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Records |
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Author |
Pour, M.D.; Motiee, N.; Barati, A.A.; Taheri, F.; Azadi, H.; Gebrehiwot, K.; Lebailly, P.; Van Passel, S.; Witlox, F. |
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Title |
Impacts of the Hara biosphere reserve on livelihood and welfare in Persian Gulf |
Type |
A1 Journal article |
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Year |
2017 |
Publication |
Ecological Economics |
Abbreviated Journal |
Ecol Econ |
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| |
Volume |
141 |
Issue |
|
Pages |
76-86 |
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| |
Keywords |
A1 Journal article; Economics; Engineering Management (ENM) |
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| |
Abstract |
Despite the importance of biosphere reserves in Iran's livelihood and welfare, the economic significance of Hara Biosphere Reserve has never been comprehensively studied. This study examines the current importance of Hara Biosphere Reserve (HBR) in local livelihood and welfare. Using a household survey, data were collected through a questionnaire, key informant interviews and direct observations. Two hundred and forty-four households were randomly selected from 10 villages through proportional sampling. Results showed that non-environmental income was the first driver of the total income, poverty alleviation and narrowing income inequality gap. Park income was the second. The results also showed that excluding park income from total income would significantly increase headcount poverty, widen the poverty gap, and raise the Gini coefficient. Wealthier households had the greatest absolute income from the environment, including forest, fishing and fodder. However, the poorest group had smallest absolute income from these sources. Thus, the study demonstrated that wealthier households are responsible for the overharvesting of environmental resources. Interestingly, the study showed that wealthier households are more dependent on profitable environmental incomes sources while the poorest are more dependent on non-profitable ones. (C) 2017 Elsevier B.V. All rights reserved. |
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Wos |
000410013200008 |
Publication Date |
2017-06-02 |
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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 |
0921-8009; 1873-6106 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles; WoS full record; WoS citing articles |
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| |
Impact Factor |
2.965 |
Times cited |
7 |
Open Access |
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Notes  |
; ; |
Approved |
Most recent IF: 2.965 |
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| |
Call Number |
UA @ admin @ c:irua:145602 |
Serial |
6214 |
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| Permanent link to this record |
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Author |
Peeters, L.; Schreurs, E.; Van Passel, S. |
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Title |
Heterogeneous impact of soil contamination on farmland prices in the Belgian Campine region : evidence from unconditional quantile regressions |
Type |
A1 Journal article |
| |
Year |
2017 |
Publication |
Environmental & Resource Economics |
Abbreviated Journal |
Environ Resour Econ |
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| |
Volume |
66 |
Issue |
1 |
Pages |
135-168 |
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Keywords |
A1 Journal article; Economics; Engineering Management (ENM) |
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| |
Abstract |
We estimate a hedonic-pricing model using geo-coded farmland-transaction data from the Campine region, situated in the north-east of Belgium. Unlike previous hedonic studies, we use the method of unconditional quantile regression (Firpo et al., in Econometrica 77(3):953973, 2009). An important advantage of this new method over the traditional conditional quantile regression (Koenker and Bassett, in Econometrica 46(1):3350, 1978) is that it allows for the estimation of potentially heterogeneous effects of cadmium pollution along the entire (unconditional) distribution of farmland prices. Using a threshold specification of the hedonic-pricing model, we find evidence of a U-shaped valuation pattern, where cadmium pollution of the soil has a negative and significant impact on prices only in the middle range of the distribution, insofar as cadmium concentrations are above the regulatory standard of 2 parts per million for agricultural land. Results obtained from a probit model to classify land plots into different price segments further suggest that the heterogeneous impact of soil pollution on price can be directly related to the variety of amenities that farmland provides. |
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Corporate Author |
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Place of Publication |
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Wos |
000391511800007 |
