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Records |
Links |
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Author |
Beyers, E.; Biermans, E.; Ribbens, S.; de Witte, K.; Mertens, M.; Meynen, V.; Bals, S.; Van Tendeloo, G.; Vansant, E.F.; Cool, P. |
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| |
Title |
Combined TiO2/SiO2 mesoporous photocatalysts with location and phase controllable TiO2 nanoparticles |
Type |
A1 Journal article |
| |
Year |
2009 |
Publication |
Applied catalysis : B : environmental |
Abbreviated Journal |
Appl Catal B-Environ |
|
| |
Volume |
88 |
Issue |
3/4 |
Pages |
515-524 |
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| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Laboratory of adsorption and catalysis (LADCA) |
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| |
Abstract |
Combined TiO2/SiO2 mesoporous materials were prepared by deposition of TiO2 nanoparticles synthesised via the acid-catalysed solgel method. In the first synthesis step a titania solution is prepared, by dissolving titaniumtetraisopropoxide in nitric acid. The influences of the initial titaniumtetraisopropoxide concentration and the temperature of dissolving on the final structural properties were investigated. In the second step of the synthesis, the titania nanoparticles were deposited on a silica support. Here, the influence of the temperature during deposition was studied. The depositions were carried out on two different mesoporous silica supports, SBA-15 and MCF, leading to substantial differences in the catalytic and structural properties. The samples were analysed with N2-sorption, X-ray diffraction (XRD), electron probe microanalysis (EPMA) and transmission electron microscopy (TEM) to obtain structural information, determining the amount of titania, the crystal phase and the location of the titania particles on the mesoporous material (inside or outside the mesoporous channels). The structural differences of the support strongly determine the location of the nanoparticles and the subsequent photocatalytic activity towards the degradation of rhodamine 6G in aqueous solution under UV irradiation. |
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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 |
Amsterdam |
Editor |
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| |
Language |
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Wos |
000266513400032 |
Publication Date |
2008-10-29 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
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Edition |
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| |
ISSN  |
0926-3373; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
9.446 |
Times cited |
69 |
Open Access |
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| |
Notes |
Goa-Bof; Fwo |
Approved |
Most recent IF: 9.446; 2009 IF: 5.252 |
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| |
Call Number |
UA @ lucian @ c:irua:77150 |
Serial |
403 |
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| Permanent link to this record |
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Author |
Xie, L.; Brault, P.; Coutanceau, C.; Bauchire, J.-M.; Caillard, A.; Baranton, S.; Berndt, J.; Neyts, E.C. |
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| |
Title |
Efficient amorphous platinum catalyst cluster growth on porous carbon : a combined molecular dynamics and experimental study |
Type |
A1 Journal article |
| |
Year |
2015 |
Publication |
Applied catalysis : B : environmental |
Abbreviated Journal |
Appl Catal B-Environ |
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| |
Volume |
162 |
Issue |
162 |
Pages |
21-26 |
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| |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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| |
Abstract |
Amorphous platinum clusters supported on porous carbon have been envisaged for high-performance fuel cell electrodes. For this application, it is crucial to control the morphology of the Pt layer and the Ptsubstrate interaction to maximize activity and stability. We thus investigate the morphology evolution during Pt cluster growth on a porous carbon substrate employing atomic scale molecular dynamics simulations. The simulations are based on the Pt-C interaction potential using parameters derived from density functional theory and are found to yield a Pt cluster morphology similar to that observed in low loaded fuel cell electrodes prepared by plasma sputtering. Moreover, the simulations show amorphous Pt cluster growth in agreement with X-ray diffraction and transmission electron microscopy experiments on high performance low Pt content (10 μgPt cm−2) loaded fuel cell electrodes and provide a fundamental insight in the cluster growth mechanism. |
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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 |
Amsterdam |
Editor |
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Language |
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Wos |
000343686900003 |
Publication Date |
2014-06-26 |
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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 |
0926-3373; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
9.446 |
Times cited |
20 |
Open Access |
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| |
Notes |
|
Approved |
Most recent IF: 9.446; 2015 IF: 7.435 |
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| |
Call Number |
c:irua:117949 |
Serial |
874 |
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| Permanent link to this record |
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Author |
Somers, W.; Bogaerts, A.; van Duin, A.C.T.; Neyts, E.C. |
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Title |
Interactions of plasma species on nickel catalysts : a reactive molecular dynamics study on the influence of temperature and surface structure |
Type |
A1 Journal article |
| |
Year |
2014 |
Publication |
Applied catalysis : B : environmental |
Abbreviated Journal |
Appl Catal B-Environ |
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| |
Volume |
154 |
Issue |
|
Pages |
1-8 |
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| |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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| |
Abstract |
Methane reforming by plasma catalysis is a complex process that is far from understood. It requires a multidisciplinary approach which ideally takes into account all effects from the plasma on the catalyst, and vice versa. In this contribution, we focus on the interactions of CHx (x = {1,2,3}) radicals that are created in the plasma with several nickel catalyst surfaces. To this end, we perform reactive molecular dynamics simulations, based on the ReaxFF potential, in a wide temperature range of 4001600 K. First, we focus on the H2 formation as a function of temperature and surface structure. We observe that substantial H2 formation is obtained at 1400 K and above, while the role of the surface structure seems limited. Indeed, in the initial stage, the type of nickel surface influences the CH bond breaking efficiency of adsorbed radicals; however, the continuous carbon diffusion into the surface gradually diminishes the surface crystallinity and therefore reduces the effect of surface structure on the H2 formation probability. Furthermore, we have also investigated to what extent the species adsorbed on the catalyst surface can participate in surface reactions more in general, for the various surface structures and as a function of temperature. These results are part of the ongoing research on the methane reforming by plasma catalysis, a highly interesting yet complex alternative to conventional reforming processes. |
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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 |
Amsterdam |
Editor |
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| |
Language |
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Wos |
000335098800001 |
Publication Date |
2014-02-06 |
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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 |
0926-3373; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
9.446 |
Times cited |
23 |
Open Access |
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| |
Notes |
|
Approved |
Most recent IF: 9.446; 2014 IF: 7.435 |
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| |
Call Number |
UA @ lucian @ c:irua:114607 |
Serial |
1686 |
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| Permanent link to this record |
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Author |
de Witte, K.; Meynen, V.; Mertens, M.; Lebedev, O.I.; Van Tendeloo, G.; Sepúlveda-Escribano, A.; Rodríguez-Reinoso, F.; Vansant, E.F.; Cool, P. |
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Title |
Multi-step loading of titania on mesoporous silica: influence of the morphology and the porosity on the catalytic degradation of aqueous pollutants and VOC's |
Type |
A1 Journal article |
| |
Year |
2008 |
Publication |
Applied catalysis : B : environmental |
Abbreviated Journal |
Appl Catal B-Environ |
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| |
Volume |
84 |
Issue |
1/2 |
Pages |
125-132 |
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| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Laboratory of adsorption and catalysis (LADCA) |
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Abstract |
Titania nanoparticles have been deposited on inert porous silica supports with high specific surface area. These materials have potential applications in paint and textile industry as the titania particles selectively deposited on the inner surface of the silica supports act as a photocatalyst. The inert external surface is necessary to avoid photodegradation of the textile material or the paint components. The photocatalytic activity of the catalysts has been evaluated with two catalytic setups. One setup in aqueous phase, for the degradation of dyes such as rhodamine-6G, is commonly used. The second setup is a continuous flow gaseous phase setup which was used for the mineralization of ethanol as a representative volatile organic compound (VOC). The influence of the porosity and the morphology of the silica supports on the photocatalytic activity are discussed. |
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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 |
