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Records |
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Author |
Alloul, A.; Cerruti, M.; Adamczyk, D.; Weissbrodt, D.G.; Vlaeminck, S.E. |
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Title |
Operational strategies to selectively produce purple bacteria for microbial protein in raceway reactors |
Type |
A1 Journal article |
| |
Year |
2021 |
Publication |
Environmental Science & Technology |
Abbreviated Journal |
Environ Sci Technol |
| |
Volume |
55 |
Issue |
12 |
Pages |
8278-8286 |
| |
Keywords |
A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL) |
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Abstract |
Purple non-sulfur bacteria (PNSB) show potential for microbial protein production on wastewater as animal feed. They offer good selectivity (i.e., low microbial diversity and high abundance of one species) when grown anaerobically in the light. However, the cost of closed anaerobic photobioreactors is prohibitive for protein production. Although open raceway reactors are cheaper, their feasibility to selectively grow PNSB is thus far unexplored. This study developed operational strategies to boost PNSB abundance in the biomass of a raceway reactor fed with volatile fatty acids. For a flask reactor run at a 2 day sludge retention time (SRT), matching the chemical oxygen demand (COD) loading rate to the removal rate in the light period prevented substrate availability during the dark period and increased the PNSB abundance from 50-67 to 88-94%. A raceway reactor run at a 2 day SRT showed an increased PNSB abundance from 14 to 56% when oxygen supply was reduced (no stirring at night). The best performance was achieved at the highest surface-to-volume ratio (10 m(2) m(-3) increased light availability) showing productivities up to 0.2 g protein L-1 day(-1) and a PNSB abundance of 78%. This study pioneered in PNSB-based microbial protein production in raceway reactors, yielding high selectivity while avoiding the combined availability of oxygen, COD, and darkness. |
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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 |
000663939900051 |
Publication Date |
2021-06-04 |
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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 |
|
Series Issue |
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Edition |
|
| |
ISSN |
0013-936x; 1520-5851 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor  |
6.198 |
Times cited |
|
Open Access |
OpenAccess |
| |
Notes |
|
Approved |
Most recent IF: 6.198 |
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Call Number |
UA @ admin @ c:irua:179768 |
Serial |
8334 |
| Permanent link to this record |
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Author |
Ciocarlan, R.-G.; Seftel, E.M.; Gavrila, R.; Suchea, M.; Batuk, M.; Mertens, M.; Hadermann, J.; Cool, P. |
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Title |
Spinel nanoparticles on stick-like Freudenbergite nanocomposites as effective smart-removal photocatalysts for the degradation of organic pollutants under visible light |
Type |
A1 Journal article |
| |
Year |
2020 |
Publication |
Journal Of Alloys And Compounds |
Abbreviated Journal |
J Alloy Compd |
| |
Volume |
820 |
Issue |
|
Pages |
153403 |
| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Laboratory of adsorption and catalysis (LADCA) |
| |
Abstract |
A series of mixed nanocomposite materials was synthetized, containing a Ferrite phase type Zn1-xNixFe2O4 and a Freudenbergite phase type Na2Fe2Ti6O16, where x = 0; 0.2; 0.4; 0.6; 0.8; 1. The choice for this combination is based on the good adsorption properties of Freudenbergite for dye molecules, and the small bandgap energy of Ferrite spinel, allowing activation of the catalysts under visible light irradiation. A two steps synthesis protocol was used to obtain the smart-removal nanocomposites. Firstly, the spinel structure was obtained via the co-precipitation route followed by the addition of the Ti-source and formation of the Freudenbergite system. The role of cations on the formation mechanism and an interesting interchange of cations between spinel and Freudenbergite structures was clarified by a TEM study. Part of the Ti4+ penetrated the spinel structure and, at the same time, part of the Fe3+ formed the Freudenbergite system. The photocatalytic activity was studied under visible light, reaching for the best catalysts a 67% and 40% mineralization degree for methylene blue and rhodamine 6G respectively, after 6 h of irradiation. In the same conditions, the well-known commercial P25 (Degussa) managed to mineralize only 12% and 3% of methylene blue and rhodamine 6G, respectively. Due to the remarkable magnetic properties of Ferrites, a convenient recovery and reuse of the catalysts is possible after the photocatalytic tests. Based on the excellent catalytic performance of the nanocomposites under visible light and their ease of separation out of the solution after the catalytic reaction, the newly developed composite catalysts are considered very effective for wastewater treatment. |
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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 |
000507854700130 |
Publication Date |
2019-12-15 |
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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 |
|
| |
ISSN |
0925-8388 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| |
Impact Factor |
6.2 |
Times cited |
|
Open Access |
OpenAccess |
| |
Notes |
The authors acknowledge the FWO-Flanders (project nr. G038215N) for financial support. |
Approved |
Most recent IF: 6.2; 2020 IF: 3.133 |
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Call Number |
EMAT @ emat @c:irua:166447 |
Serial |
6342 |
| Permanent link to this record |
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Author |
Vladimirova, N.V.; Frolov, A.S.; Sanchez-Barriga, J.; Clark, O.J.; Matsui, F.; Usachov, D.Y.; Muntwiler, M.; Callaert, C.; Hadermann, J.; Neudachina, V.S.; Tamm, M.E.; Yashina, L.V. |
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Title |
Occupancy of lattice positions probed by X-ray photoelectron diffraction : a case study of tetradymite topological insulators |
Type |
A1 Journal article |
| |
Year |
2023 |
Publication |
Surfaces and interfaces |
Abbreviated Journal |
|
| |
Volume |
36 |
Issue |
|
Pages |
102516-10 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
Occupancy of different structural positions in a crystal lattice often seems to play a key role in material prop-erties. Several experimental techniques have been developed to uncover this issue, all of them being mostly bulk sensitive. However, many materials including topological insulators (TIs), which are among the most intriguing modern materials, are intended to be used in devices as thin films, for which the sublattice occupancy may differ from the bulk. One of the possible approaches to occupancy analysis is X-ray Photoelectron Diffraction (XPD), a structural method in surface science with chemical sensitivity. We applied this method in a case study of Sb2(Te1-xSex)3 mixed crystals, which belong to prototypical TIs. We used high-angle annular dark field (HAADF) scanning transmission electron microscopy (STEM) as a reference method to verify our analysis. We revealed that the XPD data for vacuum cleaved bulk crystals are in excellent agreement with the reference ones. Also, we demonstrate that the anion occupancy near a naturally formed surface can be rather different from that of the bulk. The present results are relevant for a wide range of compositions where the system remains a topological phase, as we ultimately show by probing the transiently occupied topological surface state above the Fermi level by ultrafast photoemission. |
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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 |
000901694900001 |
Publication Date |
2022-11-28 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
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Edition |
|
| |
ISSN |
2468-0230 |
ISBN |
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Additional Links |
UA library record; WoS full record |
| |
Impact Factor |
6.2 |
Times cited |
|
Open Access |
OpenAccess |
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Notes |
|
Approved |
Most recent IF: 6.2; 2023 IF: NA |
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Call Number |
UA @ admin @ c:irua:193502 |
Serial |
7327 |
| Permanent link to this record |
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Author |
Surmenev, R.A.; Grubova, I.Y.; Neyts, E.; Teresov, A.D.; Koval, N.N.; Epple, M.; Tyurin, A.I.; Pichugin, V.F.; Chaikina, M.V.; Surmeneva, M.A. |
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Title |
Ab initio calculations and a scratch test study of RF-magnetron sputter deposited hydroxyapatite and silicon-containing hydroxyapatite coatings |
Type |
A1 Journal article |
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Year |
2020 |
Publication |
Surfaces and interfaces |
Abbreviated Journal |
|
| |
Volume |
21 |
Issue |
|
Pages |
|
| |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