Publication Date |
2015-08-03 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0924-6460 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
1.582 |
Times cited |
4 |
Open Access |
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Notes |
; ; |
Approved |
Most recent IF: 1.582 |
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Call Number |
UA @ admin @ c:irua:139029 |
Serial |
6208 |
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| Permanent link to this record |
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Author |
Jorli, M.; Van Passel, S.; Sadeghi, H.; Nasseri, A.; Agheli, L. |
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Title |
Estimating human health impacts and costs due to Iranian fossil fuel power plant emissions through the impact pathway approach |
Type |
A1 Journal article |
| |
Year |
2017 |
Publication |
Energies |
Abbreviated Journal |
Energies |
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| |
Volume |
10 |
Issue |
12 |
Pages |
2136-29 |
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Keywords |
A1 Journal article; Economics; Engineering sciences. Technology; Engineering Management (ENM) |
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Abstract |
Air pollutants from fossil fuel fired power plants harm the environment and human health. More than 91% of Irans electricity production is from thermal power plants that use natural gas, diesel, and fuel oil. We apply the impact pathway approach to estimate the health impacts arising from Iranian fossil-based electricity generation emission, and in a next step, we calculate monetary costs of the estimated damages, for a one-year period starting from 20 March 2016 through 2017. We use the new version of SIMPACTS (International Atomic Energy Agency, Vienna, Austria) to investigate the health effects from 61 major Iran fossil-based power plants separately. The selected plants represent 95.6% of total Iran fossil-based power generation. Using the individual and different power plant estimates, we avoid extrapolation and our results can be considered more reliable, taking into account spatial differences. The total damage cost is 723.42 million USD (2000). The damage cost per generated electricity varies from 0.06 to 22.41 USD/MWh and average plant damage cost is 2.85 USD/MWh. Accounting for these external costs indicates the actual costs of fossil energy. The results are useful for policy makers to compare the health costs from these plants and to decide on cleaner energy sources and to take measures to increase benefits for society. |
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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 |
000423156900207 |
Publication Date |
2017-12-15 |
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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 |
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Series Issue |
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Edition |
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ISSN |
1996-1073 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.262 |
Times cited |
4 |
Open Access |
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Notes |
; ; |
Approved |
Most recent IF: 2.262 |
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Call Number |
UA @ admin @ c:irua:149041 |
Serial |
6200 |
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Author |
Béché, A.; Juchtmans, R.; Verbeeck, J. |
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Title |
Efficient creation of electron vortex beams for high resolution STEM imaging |
Type |
A1 Journal article |
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Year |
2017 |
Publication |
Ultramicroscopy |
Abbreviated Journal |
Ultramicroscopy |
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Volume |
178 |
Issue |
178 |
Pages |
12-19 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
The recent discovery of electron vortex beams carrying quantised angular momentum in the TEM has led to an active field of research, exploring a variety of potential applications including the possibility of mapping magnetic states at the atomic scale. A prerequisite for this is the availability of atomic sized electron vortex beams at high beam current and mode purity. In this paper we present recent progress showing that by making use of the Aharonov-Bohm effect near the tip of a long single domain ferromagnetic Nickel needle, a very efficient aperture for the production of electron vortex beams can be realised. The aperture transmits more than 99% of all electrons and provides a vortex mode purity of up to 92%. Placing this aperture in the condenser plane of a state of the art Cs corrected microscope allows us to demonstrate atomic resolution HAADF STEM images with spatial resolution better than 1 Angstrom, in agreement with theoretical expectations and only slightly inferior to the performance of a non-vortex probe on the same instrument. |
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Address |
EMAT, University of Antwerp, Groenenborgerlaan 171, 2020 Antwerp, Belgium |
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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 |