Amsterdam |
Editor |
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| |
Language |
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Wos |
000260728300017 |
Publication Date |
2008-04-08 |
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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 |
0926-3373; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
9.446 |
Times cited |
24 |
Open Access |
|
|
| |
Notes |
Iwt 30916; Fwo |
Approved |
Most recent IF: 9.446; 2008 IF: 4.853 |
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| |
Call Number |
UA @ lucian @ c:irua:68279 |
Serial |
2213 |
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| Permanent link to this record |
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Author |
Sheng, X.; Daems, N.; Geboes, B.; Kurttepeli, M.; Bals, S.; Breugelmans, T.; Hubin, A.; Vankelecom, I.F.J.; Pescarmona, P.P. |
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Title |
N-doped ordered mesoporous carbons prepared by a two-step nanocasting strategy as highly active and selective electrocatalysts for the reduction of O2 to H2O2 |
Type |
A1 Journal article |
| |
Year |
2015 |
Publication |
Applied catalysis : B : environmental |
Abbreviated Journal |
Appl Catal B-Environ |
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| |
Volume |
176-177 |
Issue |
176-177 |
Pages |
212-224 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Applied Electrochemistry & Catalysis (ELCAT) |
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Abstract |
A new, two-step nanocasting method was developed to prepare N-doped ordered mesoporous carbon (NOMC) electrocatalysts for the reduction of O2 to H2O2. Our strategy involves the sequential pyrolysis of two inexpensive and readily available N and C precursors, i.e. aniline and dihydroxynaphthalene (DHN), inside the pores of a SBA-15 hard silica template to obtain N-doped graphitic carbon materials with well-ordered pores and high surface areas (764 and 877 m2g−1). By tuning the ratio of carbon sources to silica template, it was possible to achieve an optimal filling of the pores of the SBA-15 silica and to minimise carbon species outside the pores. These NOMC materials displayed outstanding electrocatalytic activity in the oxygen reduction reaction, achieving a remarkably enhanced kinetic current density compared to state-of-the-art N-doped carbon materials (−16.7 mA cm−2 at −0.35 V vs. Ag/AgCl in a 0.1 M KOH solution as electrolyte). The NOMC electrocatalysts showed high selectivity toward the two-electron reduction of oxygen to hydrogen peroxide and excellent long-term stability. |
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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 |
Amsterdam |
Editor |
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Language |
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Wos |
000356549200022 |
Publication Date |
2015-04-05 |
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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 |
0926-3373; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
9.446 |
Times cited |
111 |
Open Access |
OpenAccess |
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| |
Notes |
335078 Colouratom; ECAS_Sara; (ROMEO:green; preprint:; postprint:can ; pdfversion:cannot); |
Approved |
Most recent IF: 9.446; 2015 IF: 7.435 |
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Call Number |
c:irua:125370 |
Serial |
2246 |
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| Permanent link to this record |
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Author |
Verbruggen, S.W.; Deng, S.; Kurttepeli, M.; Cott, D.J.; Vereecken, P.M.; Bals, S.; Martens, J.A.; Detavernier, C.; Lenaerts, S. |
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Title |
Photocatalytic acetaldehyde oxidation in air using spacious TiO2 films prepared by atomic layer deposition on supported carbonaceous sacrificial templates |
Type |
A1 Journal article |
| |
Year |
2014 |
Publication |
Applied catalysis : B : environmental |
Abbreviated Journal |
Appl Catal B-Environ |
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| |
Volume |
160 |
Issue |
|
Pages |
204-210 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Sustainable Energy, Air and Water Technology (DuEL) |
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| |
Abstract |
Supported carbon nanosheets and carbon nanotubes served as sacrificial templates for preparing spacious TiO2 photocatalytic thin films. Amorphous TiO2 was deposited conformally on the carbonaceous template material by atomic layer deposition (ALD). Upon calcination at 550 °C, the carbon template was oxidatively removed and the as-deposited continuous amorphous TiO2 layers transformed into interlinked anatase nanoparticles with an overall morphology commensurate to the original template structure. The effect of type of template, number of ALD cycles and gas residence time of pollutant on the photocatalytic activity, as well as the stability of the photocatalytic performance of these thin films was investigated. The TiO2 films exhibited excellent photocatalytic activity toward photocatalytic degradation of acetaldehyde in air as a model reaction for photocatalytic indoor air pollution abatement. Optimized films outperformed a reference film of commercial PC500. |
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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 |
Amsterdam |
Editor |
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Language |
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Wos |
000340687900024 |
Publication Date |
2014-05-27 |
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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 |
|
Series Issue |
|
Edition |
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| |
ISSN |
0926-3373; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
9.446 |
Times cited |
37 |
Open Access |
OpenAccess |
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| |
Notes |
335078 Colouratom; Iap-Pai P7/05; Fwo; ECAS_Sara; (ROMEO:green; preprint:; postprint:can ; pdfversion:cannot); |
Approved |
Most recent IF: 9.446; 2014 IF: 7.435 |
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| |
Call Number |
UA @ lucian @ c:irua:117094 |
Serial |
2608 |
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| Permanent link to this record |
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Author |
Verbruggen, S.W.; Keulemans, M.; Filippousi, M.; Flahaut, D.; Van Tendeloo, G.; Lacombe, S.; Martens, J.A.; Lenaerts, S. |
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Title |
Plasmonic goldsilver alloy on TiO2 photocatalysts with tunable visible light activity |
Type |
A1 Journal article |
| |
Year |
2014 |
Publication |
Applied catalysis : B : environmental |
Abbreviated Journal |
Appl Catal B-Environ |
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| |
Volume |
156 |
Issue |
|
Pages |
116-121 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Sustainable Energy, Air and Water Technology (DuEL) |
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Abstract |
Adaptation of the photoresponse of anatase TiO2 to match the solar spectrum is an important scientific challenge. Modification of TiO2 with noble metal nanoparticles displaying surface plasmon resonance effects is one of the promising approaches. Surface plasmon resonance typically depends on chemical composition, size, shape and spatial organization of the metal nanoparticles in contact with TiO2. AuxAg(1 − x) alloy nanoparticles display strong composition-dependent surface plasmon resonance in the visible light region of the spectrum. In this work, a general strategy is presented to prepare plasmonic TiO2-based photocatalysts with a visible light response that can be accurately tuned over a broad range of the spectrum. The application as self-cleaning material toward the degradation of stearic acid is demonstrated for a plasmonic TiO2 photocatalyst displaying visible light photoactivity at the intensity maximum of solar light around 490 nm. |
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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 |
Amsterdam |
Editor |
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Language |
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Wos |
000336013200014 |
Publication Date |
2014-03-22 |
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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 |
0926-3373; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
9.446 |
Times cited |
84 |
Open Access |
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Notes |
Flanders(FWO); Methusalem |
Approved |
Most recent IF: 9.446; 2014 IF: 7.435 |
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Call Number |
UA @ lucian @ c:irua:115552 |
Serial |
2646 |
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| Permanent link to this record |
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Author |
Van Aert, S.; Batenburg, J.; Van Tendeloo, S. |
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Title |
Atomen tellen |
Type |
A3 Journal article |
| |
Year |
2011 |
Publication |
Nederlands tijdschrift voor natuurkunde (1991) |
Abbreviated Journal |
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Volume |
77 |
Issue |
8 |
Pages |
292-295 |
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Keywords |
A3 Journal article; Electron microscopy for materials research (EMAT); Vision lab |
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Abstract |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Amsterdam |
Editor |
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Language |
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Wos |
|
Publication Date |
0000-00-00 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0926-4264 |
ISBN |
|
Additional Links |
UA library record |
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Impact Factor |
|
Times cited |
|
Open Access |
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| |
Notes |
|
Approved |
Most recent IF: NA |
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Call Number |
UA @ lucian @ c:irua:94119 |
Serial |
164 |
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| Permanent link to this record |
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Author |
Batenburg, J.; Van Aert, S. |
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Title |
Three-dimensional reconstruction of a nanoparticle at atomic resolution |