A crucial property for implants is their biocompatibility. To ensure biocompatibility, thin coatings of hydroxyapatite (HA) are deposited on the actual implant. In this study, we investigate the effects of the addition of silicate anions to the structure of hydroxyapatite coatings on their adhesion strength via a scratch test and ab initio calculations. We find that both the grain size and adhesion strength decrease with the increase in the silicon content in the HA coating (SiHA). The increase in the silicon content to 1.2 % in the HA coating leads to a decrease in the average crystallite size from 28 to 21 nm, and in the case of 4.6 %, it leads to the formation of an amorphous or nanocrystalline film. The decreases in the grain and crystallite sizes lead to peeling and destruction of the coating from the titanium substrate at lower loads. Further, our ab initio simulations demonstrate an increased number of molecular bonds at the amorphous SiHA-TiO2 interface. However, the experimental results revealed that the structure and grain size have more pronounced effects on the adhesion strength of the coatings. In conclusion, based on the results of the ab initio simulations and the experimental results, we suggest that the presence of Si in the form of silicate ions in the HA coating has a significant impact on the structure, grain size, and number of molecular bonds at the interface and on the adhesion strength of the SiHA coating to the titanium substrate. |
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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 |
000697616300009 |
Publication Date |
2020-10-02 |
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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 |
2468-0230 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
| |
Impact Factor |
6.2 |
Times cited |
|
Open Access |
|
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Notes |
|
Approved |
Most recent IF: 6.2; 2020 IF: NA |
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Call Number |
UA @ admin @ c:irua:181685 |
Serial |
7400 |
| Permanent link to this record |
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Author |
Baez, J.F.; Compton, M.; Chahrati, S.; Cánovas, R.; Blondeau, P.; Andrade, F.J. |
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Title |
Controlling the mixed potential of polyelectrolyte-coated platinum electrodes for the potentiometric detection of hydrogen peroxide |
Type |
A1 Journal article |
| |
Year |
2020 |
Publication |
Analytica Chimica Acta |
Abbreviated Journal |
Anal Chim Acta |
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Volume |
1097 |
Issue |
|
Pages |
204-213 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Abstract |
The use of a Pt electrode coated with a layer of Nafion has been described in previous works as an attractive way to perform the potentiometric detection of hydrogen peroxide. Despite of the attractive features of this approach, the nature of the non-Nernstian response of this system was not properly addressed. In this work, using a mixed potential model, the open circuit potential of the Pt electrode is shown to be under kinetic control of the oxygen reduction reaction (ORR). It is proposed that hydrogen peroxide acts as an oxygenated species that blocks free sites on the Pt surface, interfering with the ORR. Therefore, the effect of the polyelectrolyte coating can be understood in terms of the modulation of the factors that affects the kinetics of the ORR, such as an increase of the H+ concentration, minimization of the effect of the spectator species, etc. Because of the complexity and the lack of models that accurately describe systems with practical applications, this work is not intended to provide a mechanistic but rather a phenomenological view on problem. A general framework to understand the factors that affect the potentiometric response is provided. Experimental evidence showing that the use of polyelectrolyte coatings are a powerful way to control the mixed potential open new ways for the development of robust and simple potentiometric sensors. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
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Publication Date |
2019-11-13 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
|
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ISSN |
0003-2670; 1873-4324 |
ISBN |
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Additional Links |
UA library record |
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Impact Factor |
6.2 |
Times cited |
|
Open Access |
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Notes |
|
Approved |
Most recent IF: 6.2; 2020 IF: 4.95 |
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Call Number |
UA @ admin @ c:irua:184381 |
Serial |
7731 |
| Permanent link to this record |
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Author |
Khalilov, U.; Yusupov, M.; Eshonqulov, Gb.; Neyts, Ec.; Berdiyorov, Gr. |
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Title |
Atomic level mechanisms of graphene healing by methane-based plasma radicals |
Type |
A1 Journal article |
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Year |
2023 |
Publication |
FlatChem |
Abbreviated Journal |
FlatChem |
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Volume |
39 |
Issue |
|
Pages |
100506 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000990342500001 |
Publication Date |
2023-04-19 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
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Edition |
|
| |
ISSN |
2452-2627 |
ISBN |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
6.2 |
Times cited |
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Open Access |
OpenAccess |
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Notes |
U.K., M.Y. and G.B.E. acknowledge the support of the Agency for Innovative Development of the Republic of Uzbekistan (Grant numbers F-FA-2021-512 and FZ-2020092435). The computational resources and services used in this work were partially provided by the HPC core facility CalcUA of the Universiteit Antwerpen and VSC (Flemish Supercomputer Center), funded by the FWO and the Flemish Government. |
Approved |
Most recent IF: 6.2; 2023 IF: NA |
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Call Number |
PLASMANT @ plasmant @c:irua:197442 |
Serial |
8813 |
| Permanent link to this record |
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Author |
Ozdemir, I.; Arkin, H.; Milošević, M.V.; V. Barth, J.; Aktuerk, E. |
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Title |
Exploring the adsorption mechanisms of neurotransmitter and amino acid on Ti3C2-MXene monolayer : insights from DFT calculations |
Type |
A1 Journal article |
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Year |
2024 |
Publication |
Surfaces and interfaces |
Abbreviated Journal |
|
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Volume |
46 |
Issue |
|
Pages |
104169-9 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
In this study, we conducted a systematic density functional theory (DFT) investigation of the interaction between Ti3C2-MXene monolayer and biological molecules dopamine (DA) and serine (Ser) as neurotransmitter and amino acid, respectively. Our calculations show good agreement with previous literature findings for the optimized Ti3C2 monolayer. We found that DA and Ser molecules bind to the Ti3C2 surface with adsorption energies of -2.244 eV and -3.960 eV, respectively. The adsorption of Ser resulted in the dissociation of one H atom. Electronic density of states analyses revealed little changes in the electronic properties of the Ti3C2-MXene monolayer upon adsorption of the biomolecules. We further investigated the interaction of DA and Ser with Ti3C2 monolayers featuring surface -termination with OH functional group, and Ti -vacancy. Our calculations indicate that the adsorption energies significantly decrease in the presence of surface termination, with adsorption energies of -0.097 eV and -0.330 eV for DA and Ser, respectively. Adsorption energies on the Ti -vacancy surface, on the other hand, are calculated to be -3.584 eV and -3.856 eV for DA and Ser, respectively. Our results provide insights into the adsorption behavior of biological molecules on Ti3C2-MXene, demonstrating the potential of this material for biosensing and other biomedical applications. These findings highlight the importance of surface modifications in the development of functional materials and devices based on Ti3C2-MXene, and pave the way for future investigations into the use of 2D materials for biomedical applications. |
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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 |
001206950300001 |
Publication Date |
2024-03-08 |
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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 |
2468-0230 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
| |
Impact Factor |
6.2 |
Times cited |
|
Open Access |
|
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Notes |
|
Approved |
Most recent IF: 6.2; 2024 IF: NA |
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Call Number |
UA @ admin @ c:irua:205977 |
Serial |
9150 |
| Permanent link to this record |