English |
Wos |
000403862900003 |
Publication Date |
2016-05-10 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0304-3991 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.843 |
Times cited |
30 |
Open Access |
OpenAccess |
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Notes |
A.B. and J.V. acknowledge funding from the European Research Council under the 7th Framework Program (FP7), ERC Starting Grant No. 278510 VORTEX. J.V. acknowledges funding from FWO project G.0044.13N ('Charge ordering').; ECASJO_; |
Approved |
Most recent IF: 2.843 |
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Call Number |
c:irua:134085 c:irua:134085UA @ admin @ c:irua:134085 |
Serial |
4094 |
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| Permanent link to this record |
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Author |
Van Laer, K.; Bogaerts, A. |
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Title |
Influence of Gap Size and Dielectric Constant of the Packing Material on the Plasma Behaviour in a Packed Bed DBD Reactor: A Fluid Modelling Study: Influence of Gap Size and Dielectric Constant… |
Type |
A1 Journal article |
| |
Year |
2017 |
Publication |
Plasma processes and polymers |
Abbreviated Journal |
Plasma Process Polym |
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Volume |
14 |
Issue |
14 |
Pages |
1600129 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
A packed bed dielectric barrier discharge (DBD) was studied by means of fluid modelling, to investigate the influence of the dielectric constant of the packing on the plasma characteristics, for two different gap sizes. The electric field strength and electron temperature are much more enhanced in a microgap reactor than
in a mm-gap reactor, leading to more current peaks per half-cycle, but also to non-quasineutral plasma. Increasing the dielectric constant enhances the electric field further, but only up to a certain value of dielectric constant, being 9 for a microgap and 100 for a mm-gap reactor. The enhanced electric field results in a higher electron temperature, but also lower electron density. This last one strongly affects the reaction rate. |
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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 |
000403074000010 |
Publication Date |
2016-09-19 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1612-8850 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
2.846 |
Times cited |
23 |
Open Access |
Not_Open_Access |
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Notes |
Acknowledgements: This research was carried out in the framework of the network on Physical Chemistry of Plasma- Surface Interactions – Interuniversity Attraction Poles, phase VII (http://psi-iap7.ulb.ac.be/), and supported by the Belgian Science Policy Office (BELSPO). K. Van Laer is indebted to the Institute for the Promotion of Innovation by Science and Technology in Flanders (IWT Flanders) for financial support. The calculations were carried out using the Turing HPC infrastructure at the CalcUA core facility of the Universiteit Antwerpen (UAntwerpen), a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government (department EWI) and the UAntwerpen. |
Approved |
Most recent IF: 2.846 |
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Call Number |
PLASMANT @ plasmant @ c:irua:142639 |
Serial |
4560 |
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Author |
Snoeckx, R.; Rabinovich, A.; Dobrynin, D.; Bogaerts, A.; Fridman, A. |
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Title |
Plasma-based liquefaction of methane: The road from hydrogen production to direct methane liquefaction |
Type |
A1 Journal article |
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Year |
2017 |
Publication |
Plasma processes and polymers |
Abbreviated Journal |
Plasma Process Polym |
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Volume |
14 |
Issue |
14 |
Pages |
1600115 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
For the energy industry, a process that is able to transform methane—being the prime component of natural gas—efficiently into a liquid product would be equivalent to a goose with golden eggs. As such it is no surprise that research efforts in this field already date back to the nineteen hundreds. Plasma technology can be considered to be a novel player in this field, but nevertheless one with great potential. Over the past decades this technology has evolved from sole hydrogen production, over indirect methane liquefaction to eventually direct plasma-assisted methane liquefaction processes. An overview of this evolution and these processes is presented, from which it becomes clear that the near future probably lies with the direct two phase plasma-assisted methane liquefaction and the far future with the direct oxidative methane liquefaction. |
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Corporate Author |
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Place of Publication |
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Wos |
000403699900008 |