Type |
A2 Journal article |
| |
Year |
2011 |
Publication |
ERCIM news |
Abbreviated Journal |
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| |
Volume |
86 |
Issue |
|
Pages |
52 |
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Keywords |
A2 Journal article; Electron microscopy for materials research (EMAT); Vision lab |
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Abstract |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Le Chesnay |
Editor |
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Language |
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Wos |
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Publication Date |
0000-00-00 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0926-4981 |
ISBN |
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Additional Links |
UA library record |
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Impact Factor |
|
Times cited |
|
Open Access |
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| |
Notes |
|
Approved |
Most recent IF: NA |
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Call Number |
UA @ lucian @ c:irua:94120 |
Serial |
3655 |
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| Permanent link to this record |
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Author |
Van Aelst, J.; Philippaerts, A.; Turner, S.; Van Tendeloo, G.; Jacobs, P.; Sels, B. |
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Title |
Heterogeneous conjugation of vegetable oil with alkaline treated highly dispersed Ru/USY catalysts |
Type |
A1 Journal article |
| |
Year |
2016 |
Publication |
Applied catalysis : A : general |
Abbreviated Journal |
Appl Catal A-Gen |
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| |
Volume |
526 |
Issue |
526 |
Pages |
172-182 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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| |
Abstract |
Heterogeneous metal catalysts enable the direct conjugation of linoleic acid tails in vegetable oil to their conjugated linoleic acid (CIA) isomers. CIA-enriched oils are useful as renewable feedstock for the chemical industry and as nutraceutical. Up to now, a solvent-free process for conjugated oils without significant formation of undesired hydrogenation products was not existing. This work shows the design of Ru/USY catalysts able to directly conjugate highly unsaturated vegetable oils such as safflower oil in absence of solvent and hydrogen. Key is fast molecular transport of the bulky reagent and reactive product triglycerides in the zeolite crystal. A two-step zeolite post-synthetic treatment (with NH4OH and acetate salt) was applied to create the necessary mesoporosity. More open zeolite structures allow for a faster conjugation reaction, while securing a fast removal of the reactive conjugated triglycerides, otherwise rapidly deactivating through fouling and pore blockage by polymers. The best Ru/USY catalyst in this contribution is capable of producing exceptionally high yields of conjugated oils, containing up to almost 30 wt% conjugated fatty acid tails in safflower oil, at an initial production rate of 328 g(CLA) mL(-1) h(-1) per gram metal catalyst. (C) 2016 Elsevier B.V. All rights reserved. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Amsterdam |
Editor |
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Language |
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Wos |
000384865600021 |
Publication Date |
2016-09-03 |
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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 |
0926-860x |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
4.339 |
Times cited |
1 |
Open Access |
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| |
Notes |
|
Approved |
Most recent IF: 4.339 |
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| |
Call Number |
UA @ lucian @ c:irua:137242 |
Serial |
4383 |
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| Permanent link to this record |
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Author |
van der Graaf, W.N.P.; Tempelman, C.H.L.; Hendriks, F.C.; Ruiz-Martinez, J.; Bals, S.; Weckhuysen, B.M.; Pidko, E.A.; Hensen, E.J.M. |
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Title |
Deactivation of Sn-Beta during carbohydrate conversion |
Type |
A1 Journal article |
| |
Year |
2018 |
Publication |
Applied catalysis : A : general |
Abbreviated Journal |
Appl Catal A-Gen |
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| |
Volume |
564 |
Issue |
564 |
Pages |
113-122 |
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| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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| |
Abstract |
The deactivation of Sn-Beta zeolite catalyst during retro-aldolization and isomerization of glucose is investigated. Confocal fluorescence microscopy reveals that retro-aldolization of glucose in CH3OH at 160 degrees C is accompanied with the build-up of insoluble oligomeric deposits in the micropores, resulting in a rapid catalyst deactivation. These deposits accumulate predominantly in the outer regions of the zeolite crystals, which points to mass transport limitations. Glucose isomerization in water is not only accompanied by the formation of insoluble deposits in the micropores, but also by the structural degradation of the zeolite due to desilication and destannation. Enhanced and sustained catalytic performance can be achieved by using ethanol/water mixtures as the reaction solvent instead of water. |
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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 |
Amsterdam |
Editor |
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| |
Language |
|
Wos |
000443669800012 |
Publication Date |
2018-07-21 |
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| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0926-860x |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
4.339 |
Times cited |
25 |
Open Access |
OpenAccess |
|
| |
Notes |
; This work was performed in the framework of the CatchBio programme and the Joint Scientific Thematic Research Programme funded by the The Netherlands Organization for Scientific Research (NWO) and the Chinese Ministry of Science and Technology. J.R.M. acknowledges the Dutch Science Foundation (NWO) for his personal VENI grant. ; |
Approved |
Most recent IF: 4.339 |
|
| |
Call Number |
UA @ lucian @ c:irua:153715UA @ admin @ c:irua:153715 |
Serial |
5088 |
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| Permanent link to this record |
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| |
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Author |
Nematollahi, P.; Neyts, E.C. |
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| |
Title |
Direct oxidation of methane to methanol on Co embedded N-doped graphene: Comparing the role of N₂O and O₂ as oxidants |
Type |
A1 Journal article |
| |
Year |
2020 |
Publication |
Applied Catalysis A-General |
Abbreviated Journal |
Appl Catal A-Gen |
|
| |
Volume |
602 |
Issue |
|
Pages |
117716-10 |
|
| |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
|
| |
Abstract |
In this work, the effects of N-doping into the Co-doped single vacancy (Co-SV-G) and di-vacancy graphene flake (Co-dV-G) are investigated and compared toward direct oxidation of methane to methanol (DOMM) employing two different oxidants (N2O and O-2) using density functional theory (DFT) calculation. We found that DOMM on CoN3-G utilizing the N2O molecule as oxygen-donor proceeds via a two-step reaction with low activation energies. In addition, we found that although CoN3-G might be a good catalyst for methane conversion, it can also catalyze the oxidation of methanol to CO2 and H2O due to the required low activation barriers. Moreover, the adsorption behaviors of CHx (x = 0-4) species and dehydrogenation of CHx (x = 1-4) species on CoN3-G are investigated. We concluded that CoN3-G can be used as an efficient catalyst for DOMM and N-2O reduction at ambient conditions which may serve as a guide for fabricating effective C/N catalysts in energy-related devices. |
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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 |
000554006800046 |
Publication Date |
2020-06-27 |
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| |
Series Editor |
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Series Title |
|
Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0926-860x |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
5.5 |
Times cited |
|
Open Access |
|
|
| |
Notes |
; This work was performed with the financial support from the Doctoral Fund of the Antwerp University (NO. BOFLP33099). All the simulations are performed on resources provided by the high-performance computing center of Antwerp University. ; |
Approved |
Most recent IF: 5.5; 2020 IF: 4.339 |
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| |
Call Number |
UA @ admin @ c:irua:171219 |
Serial |
6485 |
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| Permanent link to this record |
| |
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| |
|
Author |
Wang, Y.-T.; Wu, S.-M.; Luo, G.-Q.; Tian, G.; Wang, L.-Y.; Xiao, S.-T.; Wu, J.-X.; Wu, A.; Wu, K.-J.; Lenaerts, S.; Yang, X.-Y. |
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| |
Title |
A core-shell confined Pd@TS-1 @meso-SiO2 catalyst and its synergy effect on styrene oxidation |
Type |
A1 Journal article |
| |
Year |
2023 |
Publication |
Applied catalysis : A : general |
Abbreviated Journal |
|
|
| |
Volume |
650 |
Issue |
|
Pages |
119016-6 |
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| |
Keywords |
A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL) |
|
| |
Abstract |
Dual active sites from acidic zeolite and Pd are not only capable of catalyzing multiple type of reactions, but could also generate unique functions owing to the synergy between metals and acidic sites. However, there are only a few reports on the investigation of the synergy of acid/Pd dual sites in TS-1. Herein, TS-1 confined Pd catalyst with mesoporous silica shell (Pd@TS-1 @meso-SiO2) has been successfully synthesized and its synergy effect contributes to the enhanced conversion rate (19.2%) and selectivity (74.7%) on styrene oxidation. The interaction between Pd and TS-1 has been investigated by EPR and 1H NMR techniques, the experimental measurements show an obvious change in the signal distribution of weakly acidic terminal hydroxyls and hydrogen-bonding silanols. The schematic illustration of selective styrene oxidation in the model of Pd@TS-1 @meso-SiO2 is proposed to clarify the synergistic effect on styrene oxidation between TS-1 and Pd nanoparticles at an atomic-/nanoscale. |