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Author |
Reynaert, S.; Vienne, A.; de Boeck, H.J.; D'Hose, T.; Janssens, I.; Nijs, I.; Portillo-Estrada, M.; Verbruggen, E.; Vicca, S. |
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Title |
Basalt addition improves the performance of young grassland monocultures under more persistent weather featuring longer dry and wet spells |
Type |
A1 Journal article |
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Year |
2023 |
Publication |
Agricultural and forest meteorology |
Abbreviated Journal |
|
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Volume |
340 |
Issue |
1 |
Pages |
109610 |
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Keywords |
A1 Journal article; Plant and Ecosystems (PLECO) – Ecology in a time of change |
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Abstract |
Global warming is altering the intra-annual variability of precipitation patterns in the mid-latitudes, including a shift towards longer dry and wet spells compared to historic averages. Such fluctuations will likely alter soil water and nutrient dynamics of managed ecosystems which could negatively influence their functioning (e.g., productivity and fodder quality). Here, we investigated whether basalt addition could attenuate effects of increasingly persistent precipitation regimes (PR) on two agricultural grassland monocultures differing in drought resistance (low: Lolium perenne (LP) vs high: Festulolium (FL)) and digestibility (high: LP, low: FL), while improving soil C sequestration. In total, 32 experimental mesocosms were subjected to either a low (1-day wet/ dry alternation) or a highly (30-day wet/dry alternation) persistent PR over 120 days, keeping total precipitation equal. In half of these mesocosms, we mixed basalt with the top 20 cm soil layer at a rate of 50 t ha-1. Overall, 30-day PR increased average water availability resulting in improved aboveground biomass and shoot digestibility for both species, in spite of elevated physiological stress. These PR also increased shoot Si, K, N and C but reduced Ca accumulation. Basalt addition generally increased soil Al, Ni, Mg, Ca, P, K and Si availability without altering root biomass or total soil carbon. Moreover, differences in root N content and C:N ratio between species were reduced. Interestingly, basalt modified the PR effects on productivity. Within 30-day PR, basalt stimulated aboveground biomass (& PLUSMN;14%) and root Si and K contents without altering plant digestibility, palatability, crude protein content or Ni/Al content. These results indicate that basalt can stimulate grassland productivity and soil nutrient availability under more persistent PR without negatively affecting fodder quality. Hence, basalt application may improve the performance of young temperate grassland monocultures under climate change, though dry soil conditions may limit effects on soil C sequestration during summer. |
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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 |
001051084500001 |
Publication Date |
2023-07-21 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
|
| |
ISSN |
0168-1923 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
| |
Impact Factor |
6.2 |
Times cited |
|
Open Access |
|
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Notes |
|
Approved |
Most recent IF: 6.2; 2023 IF: 3.887 |
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Call Number |
UA @ admin @ c:irua:199204 |
Serial |
9189 |
| Permanent link to this record |
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Author |
Tytgat, T.; Hauchecorne, B.; Abakumov, A.M.; Smits, M.; Verbruggen, S.W.; Lenaerts, S. |
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Title |
Photocatalytic process optimisation for ethylene oxidation |
Type |
A1 Journal article |
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Year |
2012 |
Publication |
Chemical engineering journal |
Abbreviated Journal |
Chem Eng J |
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Volume |
209 |
Issue |
|
Pages |
494-500 |
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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 |
When studying photocatalysis it is important to consider, beside the chemical approach, the engineering part related to process optimisation. To achieve this a fixed bed photocatalytic set-up consisting of different catalyst placings, in order to vary catalyst distribution, is studied. The use of a fixed quantity of catalyst placed packed or randomly distributed in the reactor, results in an almost double degradation for the distributed catalyst. Applying this knowledge leads to an improved performance with limited use of catalyst. A reactor only half filled with catalyst leads to higher degradation performance compared to a completely filled reactor. Taking into account this simple process optimisation by better distributing the catalyst a more sustainable photocatalytic air purification process is achieved. (C) 2012 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 |
Lausanne |
Editor |
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Language |
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Wos |
000311190500058 |
Publication Date |
2012-08-22 |
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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 |
|
Series Issue |
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Edition |
|
| |
ISSN |
1385-8947; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| |
Impact Factor |
6.216 |
Times cited |
12 |
Open Access |
|
| |
Notes |
; We are grateful for the delivered photocatalyst by Evonik as well as for the PhD grant (T. Tytgat) given by the Institute of Innovation by Science and Technology in Flanders (IWT). ; |
Approved |
Most recent IF: 6.216; 2012 IF: 3.473 |
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Call Number |
UA @ lucian @ c:irua:105185 |
Serial |
2609 |
| Permanent link to this record |
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Author |
Smeulders, G.; van Oers, C.; Van Havenbergh, K.; Houthoofd, K.; Mertens, M.; Martens, J.A.; Bals, S.; Maes, B.U.W.; Meynen, V.; Cool, P. |
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Title |
Smart heating profiles for the synthesis of benzene bridged periodic mesoporous organosilicas |
Type |
A1 Journal article |
| |
Year |
2011 |
Publication |
Chemical engineering journal |
Abbreviated Journal |
Chem Eng J |
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Volume |
175 |
Issue |
|
Pages |
585-591 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Laboratory of adsorption and catalysis (LADCA); Organic synthesis (ORSY) |
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Abstract |
In this study the effects of the heating rate and heating time on the formation of crystal-like benzene bridged periodic mesoporous organosilicas (PMOs) are investigated. The time needed to heat up an autoclave during the hydrothermal treatment has shown to be crucial in the synthesis of PMOs, while the total duration of heating gave rise to only minor differences. By choosing a smart heating profile, superior PMO materials can be obtained in a short time. Different heating profiles in a range from one minute to one hour are adopted by microwave equipment and compared with conventional heating methods. The heating rate has a large influence on the porosity characteristics and the uniformity of the obtained particles. Moreover, two new alternative synthetic strategies to adopt the smart heating profile are presented, in order to give some possible solutions for the expensive microwave equipment. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
|
Place of Publication |
Lausanne |
Editor |
|
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Language |
|
Wos |
000297875900069 |
Publication Date |
2011-10-07 |
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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 |
|
Series Issue |
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Edition |
|
| |
ISSN |
1385-8947; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| |
Impact Factor |
6.216 |
Times cited |
7 |
Open Access |
|
| |
Notes |
Fwo; Goa-Bof |
Approved |
Most recent IF: 6.216; 2011 IF: 3.461 |
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Call Number |
UA @ lucian @ c:irua:93630 |
Serial |
3044 |
| Permanent link to this record |
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Author |
Zhang, H.; Wang, W.; Li, X.; Han, L.; Yan, M.; Zhong, Y.; Tu, X. |
| |
Title |
Plasma activation of methane for hydrogen production in a N2 rotating gliding arc warm plasma : a chemical kinetics study |
Type |
A1 Journal article |
| |
Year |
2018 |
Publication |
Chemical engineering journal |
Abbreviated Journal |
Chem Eng J |
| |
Volume |
345 |
Issue |
345 |
Pages |
67-78 |
| |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| |
Abstract |