Publication Date |
2016-10-28 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1612-8850 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.846 |
Times cited |
16 |
Open Access |
Not_Open_Access |
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Notes |
Advanced Plasma Solutions; Drexel University; Federaal Wetenschapsbeleid; Fonds De La Recherche Scientifique – FNRS, G038316N V403616N ; |
Approved |
Most recent IF: 2.846 |
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Call Number |
PLASMANT @ plasmant @ c:irua:144212 |
Serial |
4622 |
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Author |
Bliokh, K.Y.; Ivanov, I.P.; Guzzinati, G.; Clark, L.; Van Boxem, R.; Béché, A.; Juchtmans, R.; Alonso, M.A.; Schattschneider, P.; Nori, F.; Verbeeck, J. |
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Title |
Theory and applications of free-electron vortex states |
Type |
A1 Journal article |
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Year |
2017 |
Publication |
Physics reports |
Abbreviated Journal |
Phys Rep |
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Volume |
690 |
Issue |
690 |
Pages |
1-70 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
Both classical and quantum waves can form vortices: with helical phase fronts and azimuthal current densities. These features determine the intrinsic orbital angular momentum carried by localized vortex states. In the past 25 years, optical vortex beams have become an inherent part of modern optics, with many remarkable achievements and applications. In the past decade, it has been realized and demonstrated that such vortex beams or wavepackets can also appear in free electron waves, in particular, in electron microscopy. Interest in free-electron vortex states quickly spread over different areas of physics: from basic aspects of quantum mechanics, via applications for fine probing of matter (including individual atoms), to high-energy particle collision and radiation processes. Here we provide a comprehensive review of theoretical and experimental studies in this emerging field of research. We describe the main properties of electron vortex states, experimental achievements and possible applications within transmission electron microscopy, as well as the possible role of vortex electrons in relativistic and high-energy processes. We aim to provide a balanced description including a pedagogical introduction, solid theoretical basis, and a wide range of practical details. Special attention is paid to translate theoretical insights into suggestions for future experiments, in electron microscopy and beyond, in any situation where free electrons occur. |
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Corporate Author |
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Place of Publication |
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Editor |
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Language |
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Wos |
000406169900001 |
Publication Date |
2017-05-29 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0370-1573 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
17.425 |
Times cited |
210 |
Open Access |
OpenAccess |
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Notes |
AFOSR, FA9550-14-1-0040 ; CREST, JPMJCR1676 ; Portuguese Fundação para a Ciência e a Tecnologia (FCT), IF/00989/2014/CP1214/CT0004 ; Austrian Science Fund, I543-N20 ; ERC, 278510 VORTEX ; We acknowledge discussions with Mark R. Dennis and Andrei Afanasev. This work was supported by the RIKEN Interdisciplinary Theoretical Science Research Group (iTHES) Project, the Multi-University Research Initiative (MURI) Center for Dynamic Magneto-Optics via the Air Force Office of Scientific Research (AFOSR) (Grant No. FA9550-14-1-0040), Grant-in-Aid for Scientific Research (A), Core Research for Evolutionary Science and Technology (CREST), the John Templeton Foundation, the Australian Research Council, the Portuguese Funda¸c˜ao para a Ciˆencia e a Tecnologia (FCT) (contract IF/00989/2014/CP1214/CT0004 under the IF2014 Program), contracts UID/FIS/00777/2013 and CERN/FIS-NUC/0010/2015 (partially funded through POCTI, COMPETE, QREN, and the European Union), Austrian Science Fund Grant No. I543-N20, the European Research Council under the 7th Framework Program (FP7) (ERC Starting Grant No. 278510 VORTEX), and FWO PhD Fellowship grants (Aspirant Fonds Wetenschappelijk OnderzoekVlaanderen). |
Approved |
Most recent IF: 17.425 |
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Call Number |
EMAT @ emat @ c:irua:143262 |
Serial |
4574 |
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Author |
Asapu, R.; Claes, N.; Bals, S.; Denys, S.; Detavernier, C.; Lenaerts, S.; Verbruggen, S.W. |
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Title |
Silver-polymer core-shell nanoparticles for ultrastable plasmon-enhanced photocatalysis |
Type |
A1 Journal article |
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Year |
2017 |
Publication |
Applied catalysis : B : environmental |
Abbreviated Journal |
Appl Catal B-Environ |