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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 |
001015700000001 |
Publication Date |
2022-12-28 |
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Series Editor |
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Series Title |
|
Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0926-860x |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
5.5 |
Times cited |
|
Open Access |
Not_Open_Access |
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| |
Notes |
|
Approved |
Most recent IF: 5.5; 2023 IF: 4.339 |
|
| |
Call Number |
UA @ admin @ c:irua:197805 |
Serial |
8826 |
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| Permanent link to this record |
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| |
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Author |
Geukens, I.; Vermoortele, F.; Meledina, M.; Turner, S.; Van Tendeloo, G.; De Vos, D.E. |
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| |
Title |
Ag nanoparticles on mixed Al2O3-Ga2O3 supports as catalysts for the N-alkylation of amines with alcohols |
Type |
A1 Journal article |
| |
Year |
2014 |
Publication |
Applied catalysis : A : general |
Abbreviated Journal |
Appl Catal A-Gen |
|
| |
Volume |
469 |
Issue |
|
Pages |
373-379 |
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| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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| |
Abstract |
The combination of AgNO3 with NaH results in Ag nanoparticles that can selectively perform alcohol aminations under mild reaction conditions (110 °C). NaH not only serves as a reducing agent for the Ag salt, but also activates the alcohol for dehydrogenation to the corresponding ketone/aldehyde. The stability of the particles can be improved by immobilizing them onto mixed Al2O3Ga2O3 supports; the combination of Ga and Al provides materials with stronger Lewis acidic sites compared to pure alumina or gallium oxide supports. This leads to catalysts with enhanced activities, without the necessity of adding external Lewis acids. Detailed TEM characterization also reveals a close interaction between the Ag NPs and the gallium oxide phase. The obtained catalysts are recyclable and show activity for the alcohol amination using a variety of aliphatic and aromatic amines under mild conditions. |
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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 |
Amsterdam |
Editor |
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| |
Language |
|
Wos |
000329266500045 |
Publication Date |
2013-10-10 |
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Series Editor |
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Series Title |
|
Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0926-860X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
4.339 |
Times cited |
24 |
Open Access |
|
|
| |
Notes |
|
Approved |
Most recent IF: 4.339; 2014 IF: 3.942 |
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| |
Call Number |
UA @ lucian @ c:irua:111095 |
Serial |
83 |
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| Permanent link to this record |
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| |
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Author |
Zhao, Q.; Lorenz, H.; Turner, S.; Lebedev, O.I.; Van Tendeloo, G.; Rameshan, C.; Klötzer, B.; Konzett, J.; Penner, S. |
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| |
Title |
Catalytic characterization of pure SnO2 and GeO2 in methanol steam reforming |
Type |
A1 Journal article |
| |
Year |
2010 |
Publication |
Applied catalysis : A : general |
Abbreviated Journal |
Appl Catal A-Gen |
|
| |
Volume |
375 |
Issue |
2 |
Pages |
188-195 |
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| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
|
| |
Abstract |
Structural changes of a variety of different SnO, SnO2 and GeO2 catalysts upon reduction in hydrogen were correlated with associated catalytic changes in methanol steam reforming. Studied systems include SnO, SnO2 and GeO2 thin film model catalysts prepared by vapour phase deposition and growth on polycrystalline NaCl surfaces and, for comparison, the corresponding pure oxide powder catalysts. Reduction of both the SnO2 thin film and powder at around 673 K in 1 bar hydrogen leads to a substantial reduction of the bulk structure and yields a mixture of SnO2 and metallic β-Sn. On the powder catalyst this transformation is fully reversible upon oxidation in 1 bar O2 at 673 K. Strongly reduced thin films, however, can only be re-transformed to SnO2 if the reduction temperature did not exceed 573 K. For GeO2, the situation is more complex due to its polymorphism. Whereas the tetragonal phase is structurally stable during reduction, oxidation or catalytic reaction, a small part of the hexagonal phase is always transformed into the tetragonal at 673 K independent of the gas phase used. SnO2 is highly active and CO2 selective in methanol steam reforming, but the initial high activity drops considerably upon reduction between 373 and 573 K and almost complete catalyst deactivation is observed after reduction at 673 K, which is associated with the parallel formation of β-Sn. In close correlation to the structural results, the catalytic activity and selectivity can be restored upon an oxidative catalyst regeneration at 673 K. Tetragonal GeO2 exhibits only a small activity and no pronounced selectivity to either CO or CO2, at least after reduction. In its fully oxidized state release of surface/lattice oxygen results in a non-catalytic formation of CO2 by oxidation of CO originating from catalytic dehydrogenation. |
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Address |
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Corporate Author |
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Thesis |
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| |
Publisher |
|
Place of Publication |
Amsterdam |
Editor |
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| |
Language |
|
Wos |
000275580600002 |
Publication Date |
2010-01-15 |
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| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
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| |
ISSN |
0926-860X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
4.339 |
Times cited |
20 |
Open Access |
|
|
| |
Notes |
Esteem 026019 |
Approved |
Most recent IF: 4.339; 2010 IF: 3.384 |
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| |
Call Number |
UA @ lucian @ c:irua:81741 |
Serial |
292 |
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| Permanent link to this record |
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| |
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Author |
Lorenz, H.; Zhao, Q.; Turner, S.; Lebedev, O.I.; Van Tendeloo, G.; Kloetzer, B.; Rameshan, C.; Pfaller, K. |
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| |
Title |
Origin of different deactivation of Pd/SnO2 and Pd/GeO2 catalysts in methanol dehydrogenation and reforming: a comparative study |
Type |
A1 Journal article |
| |
Year |
2010 |
Publication |
Applied catalysis : A : general |
Abbreviated Journal |
Appl Catal A-Gen |
|
| |
Volume |
381 |
Issue |
1/2 |
Pages |
242-252 |
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| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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| |
Abstract |
Pd particles supported on SnO2 and GeO2 have been structurally investigated by X-ray diffraction, (High-Resolution) transmission and scanning electron microscopy after different reductive treatments to monitor the eventual formation of bimetallic phases and catalytically tested in methanol dehydrogenation/ reforming. For both oxides this included a thin film sample with well-defined Pd particles and a powder catalyst prepared by incipient wetness impregnation. The hexagonal and the tetragonal polymorph were studied for powder GeO2. Pd2Ge formation was observed on all GeO2-supported catalysts, strongly depending on the specific sample used. Reduction of the thin film at 573K resulted in full transformation into the bimetallic state. The partial solubility of hexagonal GeO2 in water and its thermal structural instability yielded Pd2Ge formation at 473 K, at the cost of a structurally inhomogeneous support and Ge metal formation at higher reduction temperatures. Pd on tetragonal GeO2 entered a state of strong metalsupport interaction after reduction at 573673 K, resulting in coalescing Pd2Ge particles on a sintered and re-crystallized support, apparently partially covering the bimetallic particles and decreasing the catalytic activity. Pd2Ge on amorphous thin film and hexagonal GeO2 converted methanol primarily via dehydrogenation to CO and H2. At 573 K, formation of Pd2Sn and also PdSn occurred on the Pd/SnO2 thin film. Pd3Sn2 (and to some extent Pd2Sn) were predominantly obtained on the respective powder catalyst. Strong deactivation with increasing reduction temperature was observed, likely not based on the classical strong metalsupport interaction effect, but rather on a combination of missing active structural ensembles on Sn-enriched bimetallic phases and the formation of metallic -Sn. Correlations to Pd and its bimetallics supported on ZnO, Ga2O3 and In2O3 were also discussed. |
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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 |
Amsterdam |
Editor |
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Language |
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Wos |
000279100700029 |
Publication Date |
2010-04-26 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
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| |
ISSN |
0926-860X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
4.339 |
Times cited |
14 |
Open Access |
|
|
| |
Notes |
Esteem 026019 |
Approved |
Most recent IF: 4.339; 2010 IF: 3.384 |
|
| |
Call Number |
UA @ lucian @ c:irua:83927 |
Serial |
2522 |
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| Permanent link to this record |
| |
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| |
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Author |