In this work, a chemical kinetics study on methane activation for hydrogen production in a warm plasma, i.e., N-2 rotating gliding arc (RGA), was performed for the first time to get new insights into the underlying reaction mechanisms and pathways. A zero-dimensional chemical kinetics model was developed, which showed a good agreement with the experimental results in terms of the conversion of CH4 and product selectivities, allowing us to get a better understanding of the relative significance of various important species and their related reactions to the formation and loss of CH4, H-2, and C2H2 etc. An overall reaction scheme was obtained to provide a realistic picture of the plasma chemistry. The results reveal that the electrons and excited nitrogen species (mainly N-2(A)) play a dominant role in the initial dissociation of CH4. However, the H atom induced reaction CH4+ H -> CH3+ H-2, which has an enhanced reaction rate due to the high gas temperature (over 1200 K), is the major contributor to both the conversion of CH4 and H-2 production, with its relative contributions of > 90% and > 85%, respectively, when only considering the forward reactions. The coexistence and interaction of thermochemical and plasma chemical processes in the rotating gliding arc warm plasma significantly enhance the process performance. The formation of C-2 hydrocarbons follows a nearly one-way path of C2H6 -> C2H4 -> C2H2, explaining why the selectivities of C-2 products decreased in the order of C2H2 > C2H4 > C2H6. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
Elsevier Sequoia |
Place of Publication |
Lausanne |
Editor |
|
| |
Language |
|
Wos |
000430696500008 |
Publication Date |
2018-03-24 |
| |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
| |
ISSN |
1385-8947; 1873-3212 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| |
Impact Factor |
6.216 |
Times cited |
25 |
Open Access |
OpenAccess |
| |
Notes |
|
Approved |
Most recent IF: 6.216 |
| |
Call Number |
UA @ lucian @ c:irua:151450 |
Serial |
5036 |
| Permanent link to this record |
| |
|
| |
|
Author |
Li, K.; Liu, J.-L.; Li, X.-S.; Lian, H.-Y.; Zhu, X.; Bogaerts, A.; Zhu, A.-M. |
| |
Title |
Novel power-to-syngas concept for plasma catalytic reforming coupled with water electrolysis |
Type |
A1 Journal article |
| |
Year |
2018 |
Publication |
Chemical engineering journal |
Abbreviated Journal |
Chem Eng J |
| |
Volume |
353 |
Issue |
|
Pages |
297-304 |
| |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| |
Abstract |
We propose a novel Power to Synthesis Gas (P2SG) approach, composed of two high-efficiency and renewable electricity-driven units, i.e., plasma catalytic reforming (PCR) and water electrolysis (WE), to produce high quality syngas from CH4, CO2 and H2O. As WE technology is already commercial, we mainly focus on the PCR unit, consisting of gliding arc plasma and Ni-based catalyst, for oxidative dry reforming of methane. An energy efficiency of 78.9% and energy cost of 1.0 kWh/Nm3 at a CH4 conversion of 99% and a CO2 conversion of 79% are obtained. Considering an energy efficiency of 80% for WE, the P2SG system yields an overall energy efficiency of 79.3% and energy cost of 1.8 kWh/Nm3. High-quality syngas is produced without the need for posttreatment units, featuring the ideal stoichiometric number of 2, with concentration of 94.6 vol%, and a desired CO2 fraction of 1.9 vol% for methanol synthesis. The PCR unit has the advantage of fast response to adapting to fluctuation of renewable electricity, avoiding local hot spots in the catalyst bed and coking, in contrast to conventional catalytic processes. Moreover, pure O2 from the WE unit is directly utilized by the PCR unit for oxidative dry reforming of methane, and thus, no air separation unit, like in conventional processes, is required. This work demonstrates the viability of the P2SG approach for large-scale energy storage of renewable electricity via electricity-to-fuel conversion. |
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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 |
000441527900029 |
Publication Date |
2018-07-20 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
| |
ISSN |
1385-8947 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| |
Impact Factor |
6.216 |
Times cited |
7 |
Open Access |
OpenAccess |
| |
Notes |
This project is supported by the National Natural Science Foundation of China (11705019, 11475041), the Fundamental Research Funds for the Central Universities (DUT16QY49, DUT16LK16) and the Fund for Scientific Research Flanders (FWO; grant G.0383.16N). |
Approved |
Most recent IF: 6.216 |
| |
Call Number |
PLASMANT @ plasmant @c:irua:153059 |
Serial |
5049 |
| Permanent link to this record |
| |
|
| |
|
Author |
Uytdenhouwen, Y.; Bal, Km.; Michielsen, I.; Neyts, Ec.; Meynen, V.; Cool, P.; Bogaerts, A. |
| |
Title |
How process parameters and packing materials tune chemical equilibrium and kinetics in plasma-based CO2 conversion |
Type |
A1 Journal article |
| |
Year |
2019 |
Publication |
Chemical engineering journal |
Abbreviated Journal |
Chem Eng J |
| |
Volume |
372 |
Issue |
|
Pages |
1253-1264 |
| |
Keywords |
A1 Journal article; Laboratory of adsorption and catalysis (LADCA); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| |
Abstract |
Plasma (catalysis) reactors are increasingly being used for gas-based chemical conversions, providing an alternative method of energy delivery to the molecules. In this work we explore whether classical concepts such as
equilibrium constants, (overall) rate coefficients, and catalysis exist under plasma conditions. We specifically
investigate the existence of a so-called partial chemical equilibrium (PCE), and how process parameters and
packing properties influence this equilibrium, as well as the overall apparent rate coefficient, for CO2 splitting in
a DBD plasma reactor. The results show that a PCE can be reached, and that the position of the equilibrium, in
combination with the rate coefficient, greatly depends on the reactor parameters and operating conditions (i.e.,
power, pressure, and gap size). A higher power, higher pressure, or smaller gap size enhance both the equilibrium constant and the rate coefficient, although they cannot be independently tuned. Inserting a packing
material (non-porous SiO2 and ZrO2 spheres) in the reactor reveals interesting gap/material effects, where the
type of material dictates the position of the equilibrium and the rate (inhibition) independently. As a result, no
apparent synergistic effect or plasma-catalytic behaviour was observed for the non-porous packing materials
studied in this reaction. Within the investigated parameters, equilibrium conversions were obtained between 23
and 71%, while the rate coefficient varied between 0.027 s−1 and 0.17 s−1. This method of analysis can provide
a more fundamental insight in the overall reaction kinetics of (catalytic) plasma-based gas conversion, in order
to be able to distinguish plasma effects from true catalytic enhancement. |
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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 |
000471670400116 |
Publication Date |
2019-05-08 |
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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 |
|
Series Issue |
|
Edition |
|
| |
ISSN |
1385-8947 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| |
Impact Factor |
6.216 |
Times cited |
3 |
Open Access |
Not_Open_Access: Available from 05.05.2021
|
| |
Notes |
European Fund for Regional Development; FWOFWO, G.0254.14N ; University of Antwerp; FWO-FlandersFWO-Flanders, 11V8915N ; The authors acknowledge financial support from the European Fund for Regional Development through the cross-border collaborative Interreg V program Flanders-the Netherlands (project EnOp), the Fund for Scientific Research (FWO; Grant Number: G.0254.14N), a TOP-BOF project and an IOF-SBO (SynCO2Chem) project from the University of Antwerp. K. M. B. was funded as a PhD fellow (aspirant) of the FWOFlanders (Fund for Scientific Research-Flanders), Grant 11V8915N. |
Approved |
Most recent IF: 6.216 |
| |
Call Number |
PLASMANT @ plasmant @UA @ admin @ c:irua:159979 |
Serial |
5171 |
| Permanent link to this record |
| |
|
| |
|
Author |
Verbruggen, S.W.; Ribbens, S.; Tytgat, T.; Hauchecorne, B.; Smits, M.; Meynen, V.; Cool, P.; Martens, J.A.; Lenaerts, S. |
| |
Title |
The benefit of glass bead supports for efficient gas phase photocatalysis : case study of a commercial and a synthesised photocatalyst |
Type |
A1 Journal article |
| |
Year |
2011 |
Publication |
Chemical engineering journal |
Abbreviated Journal |
Chem Eng J |
| |
Volume |
174 |
Issue |
1 |
Pages |
318-325 |
| |
Keywords |
A1 Journal article; Engineering sciences. Technology; Laboratory of adsorption and catalysis (LADCA); Sustainable Energy, Air and Water Technology (DuEL) |
| |
Abstract |
In the field of photocatalytic air purification, the immobilisation of catalyst particles on support surfaces without loss of photon efficiency is an important challenge. Therefore, an immobilisation method involving a one-step suspension coating of pre-synthesised photocatalysts on glass beads was applied. The various benefits are exemplified in the gas phase photodegradation of ethylene. Coating of glass beads is easy, fast, cheap and offers a more efficient alternative to bulk catalyst pellets. Furthermore, this coating procedure allows to use porous, pre-synthesised catalysts to their full potential, as the surface area and morphology of the initial powder is barely altered after coating, in strong contrast to pelletising. With this technique it became possible to study the gas phase photocatalytic activity of commercial titanium dioxide, trititanate nanotubes and mixed phase anatase/trititanate nanotubes in a packed bed reactor towards the degradation of ethylene without changing the catalyst properties. Coating of glass beads with the photocatalyst revealed the superior activity of the as-prepared nanotubes, compared to TiO2 Aerolyst® 7710 in gaseous phase. |