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Volume |
200 |
Issue |
200 |
Pages |
31-38 |
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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 |
Affordable silver-polymer core-shell nanoparticles are prepared using the layer-by-layer (LbL) technique. The metallic silver core is encapsulated with an ultra-thin protective shell that prevents oxidation and clustering without compromising the plasmonic properties. The core-shell nanoparticles retain their plasmonic near field enhancement effect, as studied from finite element numerical simulations. Control over the shell thickness up to the sub-nanometer level is there for key. The particles are used to prepare a plasmonic Ag-TiO2 photocatalyst of which the gas phase photocatalytic activity is monitored over a period of four months. The described system outperforms pristine TiO2 and retains its plasmonic enhancement in contrast to TiO2 modified with bare silver nanoparticles. With this an important step is made toward the development of long-term stable plasmonic (photocatalytic) applications. |
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Place of Publication |
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Language |
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Wos |
000384775600004 |
Publication Date |
2016-06-28 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0926-3373 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
9.446 |
Times cited |
45 |
Open Access |
OpenAccess |
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Notes |
CD, SL and SWV acknowledge the Research Foundation − Flanders (FWO) for financial support. CD further acknowledges BOF-UGent (GOA 01G01513) and the Hercules Foundation (AUGE/09/014). SB acknowledges the European Research Council for the ERC Starting Grant #335078-COLOURATOM.; ECAS_Sara; (ROMEO:green; preprint:; postprint:can ; pdfversion:cannot); |
Approved |
Most recent IF: 9.446 |
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Call Number |
c:irua:134384 c:irua:134384UA @ admin @ c:irua:134384 |
Serial |
4104 |
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| Permanent link to this record |
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Author |
Esquivel, D.; Ouwehand, J.; Meledina, M.; Turner, S.; Tendeloo, G.V.; Romero-Salguero, F.J.; Clercq, J.D.; Voort, P.V.D. |
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Title |
Thiol-ethylene bridged PMO: A high capacity regenerable mercury adsorbent via intrapore mercury thiolate crystal formation |
Type |
A1 Journal article |
| |
Year |
2017 |
Publication |
Journal of hazardous materials |
Abbreviated Journal |
J Hazard Mater |
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Volume |
339 |
Issue |
339 |
Pages |
368-377 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
Highly ordered thiol-ethylene bridged Periodic Mesoporous Organosilicas were synthesized directly from a homemade thiol-functionalized bis-silane precursor. These high surface area materials contain up to 4.3 mmol/g sulfur functions in the walls and can adsorb up to 1183 mg/g mercury ions. Raman spectroscopy reveals the existence of thiol and disulfide moieties. These groups have been evaluated by a combination of Raman spectroscopy, Ellman’s reagent and elemental analysis. The adsorption of mercury ions was evidenced by different techniques, including Raman, XPS and porosimetry, which indicate that thiol groups are highly accessible to mercury. Scanning transmission electron microscopy combined with EDX showed an even homogenous distribution of the sulfur atoms throughout the structure, and have revealed for the first time that a fraction of the adsorbed mercury is forming thiolate nanocrystals in the pores. The adsorbent is highly selective for mercury and can be regenerated and reused multiple times, maintaining its structure and functionalities and showing only a marginal loss of adsorption capacity after several runs. |
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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 |
000407188200040 |
Publication Date |
2017-06-22 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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| |
ISSN |
0304-3894 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
6.065 |
Times cited |
12 |
Open Access |
OpenAccess |
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Notes |
D.E. thanks the F.W.O. Flanders (Fund Scientific Research) for a postdoctoral grant (3E10813W). J.O. acknowledges also F.W.O. Flanders, research project G006813N, and the research Board of Ghent University, UGent GOA (Concerted Research Actions) (grant 01G00710) for financial support. F. J. R.-S. acknowledges funding of this research by the Spanish Ministry of Economy and Competitiveness (Project MAT2013-44463-R), Andalusian Regional Government (FQM-346 group), and Feder Funds. The Titan microscope used for this investigation was partially funded by the Hercules foundation of the Flemish government. This work was supported by the Belgian IAP-PAI network. |
Approved |
Most recent IF: 6.065 |
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Call Number |