Lorenz, H.; Turner, S.; Lebedev, O.I.; Van Tendeloo, G.; Klötzer, B.; Rameshan, C.; Pfaller, K.; Penner, S. |
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| |
Title |
Pd-In2O3 interaction due to reduction in hydrogen: consequences for methanol steam reforming |
Type |
A1 Journal article |
| |
Year |
2010 |
Publication |
Applied catalysis : A : general |
Abbreviated Journal |
Appl Catal A-Gen |
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| |
Volume |
374 |
Issue |
1/2 |
Pages |
180-188 |
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| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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| |
Abstract |
Two different Pd/In2O3 samples including a thin film model catalyst with well-defined Pd particles grown on NaCl(0 0 1) supports and a powder catalyst prepared by an impregnation technique are examined by electron microscopy, X-ray diffraction and catalytic measurements in methanol steam reforming in order to correlate the formation of different oxide-supported bimetallic PdIn phases with catalytic activity and selectivity. A PdIn shell around the Pd particles is observed on the thin film catalyst after embedding the Pd particles in In2O3 at 300 K, likely because alloying to PdIn and oxidation to In2O3 are competing processes. Increased PdIn bimetallic formation is observed up to 573 K reduction temperature until at 623 K the film stability limit in hydrogen is reached. Oxidative treatments at 573 K lead to decomposition of PdIn and to the formation of an In2O3 shell covering the Pd particles, which irreversibly changes the activity and selectivity pattern to clean In2O3. PdIn and Pd2In3 phases are obtained on the powder catalyst after reduction at 573 K and 673 K, respectively. Only CO2-selective methanol steam reforming is observed in the reduction temperature range between 473 K and 573 K. After reduction at 673 K encapsulation of the bimetallic particles by crystalline In2O3 suppresses CO2 formation and only activity and selectivity of clean In2O3 are measured. |
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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 |
Amsterdam |
Editor |
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| |
Language |
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Wos |
000274869900023 |
Publication Date |
2009-12-18 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
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| |
ISSN |
0926-860X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
4.339 |
Times cited |
55 |
Open Access |
|
|
| |
Notes |
Esteem 026019 |
Approved |
Most recent IF: 4.339; 2010 IF: 3.384 |
|
| |
Call Number |
UA @ lucian @ c:irua:81801 |
Serial |
3553 |
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| Permanent link to this record |
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| |
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Author |
Rezaei, M.; Saey, T.; Seuntjens, P.; Joris, I.; Boenne, W.; Van Meirvenne, M.; Cornelis, W. |
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| |
Title |
Predicting saturated hydraulic conductivity in a sandy grassland using proximally sensed apparent electrical conductivity |
Type |
A1 Journal article |
| |
Year |
2016 |
Publication |
Journal of applied geophysics |
Abbreviated Journal |
|
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| |
Volume |
126 |
Issue |
|
Pages |
35-41 |
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| |
Keywords |
A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL) |
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| |
Abstract |
Finding a correspondence between soil hydraulic properties, such as saturated hydraulic conductivity (Ks) and apparent electrical conductivity (ECa) as an easily measurable parameter, may be a way forward to estimate the spatial distribution of hydraulic properties at the field scale. In this study, the spatial distributions of Ks, of soil ECa measured by a DUALEM-21S sensor and of soil physical properties were investigated in a sandy grassland. To predict field scale Ks, the statistical relationship between co-located soil Ks, and EMI-ECa was evaluated. Results demonstrated the large spatial variability of all studied properties with Ks being the most variable one (CV = 86.21%) followed by ECa (CV >= 53.77%). A significant negative correlation was found between In-transformed Ks and ECa (r = 0.83; P <= 0.01) at two depths of exploration (0-50 and 0-100 cm). This site specific relation between In Ks and ECa was used to predict saturated hydraulic conductivity over 0-50 cm depth for the whole field. The empirical relation was validated using an independent dataset of measured Ks. The statistical results demonstrate the robustness of this empirical relation with mean estimation error MEE = 0.46 (cm h(-1)), root-mean-square estimation errors RMSEE = 0.74 (cm h(-1)), coefficient of determination r(2) = 0.67 and coefficient of model efficiency Ce = 0.64. The relationship was then used to produce a detailed map of Ks for the whole field. The result will allow model predictions of spatially distributed water content in view of irrigation management. (C) 2016 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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Editor |
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Language |
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Wos |
000371361200004 |
Publication Date |
2016-01-17 |
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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 |
0926-9851 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
|
Times cited |
|
Open Access |
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| |
Notes |
|
Approved |
no |
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| |
Call Number |
UA @ admin @ c:irua:132349 |
Serial |
8403 |
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| Permanent link to this record |
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Author |
Berdiyorov, G.R.; Madjet, M.E.; El-Mellouhi, F.; Peeters, F.M. |
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| |
Title |
Effect of crystal structure on the electronic transport properties of the organometallic perovskite CH3NH3PbI3 |
Type |
A1 Journal article |
| |
Year |
2016 |
Publication |
Solar energy materials and solar cells
T2 – 2nd International Renewable and Sustainable Energy Conference (IRSEC), OCT 17-19, 2014, Ouarzazate, MOROCCO |
Abbreviated Journal |
Sol Energ Mat Sol C |
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| |
Volume |
148 |
Issue |
148 |
Pages |
60-66 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
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| |
Abstract |
Using density-functional theory in combination with the nonequilibrium Green's function formalism, we study the effect of the crystal lattice structure of organometallic perovskite CH3NH3PbI3 on its electronic transport properties. Both dispersive interactions and spin-orbit coupling are taken into account in describing structural and electronic properties of the system. We consider two different phases of the material, namely the orthorhombic and cubic lattice structures, which are energetically stable at low (< 160 K) and high (> 330 K) temperatures, respectively. The sizable geometrical differences between the two structures in term of lattice parameters, PbI6 octahedral tilts, rotation and deformations, have considerable impact on the transport properties of the material. For example, at zero bias and for all considered electron energies, the cubic phase has a larger transmission than the orthorhombic one, although both show similar electronic densities of states. Depending on the applied voltage, the current in the cubic system can be several orders of magnitude larger as compared to the one obtained for the orthorhombic sample. We attribute this enhancement in the transmission to the presence of extended states in the cubic phase due to the symmetrically shaped and ordered PbI6 octaherdra. (C) 2015 Elsevier B.V. All rights reserved. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
Elsevier science bv |
Place of Publication |
Amsterdam |
Editor |
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| |
Language |
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Wos |
000371944500011 |
Publication Date |
2015-11-06 |
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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 |
|
Edition |
|
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| |
ISSN |
0927-0248 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
4.784 |
Times cited |
16 |
Open Access |
|
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| |
Notes |
; ; |
Approved |
Most recent IF: 4.784 |
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| |
Call Number |
UA @ lucian @ c:irua:133151 |
Serial |
4163 |
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| Permanent link to this record |
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| |
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Author |
Berdiyorov, G.R.; El-Mellouhi, F.; Madjet, M.E.; Alharbi, F.H.; Peeters, F.M.; Kais, S. |
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| |
Title |
Effect of halide-mixing on the electronic transport properties of organometallic perovskites |
Type |
A1 Journal article |
| |
Year |
2016 |
Publication |
Solar energy materials and solar cells
T2 – 2nd International Renewable and Sustainable Energy Conference (IRSEC), OCT 17-19, 2014, Ouarzazate, MOROCCO |
Abbreviated Journal |
Sol Energ Mat Sol C |
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| |
Volume |
148 |
Issue |
148 |
Pages |
2-10 |
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| |
Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
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| |
Abstract |
Using density-functional theory in combination with the nonequilibrium Green's function formalism, we study the effect of iodide/chloride and iodide/bromide mixing on the electronic transport in lead based organometallic perovskite CH3NH3PbI3, which is known to be an effective tool to tune the electronic and optical properties of such materials. We found that depending on the level and position of the halide mixing, the electronic transport can be increased by more than a factor of 4 for a given voltage biasing. The largest current is observed for small concentration of bromide substitutions located at the equatorial sites. However, full halide substitution has a negative effect on the transport properties of this material: the current drops by an order of magnitude for both CH3NH3PbCl3 and CH3NH3PbBr3 samples. (C) 2015 Elsevier B.V. All rights reserved. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