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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 |
000296950300041 |
Publication Date |
2011-09-17 |
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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 |
1385-8947; 1873-3212 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| |
Impact Factor |
6.216 |
Times cited |
39 |
Open Access |
|
| |
Notes |
; The author wishes to acknowledge the Research Foundation of Flanders (FWO) for the financial support. Evonik is greatly thanked for supplying the TiO<INF>2</ INF> Aerolyst (R) 7710 pellets. ; |
Approved |
Most recent IF: 6.216; 2011 IF: 3.461 |
| |
Call Number |
UA @ admin @ c:irua:93364 |
Serial |
5929 |
| Permanent link to this record |
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Author |
Verbruggen, S.W.; Keulemans, M.; van Walsem, J.; Tytgat, T.; Lenaerts, S.; Denys, S. |
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Title |
CFD modeling of transient adsorption/desorption behavior in a gas phase photocatalytic fiber reactor |
Type |
A1 Journal article |
| |
Year |
2016 |
Publication |
Chemical engineering journal |
Abbreviated Journal |
Chem Eng J |
| |
Volume |
292 |
Issue |
|
Pages |
42-50 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
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Abstract |
We present the use of computational fluid dynamics (CFD) for accurately determining the adsorption parameters of acetaldehyde on photocatalytic fiber filter material, integrated in a continuous flow system. Unlike the traditional analytical analysis based on Langmuir adsorption, not only steady-state situations but also transient phenomena can be accounted for. Air displacement effects in the reactor and gas detection cell are investigated and inherently made part of the model. Incorporation of a surface aldol condensation reaction in the CFD analysis further improves the accuracy of the model which enables to extract precise, intrinsic adsorption parameters for situations in which analytical analysis would otherwise fail. |
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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 |
000373648000005 |
Publication Date |
2016-02-09 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
|
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ISSN |
1385-8947; 1873-3212 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| |
Impact Factor |
6.216 |
Times cited |
12 |
Open Access |
|
| |
Notes |
; S.W.V. acknowledges the Research Foundation – Flanders (FWO) for a postdoctoral fellowship. M.K. acknowledges the IWT for a Ph.D. fellowship. Konstantina Kalafata and Ioanna Fasaki are greatly thanked for providing the NanoPhos suspension. Bioscience Engineering bachelor students M. Gerritsma, J. Helsen and Y. Riahi Drif are thanked for their assistance in performing the adsorption experiments. ; |
Approved |
Most recent IF: 6.216 |
| |
Call Number |
UA @ admin @ c:irua:130876 |
Serial |
5934 |
| Permanent link to this record |
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Author |
Van Hal, M.; Verbruggen, S.W.; Yang, X.-Y.; Lenaerts, S.; Tytgat, T. |
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Title |
Image analysis and in situ FTIR as complementary detection tools for photocatalytic soot oxidation |
Type |
A1 Journal article |
| |
Year |
2019 |
Publication |
Chemical engineering journal |
Abbreviated Journal |
Chem Eng J |
| |
Volume |
367 |
Issue |
367 |
Pages |
269-277 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
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Abstract |
Air pollution, especially particulate matter (PM), is an increasingly urgent problem in urban environments, causing both short and long-term health problems, climate interference and aesthetical problems due to building fouling. Photocatalysis has been shown to be a possible solution to that end. In this work two complementary detection methods for photocatalytic soot oxidation are studied and their advantages and disadvantages are discussed. First, a colour-based digital image analysis method is drastically improved towards an accurate, detailed and straightforward detection tool, that enables simultaneous measurement of the degradation of different grades of soot fouling (for instance a shallow soot haze versus condensed soot deposits). In the next part, a second soot oxidation detection method is presented based on in situ FTIR spectroscopy. This method has the additional advantage of providing more insight into the photocatalytic soot degradation process by monitoring both gaseous and adsorbed intermediates as well as reaction products while the reactions are ongoing. As an illustration, the proposed detection strategies were applied on four different commercially available and synthesized photocatalytic materials. The digital image analysis showed that P25 (Evonik) is the fastest photocatalytic soot degrader of all studied materials for both a uniform soot haze as well as concentrated soot spots. Application of the in situ method showed that for all studied materials adsorbed formate-related surface species were formed and that commercially available ZnO nanopowder has the highest specificity towards complete mineralization into CO2. With this we aim to provide a set of complementary experimental tools for the convenient, reliable, realistic and standardised detection of photocatalytic soot degradation. |
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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 |
000461380400028 |
Publication Date |
2019-02-23 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
|
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ISSN |
1385-8947; 1873-3212 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| |
Impact Factor |
6.216 |
Times cited |
1 |
Open Access |
|
| |
Notes |
; M.V.H. acknowledges the Research Foundation-Flanders (FWO) for a doctoral fellowship. M.V.H., S.W.V., S.L. and X-Y.Y. thank the FWO and the National Natural Science Foundation of China (NSFC) for funding an international collaboration project. Mr. M. Minjauw is greatly thanked for his help in the AFM measurements. ; |
Approved |
Most recent IF: 6.216 |
| |
Call Number |
UA @ admin @ c:irua:157789 |
Serial |
5958 |
| Permanent link to this record |
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Author |
Smits, M.; Chan, C. kit; Tytgat, T.; Craeye, B.; Costarramone, N.; Lacombe, S.; Lenaerts, S. |
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Title |
Photocatalytic degradation of soot deposition : self-cleaning effect on titanium dioxide coated cementitious materials |
Type |
A1 Journal article |
| |
Year |
2013 |
Publication |
Chemical engineering journal |
Abbreviated Journal |
Chem Eng J |
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Volume |
222 |
Issue |
|
Pages |
411-418 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
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Abstract |
Diesel soot emissions deteriorate the appearance of architectural building materials by soot fouling. This soot deposition devalue the aesthetic value of the building. A solution to counteract this problem is applying titanium dioxide on building materials. TiO2 can provide air-purifying and self-cleaning properties due to its photocatalytic activity. In literature, photocatalytic soot oxidation is observed on glass or silicon substrates. However, degradation of soot by photocatalysis was not yet investigated on cementitious samples (mortar, concrete) although it is one of the most frequently used building materials. In this study, photocatalytic soot oxidation by means of TiO2 coated cementitious samples is addressed. The soot removal capacity of four types of TiO2 layers, coated on mortar samples, is evaluated by means of two detection methods. The first method is based on colorimetric measurements, while the second method uses digital image processing to calculate the area of soot coverage. The experimental data revealed that cementitious materials coated with commercially available TiO2 exhibited self-cleaning properties as it was found that all coated samples were able to remove soot. The P25 coating gave the best soot degradation performance, while the Eoxolit product showed the slowest soot degradation rate. In addition, gas chromatography measurements in a closed chamber experiment with P25 confirmed that complete mineralization of about 60% of the soot was obtained within 24 hours since CO2 was the sole observed oxidation product. Due to its realistic approach, this study proves that photocatalytic soot removal on TiO2 coated cementitious surfaces is possible in practice, which is an important step towards the practical application of self-cleaning building materials. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000319528900046 |
Publication Date |