EMAT @ emat @ c:irua:144433 |
Serial |
4624 |
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| Permanent link to this record |
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Author |
Peters, J.L.; van den Bos, K.H.W.; Van Aert, S.; Goris, B.; Bals, S.; Vanmaekelbergh, D. |
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Title |
Ligand-Induced Shape Transformation of PbSe Nanocrystals |
Type |
A1 Journal article |
| |
Year |
2017 |
Publication |
Chemistry of materials |
Abbreviated Journal |
Chem Mater |
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Volume |
29 |
Issue |
29 |
Pages |
4122-4128 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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| |
Abstract |
We present a study of the relation between the surface chemistry and nanocrystal shape of PbSe nanocrystals with a variable Pb-to-Se stoichiometry and density of oleate ligands. The oleate ligand density and binding configuration are monitored by nuclear magnetic resonance and Fourier transform infrared absorbance spectroscopy, allowing us to quantify the number of surface-attached ligands per NC and the nature of the surface−Pb−oleate configuration. The three-dimensional shape of the PbSe nanocrystals is obtained from high-angle annular dark field scanning transmission electron microscopy combined with an atom counting method. We show that the enhanced oleate capping results in a stabilization and extension of the {111} facets, and a crystal shape transformation from a truncated nanocube to a truncated octahedron. |
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Place of Publication |
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Wos |
000401221700034 |
Publication Date |
2017-05-09 |
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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 |
0897-4756 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
9.466 |
Times cited |
45 |
Open Access |
OpenAccess |
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| |
Notes |
D.V. acknowledges the European Research Council, ERC advanced grant, Project 692691-First Step, for financial support. We also acknowledge the Dutch FOM programme “Designing Dirac carriers in honeycomb semiconductor superlattices” (FOM Program 152) for financial support. The authors gratefully acknowledge funding from the Research Foundation Flanders (G.036915, G.037413, and funding of a Ph.D. research grant to K.H.W.v.d.B. and a postdoctoral grant to B.G.). S.B. acknowledges the European Research Council, ERC Grant 335078-Colouratom. (ROMEO:white; preprint:; postprint:restricted 12 months embargo; pdfversion:cannot); ECAS_Sara |
Approved |
Most recent IF: 9.466 |
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| |
Call Number |
EMAT @ emat @ c:irua:143750 c:irua:142983UA @ admin @ c:irua:143750 |
Serial |
4571 |
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| Permanent link to this record |
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Author |
Aussems, D.U.B.; Bal, K. M.; Morgan, T.W.; van de Sanden, M.C.M.; Neyts, E.C. |
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Title |
Atomistic simulations of graphite etching at realistic time scales |
Type |
A1 Journal article |
| |
Year |
2017 |
Publication |
Chemical science |
Abbreviated Journal |
Chem Sci |
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| |
Volume |
8 |
Issue |
10 |
Pages |
7160-7168 |
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| |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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| |
Abstract |
Hydrogen–graphite interactions are relevant to a wide variety of applications, ranging from astrophysics to fusion devices and nano-electronics. In order to shed light on these interactions, atomistic simulation using Molecular Dynamics (MD) has been shown to be an invaluable tool. It suffers, however, from severe timescale
limitations. In this work we apply the recently developed Collective Variable-Driven Hyperdynamics (CVHD) method to hydrogen etching of graphite for varying inter-impact times up to a realistic value of 1 ms, which corresponds to a flux of 1020 m2 s1. The results show that the erosion yield, hydrogen surface coverage and species distribution are significantly affected by the time between impacts. This can be explained by the higher probability of C–C bond breaking due to the prolonged exposure to thermal stress and the subsequent transition from ion- to thermal-induced etching. This latter regime of thermal-induced etching – chemical erosion – is here accessed for the first time using atomistic simulations. In conclusion, this study demonstrates that accounting for long time-scales significantly affects ion bombardment simulations and should not be neglected in a wide range of conditions, in contrast to what is typically assumed. |
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Wos |
000411730500055 |
Publication Date |
2017-08-24 |
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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 |