Elsevier science bv |
Place of Publication |
Amsterdam |
Editor |
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| |
Language |
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Wos |
000371944500002 |
Publication Date |
2015-12-18 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
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Edition |
|
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| |
ISSN |
0927-0248 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
4.784 |
Times cited |
23 |
Open Access |
|
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| |
Notes |
; ; |
Approved |
Most recent IF: 4.784 |
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| |
Call Number |
UA @ lucian @ c:irua:133150 |
Serial |
4165 |
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| Permanent link to this record |
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Author |
Carraro, G.; Maccato, C.; Gasparotto, A.; Warwick, M.E.A.; Sada, C.; Turner, S.; Bazzo, A.; Andreu, T.; Pliekhova, O.; Korte, D.; Lavrenčič Štangar, U.; Van Tendeloo, G.; Morante, J.R.; Barreca, D. |
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| |
Title |
Hematite-based nanocomposites for light-activated applications: Synergistic role of TiO2 and Au introduction |
Type |
A1 Journal article |
| |
Year |
2017 |
Publication |
Solar energy materials and solar cells |
Abbreviated Journal |
Sol Energ Mat Sol C |
|
| |
Volume |
159 |
Issue |
159 |
Pages |
456-466 |
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| |
Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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| |
Abstract |
Photo-activated processes have been widely recognized as cost-effective and environmentally friendly routes for both renewable energy generation and purification/cleaning technologies. We report herein on a plasma- assisted approach for the synthesis of Fe 2 O 3 -TiO 2 nanosystems functionalized with Au nanoparticles. Fe 2 O 3 nanostructures were grown by plasma enhanced-chemical vapor deposition, followed by the sequential sputtering of titanium and gold under controlled conditions, and final annealing in air. The target nanosystems were subjected to a thorough multi-technique characterization, in order to elucidate the interrelations between their chemico-physical properties and the processing conditions. Finally, the functional performances were preliminarily investigated in both sunlight-assisted H 2 O splitting and photocatalytic activity tests in view of self- cleaning applications. The obtained results highlight the possibility of tailoring the system behaviour and candidate the present Fe 2 O 3 -TiO 2 -Au nanosystems as possible multi-functional low-cost platforms for light-activated processes. |
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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 |
000388053600053 |
Publication Date |
2016-10-07 |
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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 |
0927-0248 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
4.784 |
Times cited |
15 |
Open Access |
Not_Open_Access |
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| |
Notes |
The research leading to these results has received funding from the FP7 project “SOLAROGENIX” (NMP4-SL-2012-310333), as well as from Padova University ex-60% 2013-2016 projects, grant no. CPDR132937/13 (SOLLEONE) and the post-doc fellowship ACTION. INFINITY project in the framework of the EU Erasmus Mundus Action 2 is also acknowledged to provide a Ph.D. financial support as well as Slovenian Research Agency (program P2-0377). The authors are grateful to Dr. E. Toniato (Department of Chemistry, Padova University, Italy) for synthetic assistance and to Prof. E. Bontempi and Dr. M. Brisotto (Chemistry for Technologies Laboratory, Brescia University, Italy) for XRD analyses. |
Approved |
Most recent IF: 4.784 |
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| |
Call Number |
EMAT @ emat @ c:irua:135833 |
Serial |
4284 |
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| Permanent link to this record |
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| |
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Author |
D'Olieslaeger, L.; Pfannmöller, M.; Fron, E.; Cardinaletti, I.; Van der Auweraer, M.; Van Tendeloo, G.; Bals, S.; Maes, W.; Vanderzande, D.; Manca, J.; Ethirajan, A. |
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| |
Title |
Tuning of PCDTBT : PC71BM blend nanoparticles for eco-friendly processing of polymer solar cells |
Type |
A1 Journal article |
| |
Year |
2017 |
Publication |
Solar energy materials and solar cells |
Abbreviated Journal |
Sol Energ Mat Sol C |
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| |
Volume |
159 |
Issue |
159 |
Pages |
179-188 |
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| |
Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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| |
Abstract |
We report the controlled preparation of water processable nanoparticles (NPs) employing the push-pull polymer PCDTBT and the fullerene acceptor PC71BM in order to enable solar cell processing using eco-friendly solvent (i.e. water). The presented method provides the possibility to separate the formation of the active layer blend and the deposition of the active layer into two different processes. For the first time, the benefits of aqueous processability for the high-potential class of push-pull polymers, generally requiring high boiling solvents, are made accessible. With our method we demonstrate excellent control over the blend stoichiometry and efficient mixing. Furthermore, we provide visualization of the nano morphology of the different NPs to obtain structural information down to similar to 2 nm resolution using advanced analytical electron microscopy. The imaging directly reveals very small compositional demixing in the PCDTBT:PC71BM blend NPs, in the size range of about <5 nm, indicating fine mixing at the molecular level. The suitability of the proposed methodology and materials towards the aspects of eco-friendly processing of organic solar cells is demonstrated through a processing of lab scale NPs solar cell prototypes reaching a power conversion efficiency of 1.9%. (C) 2016 Elsevier B.V. All rights reserved. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Amsterdam |
Editor |
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Language |
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Wos |
000388053600021 |
Publication Date |
2016-09-19 |
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Series Editor |
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Series Title |
|
Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
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| |
ISSN |
0927-0248 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
4.784 |
Times cited |
32 |
Open Access |
OpenAccess |
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| |
Notes |
; This work was supported by BOF funding of Hasselt University, the Interreg project Organext, and the IAP 7/05 project FS2 (Functional Supramolecular Systems), granted by the Science Policy Office of the Belgian Federal Government (BELSPO). A.E. is a post-doctoral fellow of the Flanders Research Foundation (FWO). M.P. gratefully acknowledges the SIM NanoForce program for financial support. S.B. further acknowledges financial support from the European Research Council (ERC Starting Grant #335078-COLOURATOMS). The authors are thankful for technical support by J. Smits, T. Vangerven, and J. Baccus. ; ecas_sara |
Approved |
Most recent IF: 4.784 |
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| |
Call Number |
UA @ lucian @ c:irua:139157UA @ admin @ c:irua:139157 |
Serial |
4450 |
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| Permanent link to this record |
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| |
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Author |
Lizin, S.; Van Passel, S.; De Schepper, E.; Vranken, L. |
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| |
Title |
The future of organic photovoltaic solar cells as a direct power source for consumer electronics |
Type |
A1 Journal article |
| |
Year |
2012 |
Publication |
Solar Energy Materials And Solar Cells |
Abbreviated Journal |
Sol Energ Mat Sol C |
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| |
Volume |
103 |
Issue |
|
Pages |
1-10 |
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| |
Keywords |
A1 Journal article; Engineering sciences. Technology; Engineering Management (ENM) |
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| |
Abstract |
As the search for marketable photovoltaic solar cells continues, organic photovoltaic (OPV) solar cells have been identified as a technology with many attractive features for commercialization. Most photovoltaic technologies on the market today were improved in the consumer electronics market segment. A similar evolution has been envisioned for OPV. Hence this paper investigates consumer preferences for solar cells directly powering consumer electronics. Choice experiments were designed and responses were collected using a random sample of 300 individuals from the Flemish region (northern part of Belgium). Results allow for computation of attribute importance, willingness to pay (WTP), and simulation of theoretical market share. These measures point towards OPV being able to reach considerable market share in the long run, bearing in mind that efforts are first needed in elevating OPV's efficiency and lifetime as they most determine consumers' preferences. Price is found to be the least important product characteristic for OPV solar cells to be incorporated in consumer electronics devices. We therefore warn against generalizing attributes' importance across the boundaries of market segments. (C) 2012 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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Editor |
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Language |
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Wos |
000306044300001 |
Publication Date |
2012-05-03 |