2013-03-05 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1385-8947; 1873-3212 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| |
Impact Factor |
6.216 |
Times cited |
43 |
Open Access |
|
| |
Notes |
; This work was supported by a PhD grant (M. Smits) from the University of Antwerp, a PhD grant (T. Tytgat) funded by the Institute of Innovation by Science and Technology in Flanders (IWT) and the exchange program Tournesol (Project T2012.05) financed by the Flemish government. ; |
Approved |
Most recent IF: 6.216; 2013 IF: 4.058 |
| |
Call Number |
UA @ admin @ c:irua:106519 |
Serial |
5979 |
| Permanent link to this record |
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Author |
Uytdenhouwen, Y.; Bal, Km.; Neyts, Ec.; Meynen, V.; Cool, P.; Bogaerts, A. |
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Title |
On the kinetics and equilibria of plasma-based dry reforming of methane |
Type |
A1 Journal article |
| |
Year |
2021 |
Publication |
Chemical Engineering Journal |
Abbreviated Journal |
Chem Eng J |
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Volume |
405 |
Issue |
|
Pages |
126630 |
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Keywords |
A1 Journal article; Laboratory of adsorption and catalysis (LADCA); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
Plasma reactors are interesting for gas-based chemical conversion but the fundamental relation between the plasma chemistry and selected conditions remains poorly understood. Apparent kinetic parameters for the loss and formation processes of individual components of gas conversion processes, can however be extracted by performing experiments in an extended residence time range (2–75 s) and fitting the gas composition to a firstorder kinetic model of the evolution towards partial chemical equilibrium (PCE). We specifically investigated the differences in kinetic characteristics and PCE state of the CO2 dissociation and CH4 reforming reactions in a dielectric barrier discharge reactor (DBD), how these are mutually affected when combining both gases in the dry reforming of methane (DRM) reaction, and how they change when a packing material (non-porous SiO2) is added to the reactor. We find that CO2 dissociation is characterized by a comparatively high reaction rate of 0.120 s−1 compared to CH4 reforming at 0.041 s−1; whereas CH4 reforming reaches higher equilibrium conversions, 82% compared to 53.6% for CO2 dissociation. Combining both feed gases makes the DRM reaction to proceed at a relatively high rate (0.088 s−1), and high conversion (75.4%) compared to CO2 dissociation, through accessing new chemical pathways between the products of CO2 and CH4. The addition of the packing material can also distinctly influence the conversion rate and position of the equilibrium, but its precise effect depends strongly on the gas composition. Comparing different CO2:CH4 ratios reveals the delicate balance of the combined chemistry. CO2 drives the loss reactions in DRM, whereas CH4 in the mixture suppresses back reactions. As a result, our methodology provides some of the insight necessary to systematically tune the conversion process. |
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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 |
000621197700003 |
Publication Date |
2020-08-12 |
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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 |
1385-8947 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| |
Impact Factor |
6.216 |
Times cited |
|
Open Access |
OpenAccess |
| |
Notes |
The authors acknowledge financial support from the European Fund for Regional Development through the cross-border collaborative Interreg V program Flanders-the Netherlands (project EnOp), the Fund for Scientific Research (FWO; grant number: G.0254.14N), a TOP-BOF project and an IOF-SBO (SynCO2Chem) project from the University of Antwerp. |
Approved |
Most recent IF: 6.216 |
| |
Call Number |
PLASMANT @ plasmant @c:irua:172458 |
Serial |
6411 |
| Permanent link to this record |
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Author |
Blommaerts, N.; Hoeven, N.; Arenas Esteban, D.; Campos, R.; Mertens, M.; Borah, R.; Glisenti, A.; De Wael, K.; Bals, S.; Lenaerts, S.; Verbruggen, S.W.; Cool, P. |
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Title |
Tuning the turnover frequency and selectivity of photocatalytic CO2 reduction to CO and methane using platinum and palladium nanoparticles on Ti-Beta zeolites |
Type |
A1 Journal article |
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Year |
2021 |
Publication |
Chemical Engineering Journal |
Abbreviated Journal |
Chem Eng J |
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Volume |
410 |
Issue |
|
Pages |
128234 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL); Electron microscopy for materials research (EMAT); Laboratory of adsorption and catalysis (LADCA); AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Abstract |
A Ti-Beta zeolite was used in gas phase photocatalytic CO2 reduction to reduce the charge recombination rate and increase the surface area compared to P25 as commercial benchmark, reaching 607 m2 g-1. By adding Pt nanoparticles, the selectivity can be tuned toward CO, reaching a value of 92% and a turnover frequency (TOF) of 96 µmol.gcat-1.h-1, nearly an order of magnitude higher in comparison with P25. By adding Pd nanoparticles the selectivity can be shifted from CO (70% for a bare Ti-Beta zeolite), toward CH4 as the prevalent species (60%). In this way, the selectivity toward CO or CH4 can be tuned by either using Pt or Pd. The TOF values obtained in this work outperform reported state-of-the-art values in similar research. The improved activity by adding the nanoparticles was attributed to an improved charge separation efficiency, together with a plasmonic contribution of the metal nanoparticles under the applied experimental conditions. |
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Corporate Author |
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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 |
000623394200004 |
Publication Date |
2021-01-09 |
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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 |
|
| |
ISSN |
1385-8947 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| |
Impact Factor |
6.216 |
Times cited |
15 |
Open Access |
OpenAccess |
| |
Notes |
N.B., S.L., S.W.V. and P.C. wish to thank the Flemish government and Catalisti for financial support and coordination in terms of a sprint SBO in the context of the moonshot project D2M. N.H. thanks the Flanders Innovation and Entrepreneurship (VLAIO) for the financial support. The Systemic Physiological and Ecotoxicological Research (SPHERE) group, R. Blust, University of Antwerp is acknowledged for the ICP-MS measurements. |
Approved |
Most recent IF: 6.216 |
| |
Call Number |
EMAT @ emat @c:irua:174591 |
Serial |
6662 |
| Permanent link to this record |
| |
|
| |
|
Author |
Nakhaee, M.; Ketabi, S.A.; Peeters, F.M. |
| |
Title |
Tight-binding studio : a technical software package to find the parameters of tight-binding Hamiltonian |
Type |
A1 Journal article |
| |
Year |
2020 |
Publication |
Computer Physics Communications |
Abbreviated Journal |
Comput Phys Commun |
| |
Volume |
254 |
Issue |
|
Pages |
107379-10 |
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| |
Abstract |
We present the Tight-Binding Studio (TB Studio) software package that calculates the different parameters of a tight-binding Hamiltonian from a set of Bloch energy bands obtained from first principle theories such as density functional theory, Hartree-Fock calculations or semi-empirical band-structure theory. This will be helpful for scientists who are interested in studying electronic and optical properties of structures using Green's function theory within the tight-binding approximation. TB Studio is a cross-platform application written in C++ with a graphical user interface design that is user-friendly and easy to work with. This software is powered by Linear Algebra Package C interface library for solving the eigenvalue problems and the standard high performance OpenGL graphic library for real time plotting. TB Studio and its examples together with the tutorials are available for download from tight-binding.com. Program summary Program Title: Tight-Binding Studio Program Files doi:http://dx.doi.org/10.17632/j6x5mwzm2d.1 Licensing provisions: LGPL Programming language: C++ External routines: BLAS, LAPACK, LAPACKE, wxWidgets, OpenGL, MathGL Nature of problem: Obtaining Tight-Binding Hamiltonian from a set of Bloch energy bands obtained from first-principles calculations. Solution method: Starting from the simplified LCAO method, a tight-binding model in the two-center approximation is constructed. The Slater and Koster (SK) approach is used to calculate the parameters of the TB Hamiltonian. By using non-linear fitting approaches the optimal values of the SK parameters are obtained such that the TB energy eigenvalues are as close as possible to those from first-principles calculations. We obtain the expression for the Hamiltonian and the overlap matrix elements between the different orbitals of the different atoms in an orthogonal or non-orthogonal basis set. (C) 2020 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 |
