence |
Type |
A1 Journal article |
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Year |
2013 |
Publication |
Angewandte Chemie: international edition in English |
Abbreviated Journal |
Angew Chem Int Edit |
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Volume |
52 |
Issue |
48 |
Pages |
12568-12571 |
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Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Abstract |
Das rote Pigment α-HgS neigt in Gegenwart von Licht und Chloridionen zur Schwärzung. Als Grund für die Zersetzung und Entfärbung werden die Bildung von (schwarzem) β-HgS oder Quecksilbermetall vermutet, doch diese Substanzen wurden noch nicht auf natürlich oder künstlich zersetzter HgS-Farbe nachgewiesen. Elektrochemische Experimente belegen nun die Bildung von Quecksilbermetall in Gegenwart von Licht und Chloridionen. |
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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 |
000327582900015 |
Publication Date |
2013-10-04 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1433-7851; 0570-0833 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
11.994 |
Times cited |
19 |
Open Access |
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Notes |
; The authors acknowledge L. Klaassen for valuable discussions and providing samples. We acknowledge financial support from the SDD programme (S2-ART project) of the Belgian Federal Goverment. ; |
Approved |
Most recent IF: 11.994; 2013 IF: 11.336 |
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Call Number |
UA @ admin @ c:irua:111265 |
Serial |
5626 |
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Permanent link to this record |
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Author |
Carraro, G.; Maccato, C.; Bontempi, E.; Gasparotto, A.; Lebedev, O.I.; Turner, S.; Depero, L.E.; Van Tendeloo, G.; Barreca, D. |
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Title |
Insights on growth and nanoscopic investigation of uncommon iron oxide polymorphs |
Type |
A1 Journal article |
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Year |
2013 |
Publication |
European journal of inorganic chemistry |
Abbreviated Journal |
Eur J Inorg Chem |
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Volume |
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Issue |
31 |
Pages |
5454-5461 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
Si(100)-supported Fe2O3 nanomaterials were developed by a chemical vapor deposition (CVD) approach. The syntheses, which were performed at temperatures between 400 and 550 °C, selectively yielded the scarcely studied β- and ϵ-Fe2O3 polymorphs under O2 or O2 + H2O reaction environments, respectively. Correspondingly, the observed morphology underwent a progressive evolution from interconnected nanopyramids to vertically aligned nanorods. The present study aims to provide novel insights into Fe2O3 nano-organization by a systematic investigation of the system structure/morphology and of their interrelations with growth conditions. In particular, for the first time, the β- and ϵ-Fe2O3 preparation process has been accompanied by a thorough multitechnique investigation, which, beyond X-ray photoelectron spectroscopy (XPS) and field-emission scanning electron microscopy (FESEM), is carried out by X-ray diffraction (XRD), energy-dispersive X-ray spectroscopy (EDXS), atomic force microscopy (AFM), high-resolution transmission electron microscopy (HRTEM), electron diffraction (ED), scanning TEM electron energy-loss spectroscopy (STEM-EELS), and high-angle annular dark-field STEM (HAADF-STEM). Remarkably, the target materials showed a high structural and compositional homogeneity throughout the whole thickness of the nanodeposit. In particular, spatially resolved EELS chemical maps through the spectrum imaging (SI) technique enabled us to gain important information on the local Fe coordination, which is of crucial importance in determining the system reactivity. The described preparation method is in fact a powerful tool to simultaneously tailor phase composition and morphology of iron(III) oxide nanomaterials, the potential applications of which include photocatalysis, magnetic devices, gas sensors, and anodes for Li-ion batteries. |
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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 |
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Wos |
000330567000009 |
Publication Date |
2013-10-08 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1434-1948; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.444 |
Times cited |
18 |
Open Access |
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Notes |
Fwo; Countatoms |
Approved |
Most recent IF: 2.444; 2013 IF: 2.965 |
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Call Number |
UA @ lucian @ c:irua:110946 |
Serial |
1676 |
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Permanent link to this record |