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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 |
|
Series Issue |
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Edition |
|
|
| |
ISSN |
0927-0248 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
4.784 |
Times cited |
25 |
Open Access |
|
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| |
Notes |
; The authors would kindly want to express their gratitude towards every survey respondent and participant for their preliminary work. Also the authors are much obliged to INTERREG and the ORGANEXT project for their financial support, without which it would have been impossible to conduct this research. Last but not least, we would like to thank the reviewers for their insightful comments which allowed for fine tuning our work. ; |
Approved |
Most recent IF: 4.784; 2012 IF: 4.630 |
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Call Number |
UA @ admin @ c:irua:127556 |
Serial |
6267 |
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| Permanent link to this record |
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Author |
Lizin, S.; Van Passel, S.; Vranken, L. |
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Title |
Heterogeneity in the solar-powered consumer electronics market : a discrete choice experiments study |
Type |
A1 Journal article |
| |
Year |
2016 |
Publication |
Solar Energy Materials And Solar Cells |
Abbreviated Journal |
Sol Energ Mat Sol C |
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| |
Volume |
156 |
Issue |
|
Pages |
140-146 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Engineering Management (ENM) |
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Abstract |
Solar-powered consumer electronics are a likely starting point for organic photovoltaic (OPV) market development. Therefore, a generic discrete choice experiments study can determine how Flemish consumers value solar-cell characteristics for solar-poweied consumer electronics. Such characteristics include efficiency, lifetime, aesthetics, integratability, and price. We contribute to the literature by investigating preference heterogeneity in a solar-power niche market with an experimental design with a fixed reference alternative. The error components random parameter logit (ECRPL) with interactions provides a better fit than the latent class (LC) model for our choice data. The main effects had the expected signs. Consequently, aesthetics and integratability are OPV's assets. Nevertheless, heterogeneity puts the results that are valid for the average consumer into perspective. Based on our findings, OPV commercialization efforts should target the experienced, impatient user who highly values design and functionality. (C) 2016 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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Editor |
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Language |
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Wos |
000383304100015 |
Publication Date |
2016-06-27 |
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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 |
0927-0248 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
4.784 |
Times cited |
2 |
Open Access |
|
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| |
Notes |
; Sebastien Lizin thanks the Research Foundation Flanders (FWO) for funding his postdoctoral mandate with Grant number 12G5415N, without which it would have been impossible to revise this work. ; |
Approved |
Most recent IF: 4.784 |
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| |
Call Number |
UA @ admin @ c:irua:137107 |
Serial |
6207 |
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| Permanent link to this record |
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Author |
Erfurt, D.; Koida, T.; Heinemann, M.D.; Li, C.; Bertram, T.; Nishinaga, J.; Szyszka, B.; Shibata, H.; Klenk, R.; Schlatmann, R. |
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Title |
Impact of rough substrates on hydrogen-doped indium oxides for the application in CIGS devices |
Type |
A1 Journal article |
| |
Year |
2020 |
Publication |
Solar Energy Materials And Solar Cells |
Abbreviated Journal |
Sol Energ Mat Sol C |
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Volume |
206 |
Issue |
|
Pages |
110300 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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Abstract |
Indium oxide based transparent conductive oxides (TCOs) are promising contact layers in solar cells due to their outstanding electrical and optical properties. However, when applied in Cu(In,Ga)Se-2 or Si-hetero-junction solar cells the specific roughness of the material beneath can affect the growth and the properties of the TCO. We investigated the electrical properties of hydrogen doped and hydrogen-tungsten co-doped indium oxides grown on rough Cu(In,Ga)Se-2 samples as well as on textured and planar glass. At sharp ridges and V-shaped valleys crack-shaped voids form inside the indium oxide films, which limit the effective electron mobility of the In2O3:H and In2O3:H,W thin films. This was found for films deposited by magnetron sputtering and reactive plasma deposition at several deposition parameters, before as well as after annealing and solid phase crystallization. This suggests universal behavior that will have a wide impact on solar cell devices. |
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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 |
000519653800038 |
Publication Date |
2019-11-29 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
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Edition |
|
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| |
ISSN |
0927-0248 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
6.9 |
Times cited |
5 |
Open Access |
OpenAccess |
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Notes |
; This work was supported by the German Federal Ministry for Economic Affairs and Energy under contract number 0325762G (TCO4CIGS). The authors thank M. Hartig, K. Mayer-Stillrich, I. Dorbandt, B. Bunn, M. Kirsch for technical support. C. Li is grateful for financial support from Max Planck Society, Germany and technical support from the MPI FKF StEM group members. ; |
Approved |
Most recent IF: 6.9; 2020 IF: 4.784 |
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Call Number |
UA @ admin @ c:irua:168668 |
Serial |
6544 |
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Author |
Khelifi, S.; Brammertz, G.; Choubrac, L.; Batuk, M.; Yang, S.; Meuris, M.; Barreau, N.; Hadermann, J.; Vrielinck, H.; Poelman, D.; Neyts, K.; Vermang, B.; Lauwaert, J. |
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Title |
The path towards efficient wide band gap thin-film kesterite solar cells with transparent back contact for viable tandem application |
Type |
A1 Journal article |
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Year |
2021 |
Publication |
Solar Energy Materials And Solar Cells |
Abbreviated Journal |
Sol Energ Mat Sol C |
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Volume |
219 |
Issue |
|
Pages |
110824 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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Abstract |
Wide band gap thin-film kesterite solar cell based on non-toxic and earth-abundant materials might be a suitable candidate as a top cell for tandem configuration in combination with crystalline silicon as a bottom solar cell. For this purpose and based on parameters we have extracted from electrical and optical characterization techniques of Cu2ZnGeSe4 absorbers and solar cells, a model has been developed to describe the kesterite top cell efficiency limitations and to investigate the different possible configurations with transparent back contact for fourterminal tandem solar cell application. Furthermore, we have studied the tandem solar cell performance in view of the band gap and the transparency of the kesterite top cell and back contact engineering. Our detailed analysis shows that a kesterite top cell with efficiency > 14%, a band gap in the range of 1.5-1.7 eV and transparency above 80% at the sub-band gaps photons energies are required to achieve a tandem cell with higher efficiency than with a single silicon solar cell. |
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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 |
000591683500002 |
Publication Date |
2020-10-08 |
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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 |
0927-0248 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
4.784 |
Times cited |
|
Open Access |
OpenAccess |
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Notes |
The authors would like to acknowledge the SWInG project financed by the European Union’s Horizon 2020 research and innovation programme under grant agreement No 640868 and the Research Foundation Flanders-Hercules Foundation (FWO-Vlaanderen, project No AUGE/13/16:FT-IMAGER). |
Approved |
Most recent IF: 4.784 |
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| |
Call Number |
EMAT @ emat @c:irua:174337 |
Serial |
6706 |
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| Permanent link to this record |
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Author |
Tikhomirov, V.K.; Rodríguez, V.D.; Méndez-Ramos, J.; del- Castillo, J.; Kirilenko, D.; Van Tendeloo, G.; Moshchalkov, V.V. |
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Title |
Optimizing Er/Yb ratio and content in Er-Yb co-doped glass-ceramics for enhancement of the up- and down-conversion luminescence |
Type |
A1 Journal article |
| |
Year |
2012 |
Publication |
Solar energy materials and solar cells |
Abbreviated Journal |
Sol Energ Mat Sol C |
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Volume |
100 |
Issue |
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Pages |
209-215 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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Abstract |
Er3+Yb3+ co-doped transparent glass-ceramics with varying Er/Yb content and ratio have been prepared. High quantum yields for up- and down-conversion luminescence by energy transfer from Yb3+ to Er3+ and from Er3+ to Yb3+, respectively, have been detected and optimized with respect to the Er/Yb content and ratio, and proposed in particular for up- and down-conversion of solar spectrum for enhancement of the efficiency of solar cells. The rise and decay kinetics for the population of the excited levels of Er3+ and Yb3+ have been studied and fit. Based on these experimental data, the mechanisms for the energy transfers have been suggested with emphasis on the optimized Er/Yb content and ratio for enhancement of the efficiency of the Er3+↔Yb3+ energy transfers. |