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Editor |
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| |
Language |
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Wos |
000541251200030 |
Publication Date |
2020-05-18 |
| |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
| |
ISSN |
0010-4655 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| |
Impact Factor |
6.3 |
Times cited |
27 |
Open Access |
|
| |
Notes |
; This work was supported by the Methusalem program of the Flemish government, Belgium and M. Nakhaee was supported by a BOF-fellowship (UAntwerpen), Belgium. ; |
Approved |
Most recent IF: 6.3; 2020 IF: 3.936 |
| |
Call Number |
UA @ admin @ c:irua:170149 |
Serial |
6630 |
| Permanent link to this record |
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|
| |
|
Author |
Yalcin, A.O.; Goris, B.; van Dijk-Moes, R.J.A.; Fan, Z.; Erdamar, A.K.; Tichelaar, F.D.; Vlugt, T.J.H.; Van Tendeloo, G.; Bals, S.; Vanmaekelbergh, D.; Zandbergen, H.W.; van Huis, M.A.; |
| |
Title |
Heat-induced transformation of CdSe-CdS-ZnS coremultishell quantum dots by Zn diffusion into inner layers |
Type |
A1 Journal article |
| |
Year |
2015 |
Publication |
Chemical communications |
Abbreviated Journal |
Chem Commun |
| |
Volume |
51 |
Issue |
51 |
Pages |
3320-3323 |
| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| |
Abstract |
In this work, we investigate the thermal evolution of CdSeCdSZnS coremultishell quantum dots (QDs) in situ using transmission electron microscopy (TEM). Starting at a temperature of approximately 250 °C, Zn diffusion into inner layers takes place together with simultaneous evaporation of particularly Cd and S. As a result of this transformation, CdxZn1−xSeCdyZn1−yS coreshell QDs are obtained. |
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Address |
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Corporate Author |
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Thesis |
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| |
Publisher |
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Place of Publication |
London |
Editor |
|
| |
Language |
|
Wos |
000349325000004 |
Publication Date |
2014-11-21 |
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Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
| |
ISSN |
1359-7345;1364-548X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| |
Impact Factor |
6.319 |
Times cited |
21 |
Open Access |
OpenAccess |
| |
Notes |
262348 Esmi; Fwo; 246791 Countatoms; 335078 Colouratom; ECAS_Sara; (ROMEO:yellow; preprint:; postprint:restricted ; pdfversion:cannot); |
Approved |
Most recent IF: 6.319; 2015 IF: 6.834 |
| |
Call Number |
c:irua:132582 |
Serial |
1412 |
| Permanent link to this record |
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|
| |
|
Author |
Zhang, F.; Vanmeensel, K.; Batuk, M.; Hadermann, J.; Inokoshi, M.; Van Meerbeek, B.; Naert, I.; Vleugels, J. |
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Title |
Highly-translucent, strong and aging-resistant 3Y-TZP ceramics for dental restoration by grain boundary segregation |
Type |
A1 Journal article |
| |
Year |
2015 |
Publication |
Acta biomaterialia |
Abbreviated Journal |
Acta Biomater |
| |
Volume |
16 |
Issue |
16 |
Pages |
215-222 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
Latest trends in dental restorative ceramics involve the development of full-contour 3Y-TZP ceramics which can avoid chipping of veneering porcelains. Among the challenges are the low translucency and the hydrothermal stability of 3Y-TZP ceramics. In this work, different trivalent oxides (Al2O3, Sc2O3, Nd2O3 and La2O3) were selected to dope 3Y-TZP ceramics. Results show that dopant segregation was a key factor to design hydrothermally stable and high-translucent 3Y-TZP ceramics and the cation dopant radius could be used as a controlling parameter. A large trivalent dopant, oversized as compared to Zr4+, exhibiting strong segregation at the ZrO2 grain boundary was preferred. The introduction of 0.2 mol% La2O3 in conventional 0.10.25 wt.% Al2O3-doped 3Y-TZP resulted in an excellent combination of high translucency and superior hydrothermal stability, while retaining excellent mechanical properties. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
|
Place of Publication |
S.l. |
Editor |
|
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Language |
|
Wos |
000351978600021 |
Publication Date |
2015-02-04 |
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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 |
1742-7061; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| |
Impact Factor |
6.319 |
Times cited |
54 |
Open Access |
|
| |
Notes |
Fwo G043110n |
Approved |
Most recent IF: 6.319; 2015 IF: 6.025 |
| |
Call Number |
c:irua:124421 |
Serial |
1473 |
| Permanent link to this record |
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| |
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Author |
de Clippel, F.; Harkiolakis, A.; Ke, X.; Vosch, T.; Van Tendeloo, G.; Baron, G.V.; Jacobs, P.A.; Denayer, J.F.M.; Sels, B.F. |
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Title |
Molecular sieve properties of mesoporous silica with intraporous nanocarbon |
Type |
A1 Journal article |
| |
Year |
2010 |
Publication |
Chemical communications |
Abbreviated Journal |
Chem Commun |
| |
Volume |
46 |
Issue |
6 |
Pages |
928-930 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
Biporous carbonsilica materials (CSM) with molecular sieve properties and high sorption capacity were developed by synthesizing nano-sized carbon crystallites in the mesopores of Al-MCM-41. |
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Address |
|
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Corporate Author |
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Thesis |
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| |
Publisher |
|
Place of Publication |
London |
Editor |
|
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Language |
|
Wos |
000274070800024 |
Publication Date |
2009-12-07 |
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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 |
1359-7345;1364-548X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| |
Impact Factor |
6.319 |
Times cited |
21 |
Open Access |
|
| |
Notes |
Fwo; Iap |
Approved |
Most recent IF: 6.319; 2010 IF: 5.787 |
| |
Call Number |
UA @ lucian @ c:irua:80994 |
Serial |
2182 |
| Permanent link to this record |
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| |
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Author |
Hadad, C.; Ke, X.; Carraro, M.; Sartorel, A.; Bittencourt, C.; Van Tendeloo, G.; Bonchio, M.; Quintana, M.; Prato, M. |
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Title |
Positive graphene by chemical design : tuning supramolecular strategies for functional surfaces |
Type |
A1 Journal article |
| |
Year |
2014 |
Publication |
Chemical communications |
Abbreviated Journal |
Chem Commun |
| |
Volume |
50 |
Issue |
7 |
Pages |
885-887 |
| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| |
Abstract |
A diazonium based-arylation reaction was efficiently used for the covalent addition of 4-amino-N,N,N-trimethylbenzene ammonium to stable dispersions of few layer graphene (FLG) yielding an innovative FLG platform with positive charges to immobilize inorganic polyanions. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
|
Place of Publication |
London |
Editor |
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Language |
|
Wos |
000328884500036 |
Publication Date |
2013-11-08 |
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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 |
|
Series Issue |
|
Edition |
|
| |
ISSN |
1359-7345;1364-548X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| |
Impact Factor |
6.319 |
Times cited |
19 |
Open Access |
|
| |
Notes |
|
Approved |
Most recent IF: 6.319; 2014 IF: 6.834 |
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Call Number |
UA @ lucian @ c:irua:113733 |
Serial |
2678 |
| Permanent link to this record |
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| |
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Author |
Meynen, V.; Beyers, E.; Cool, P.; Vansant, E.F.; Mertens, M.; Weyten, H.; Lebedev, O.I.; Van Tendeloo, G. |
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Title |
Post-synthesis deposition of V-Zeolitic nanoparticles in SBA-15 |
Type |
A1 Journal article |
| |
Year |
2004 |
Publication |
Chemical communications |
Abbreviated Journal |
Chem Commun |
| |
Volume |
|
Issue |
|
Pages |
898-890 |
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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 |
|
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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 |
000221124300084 |
Publication Date |
2004-03-25 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
| |
ISSN |
1359-7345;1364-548X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| |
Impact Factor |
6.319 |
Times cited |
22 |
Open Access |
|
| |
Notes |
|
Approved |
Most recent IF: 6.319; 2004 IF: 3.997 |
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Call Number |