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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 |
Amsterdam |
Editor |
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Language |
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Wos |
000303034700030 |
Publication Date |
2012-02-04 |
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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 |
0927-0248; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
4.784 |
Times cited |
66 |
Open Access |
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Notes |
Fwo |
Approved |
Most recent IF: 4.784; 2012 IF: 4.630 |
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Call Number |
UA @ lucian @ c:irua:97392 |
Serial |
2493 |
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Author |
Gaouyat, L.; He, Z.; Colomer, J.-F.; Lambin, P.; Mirabella, F.; Schryvers, D.; Deparis, O. |
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Title |
Revealing the innermost nanostructure of sputtered NiCrOx solar absorber cermets |
Type |
A1 Journal article |
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Year |
2014 |
Publication |
Solar energy materials and solar cells |
Abbreviated Journal |
Sol Energ Mat Sol C |
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Volume |
122 |
Issue |
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Pages |
303-308 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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Abstract |
Conversion of solar energy into thermal energy helps reducing consumption of non-renewable energies. Cermets (ceramicmetal composites) are versatile materials suitable, amongst other applications, for solar selective absorbers. Although the presence of metallic Ni particles in the dielectric matrix is a prerequisite for efficient solar selective absorption in NiCrOx cermets, no clear evidence of such particles is reported so far. By combining comprehensive chemical and structural analyses, we reveal the presumed nanostructure which is at the origin of the remarkable optical properties of this cermet material. Using sputtered NiCrOx layers in a solar absorber multilayer stack on aluminium substrate allows us to achieve solar absorptance as high as α=96.1% while keeping thermal emissivity as low as ε=2.2%, both values being comparable to best values recorded so far. With the nanostructure of sputtered NiCrOx cermets eventually revealed, further optimization of solar absorbers can be anticipated and technological exploitation of cermet materials in other applications can be foreseen. |
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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 |
000331494200040 |
Publication Date |
2013-11-12 |
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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 |
0927-0248; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
4.784 |
Times cited |
12 |
Open Access |
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Notes |
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Approved |
Most recent IF: 4.784; 2014 IF: 5.337 |
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Call Number |
UA @ lucian @ c:irua:113086 |
Serial |
2902 |
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| Permanent link to this record |
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Author |
Gonzalez-Garcia, A.; Lopez-Perez, W.; Rivera-Julio, J.; Peeters, F.M.; Mendoza-Estrada, V.; Gonzalez-Hernandez, R. |
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Title |
Structural, mechanical and electronic properties of two-dimensional structure of III-arsenide (111) binary compounds: An ab-initio study |
Type |
A1 Journal article |
| |
Year |
2018 |
Publication |
Computational materials science |
Abbreviated Journal |
Comp Mater Sci |
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Volume |
144 |
Issue |
144 |
Pages |
285-293 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Structural, mechanical and electronic properties of two-dimensional single-layer hexagonal structures in the (111) crystal plane of IIIAs-ZnS systems (III = B, Ga and In) are studied by first-principles calculations based on density functional theory (DFT). Elastic and phonon dispersion relation display that 2D h-IIIAs systems (III = B, Ga and In) are both mechanical and dynamically stable. Electronic structures analysis show that the semiconducting nature of the 3D-IIIAs compounds is retained by their 2D single layer counterpart. Furthermore, density of states reveals the influence of sigma and pi bonding in the most stable geometry (planar or buckled) for 2D h-IIIAs systems. Calculations of elastic constants show that the Young's modulus, bulk modulus and shear modulus decrease for 2D h-IIIAs binary compounds as we move down on the group of elements of the periodic table. In addition, as the bond length between the neighboring cation-anion atoms increases, the 2D h-IIIAs binary compounds display less stiffness and more plasticity. Our findings can be used to understand the contribution of the r and p bonding in the most stable geometry (planar or buckled) for 2D h-IIIAs systems. Structural and electronic properties of h-IIIAs systems as a function of the number of layers have been also studied. It is shown that h-BAs keeps its planar geometry while both h-GAs and h-InAs retained their buckled ones obtained by their single layers. Bilayer h-IIIAs present the same bandgap nature of their counterpart in 3D. As the number of layers increase from 2 to 4, the bandgap width for layered h-IIIAs decreases until they become semimetal or metal. Interestingly, these results are different to those found for layered h-GaN. The results presented in this study for single and few-layer h-IIIAs structures could give some physical insights for further theoretical and experimental studies of 2D h-IIIV-like systems. (C) 2017 Elsevier B.V. All rights reserved. |
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Corporate Author |
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Publisher |
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Place of Publication |
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Wos |
000424902300036 |
Publication Date |
2017-12-29 |
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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 |
0927-0256 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.292 |
Times cited |
3 |
Open Access |
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Notes |
; This work has been carried out by the financial support of Universidad del Norte and Colciencias (Administrative Department of Science, Technology and Research of Colombia) under Convocatoria 712 – Convocatoria para proyectos de investigacion en Ciencias Basicas, ano 2015, Cod: 121571250192, Contrato 110-216. ; |
Approved |
Most recent IF: 2.292 |
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| |
Call Number |
UA @ lucian @ c:irua:149897UA @ admin @ c:irua:149897 |
Serial |
4949 |
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| Permanent link to this record |
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Author |
Grubova, I.Y.; Surmeneva, M.A.; Huygh, S.; Surmenev, R.A.; Neyts, E.C. |
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Title |
Effects of silicon doping on strengthening adhesion at the interface of the hydroxyapatite-titanium biocomposite : a first-principles study |
Type |
A1 Journal article |
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Year |
2019 |
Publication |
Computational materials science |
Abbreviated Journal |
Comp Mater Sci |
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Volume |
159 |
Issue |
159 |
Pages |
228-234 |
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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 paper we employ first-principles calculations to investigate the effect of substitutional Si doping in the amorphous calcium-phosphate (a-HAP) structure on the work of adhesion, integral charge transfer, charge density difference and theoretical tensile strengths between an a-HAP coating and amorphous titanium dioxide (a-TiO2) substrate systemically. Our calculations demonstrate that substitution of a P atom by a Si atom in a-HAP (a-Si-HAP) with the creation of OH-vacancies as charge compensation results in a significant increase of the bonding strength of the coating to the substrate. The work of adhesion of the optimized Si-doped interfaces reaches a value of up to -2.52 J m(-2), which is significantly higher than for the stoichiometric a-HAP/a-TiO2. Charge density difference analysis indicates that the dominant interactions at the interface have significant covalent character, and in particular two Ti-O and three Ca-O bonds are formed for a-Si-HAP/a-TiO2 and one Ti-O and three Ca-O bonds for a-HAP/a-TiO2. From the stress-strain curve, the Young's modulus of a-Si-HAP/a-TiO2 is calculated to be about 25% higher than that of the a-HAP/a-TiO2, and the yielding stress is about 2 times greater than that of the undoped model. Our calculations therefore demonstrate that the presence of Si in the a-HAP structure strongly alters not only the bioactivity and resorption rates, but also the mechanical properties of the a-HAP/a-TiO2 interface. The results presented here provide an important theoretical insight into the nature of the chemical bonding at the a-HAP/a-TiO2 interface, and are particularly significant for the practical medical applications of HAP-based biomaterials. |
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Wos |
000457856900023 |
Publication Date |
2018-12-18 |
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Edition |
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ISSN |
0927-0256 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.292 |
Times cited |
1 |
Open Access |
Not_Open_Access |
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Notes |
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Approved |
Most recent IF: 2.292 |
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Call Number |
UA @ admin @ c:irua:157480 |
Serial |
5272 |
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| Permanent link to this record |