UA @ lucian @ c:irua:44934 |
Serial |
2684 |
| Permanent link to this record |
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Author |
Quintana, M.; Grzelczak, M.; Spyrou, K.; Kooi, B.; Bals, S.; Van Tendeloo, G.; Rudolf, P.; Prato, M. |
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Title |
Production of large graphene sheets by exfoliation of graphite under high power ultrasound in the presence of tiopronin |
Type |
A1 Journal article |
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Year |
2012 |
Publication |
Chemical communications |
Abbreviated Journal |
Chem Commun |
| |
Volume |
48 |
Issue |
100 |
Pages |
12159-12161 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
Under ultrasonication, the production of high quality graphene layers by exfoliation of graphite was achieved via addition of tiopronin as an antioxidant. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
|
Place of Publication |
London |
Editor |
|
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Language |
|
Wos |
000311411100003 |
Publication Date |
2012-10-09 |
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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 |
1359-7345;1364-548X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| |
Impact Factor |
6.319 |
Times cited |
39 |
Open Access |
|
| |
Notes |
This work was financially supported by the University of Trieste, INSTM, Italian Ministry of Education MIUR (cofin Prot. 20085M27SS) and by the "Graphene-based electronics'' research program of the Foundation for Fundamental Research on Matter (FOM). Part of this work was supported by funding from the ERC grant No 246791COUNTATOMS. MQ acknowledges the financial support from CONACyT CB-2011-01-166914 and FAI-UASLP. |
Approved |
Most recent IF: 6.319; 2012 IF: 6.378 |
| |
Call Number |
UA @ lucian @ c:irua:105230 |
Serial |
2724 |
| Permanent link to this record |
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Author |
Rodríguez-Fernández, D.; Altantzis, T.; Heidari, H.; Bals, S.; Liz-Marzan, L.M. |
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Title |
A protecting group approach toward synthesis of Au-silica Janus nanostars |
Type |
A1 Journal article |
| |
Year |
2014 |
Publication |
Chemical communications |
Abbreviated Journal |
Chem Commun |
| |
Volume |
50 |
Issue |
1 |
Pages |
79-81 |
| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| |
Abstract |
The concept of protecting groups, widely used in organic chemistry, has been applied for the synthesis of Au-silica Janus stars, in which gold branches protrude from one half of Au-silica Janus spheres. This configuration opens up new possibilities to apply the plasmonic properties of gold nanostars, as well as a variety of chemical functionalizations on the silica component. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
London |
Editor |
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Language |
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Wos |
000327606000017 |
Publication Date |
2013-10-22 |
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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 |
|
Series Issue |
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Edition |
|
| |
ISSN |
1359-7345;1364-548X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| |
Impact Factor |
6.319 |
Times cited |
26 |
Open Access |
OpenAccess |
| |
Notes |
262348 Esmi; 335078 Colouratom; 267867 Plasmaquo; ECAS_Sara; (ROMEO:yellow; preprint:; postprint:restricted ; pdfversion:cannot); |
Approved |
Most recent IF: 6.319; 2014 IF: 6.834 |
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Call Number |
UA @ lucian @ c:irua:112774 |
Serial |
2732 |
| Permanent link to this record |
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Author |
Quintana, M.; Montellano, A.; Esau del Rio Castillo, A.; Van Tendeloo, G.; Bittencourt, C.; Prato, M. |
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Title |
Selective organic functionalization of graphene bulk or graphene edges |
Type |
A1 Journal article |
| |
Year |
2011 |
Publication |
Chemical communications |
Abbreviated Journal |
Chem Commun |
| |
Volume |
47 |
Issue |
33 |
Pages |
9330-9332 |
| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| |
Abstract |
Graphene sheets have been functionalized with a PAMAM dendron, finding that graphene can be efficiently functionalized all over the surface, or only at the edges, depending on the reactions used in the functionalization process. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
London |
Editor |
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Language |
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Wos |
000293648200010 |
Publication Date |
2011-07-20 |
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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 |
|
| |
ISSN |
1359-7345;1364-548X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| |
Impact Factor |
6.319 |
Times cited |
84 |
Open Access |
|
| |
Notes |
|
Approved |
Most recent IF: 6.319; 2011 IF: 6.169 |
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Call Number |
UA @ lucian @ c:irua:91892 |
Serial |
2968 |
| Permanent link to this record |
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Author |
Percebom, A.M.M.; Giner-casares, J.J.; Claes, N.; Bals, S.; Loh, W.; Liz-Marzan, L.M. |
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Title |
Janus Gold Nanoparticles Obtained via Spontaneous Binary Polymer Shell Segregation |
Type |
A1 Journal article |
| |
Year |
2016 |
Publication |
Chemical communications |
Abbreviated Journal |
Chem Commun |
| |
Volume |
52 |
Issue |
52 |
Pages |
4278-4281 |
| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| |
Abstract |
Janus gold nanoparticles are of high interest because they allow directed self-assembly and display plasmonic properties. We succeeded in coating gold nanoparticles with two different polymers that form a Janus shell. The spontaneous segregation of two immiscible polymers at the surface of the nanoparticles was verified by NOESY NMR and most importantly by electron microscopy analysis in two and three dimensions. The Janus structure is additionally shown to affect the aggregation behavior of the nanoparticles. |
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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 |
000372176500003 |
Publication Date |
2016-02-09 |
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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 |
|
| |
ISSN |
1359-7345 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
| |
Impact Factor |
6.319 |
Times cited |
44 |
Open Access |
OpenAccess |
| |
Notes |
Funding is acknowledged from the European Research Council (ERC Advanced Grant #267867 Plasmaquo, and ERC Starting Grant #335078 Colouratom). A.M.P. thanks the Brazilian FAPESP for financial support (FAPESP 2012/21930-3 and 2014/01807-8) and J.J. G.-C. acknowledges the Spanish MINECO for a Juan de la Cierva fellowship (#JCI-2012-12517). We thank Ada Herrero Ruiz and Daniel Padró for help with NMR measurements, Malou Henriksen for cell experiments and the Brazilian Synchrotron Laboratory (LNLS) for allocation of SAXS beamtime.; ECAS_Sara; (ROMEO:yellow; preprint:; postprint:restricted ; pdfversion:cannot); |
Approved |
Most recent IF: 6.319 |
| |
Call Number |
c:irua:133168 |
Serial |
4009 |
| Permanent link to this record |
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| |
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Author |
Ying, J.; Hu, Z.-Y.; Yang, X.-Y.; Wei, H.; Xiao, Y.-X.; Janiak, C.; Mu, S.-C.; Tian, G.; Pan, M.; Van Tendeloo, G.; Su, B.-L. |
| |
Title |
High viscosity to highly dispersed PtPd bimetallic nanocrystals for enhanced catalytic activity and stability |
Type |
A1 Journal article |
| |
Year |
2016 |
Publication |
Chemical communications |
Abbreviated Journal |
Chem Commun |
| |
Volume |
52 |
Issue |
52 |
Pages |
8219-8222 |
| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| |
Abstract |
A facile high-viscosity-solvent method is presented to synthesize PtPd bimetallic nanocrystals highly dispersed in different mesostructures (2D and 3D structures), porosities (large and small pore sizes), and compositions (silica and carbon). Further, highly catalytic activity, stability and durability of the nanometals have been proven in different catalytic reactions. |
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Address |
State Key Laboratory Advanced Technology for Materials Synthesis and Processing, Wuhan University of Technology, 122, Luoshi Road, Wuhan, 430070, China. xyyang@whut.edu.cn |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
|
Editor |
|
| |
Language |
English |
Wos |
000378715400006 |
Publication Date |
2016-05-16 |
| |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
| |
ISSN |
1359-7345 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| |
Impact Factor |
6.319 |
Times cited |
19 |
Open Access |
|
| |
Notes |
This work was supported by NFSC (51472190 and 51503166), ISTCP (2015DFE52870), PCSIRT (IRT15R52) of China, and the Integrated Infrastructure Initiative of EU (312483-ESTEEM2).; esteem2jra4 |
Approved |
Most recent IF: 6.319 |
| |
Call Number |
c:irua:134660 c:irua:134660 |
Serial |
4110 |
| Permanent link to this record |