2041-6520 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
8.668 |
Times cited |
3 |
Open Access |
OpenAccess |
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Notes |
DIFFER is part of the Netherlands Organisation for Scientic Research (NWO). K. M. B. is funded as a PhD fellow (aspirant) of the FWO-Flanders (Fund for Scientic Research-Flanders), Grant 11V8915N. The computational resources and services used in this work were provided by the VSC (Flemish Supercomputer Center), funded by the Research Foundation – Flanders (FWO) and the Flemish Government – department EWI. |
Approved |
Most recent IF: 8.668 |
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| |
Call Number |
PLASMANT @ plasmant @c:irua:145519 |
Serial |
4707 |
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| Permanent link to this record |
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Author |
Koelman, P.; Heijkers, S.; Tadayon Mousavi, S.; Graef, W.; Mihailova, D.; Kozak, T.; Bogaerts, A.; van Dijk, J. |
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Title |
A Comprehensive Chemical Model for the Splitting of CO2in Non-Equilibrium Plasmas: A Comprehensive Chemical Model for CO2Splitting |
Type |
A1 Journal article |
| |
Year |
2017 |
Publication |
Plasma processes and polymers |
Abbreviated Journal |
Plasma Process Polym |
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| |
Volume |
14 |
Issue |
14 |
Pages |
1600155 |
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| |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
An extensive CO2 plasmamodel is presented that is relevant for the production of ‘‘solar fuels.’’ It is based on reaction rate coefficients fromrigorously reviewed literature, and is augmented with reactionrate coefficients that are obtained fromscaling laws.The input data set,which is suitable for usage with the plasma simulation software Plasimo (https://plasimo.phys.tue.nl/), is available via the Plasimo and publisher’s websites.1 The correctness of this model implementation has been established by independent ZDPlasKin implementation (http://www.zdplaskin.
laplace.univ-tlse.fr/), to verify that the results agree. Results of these ‘‘global models’’ are presented for a DBD plasma reactor. |
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Place of Publication |
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Editor |
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Language |
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Wos |
000403074000009 |
Publication Date |
2016-10-17 |
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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 |
1612-8850 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
2.846 |
Times cited |
21 |
Open Access |
Not_Open_Access |
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Notes |
Dutch Technology Foundation STW; Ministerie van Economische Zaken; Hercules Foundation; Acknowledgements: This research is supported by the Dutch Technology Foundation STW, which is part of the Netherlands Organization for Scientific Research (NWO), and which is partly funded by the Ministry of Economic Affairs. Furthermore, we acknowledge financial support from the IAP/7 (Inter-university Attraction Pole) program PSI-Physical Chemistry of Plasma- Surface Interactions by the Belgian Federal Office for Science Policy (BELSPO). Part of the calculations were carried out using the Turing HPC infrastructure at the CalcUA core facility of the Universiteit Antwerpen (UAntwerpen), a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government (department EWI) and the UAntwerpen. |
Approved |
Most recent IF: 2.846 |
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| |
Call Number |
PLASMANT @ plasmant @ c:irua:142643 |
Serial |
4565 |
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Author |
Mernissi Cherigui, E.A.; Sentosun, K.; Bouckenooge, P.; Vanrompay, H.; Bals, S.; Terryn, H.; Ustarroz, J. |
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Title |
A Comprehensive Study of the Electrodeposition of Nickel Nanostructures from Deep Eutectic Solvents: Self-Limiting Growth by Electrolysis of Residual Water |
Type |
A1 Journal article |
| |
Year |
2017 |
Publication |
The journal of physical chemistry: C : nanomaterials and interfaces |
Abbreviated Journal |
J Phys Chem C |
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Volume |
121 |
Issue |
121 |
Pages |
9337-9347 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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Abstract |
The electrodeposition of nickel nanostructures on glassy carbon was investigated in 1:2 choline chloride – urea (1:2 ChCl-U) deep eutectic solvent (DES). By combining electrochemical techniques with ex-situ FE-SEM, XPS, HAADF-STEM and EDX, the electrochemical processes occurring during nickel deposition were better understood. Special attention was given to the interaction between the solvent and the growing nickel nanoparticles. The application of a suffciently negative potential results into the electrocatlytic hydrolisis of residual water in the DES, which leads to the formation of a mixed layer of Ni/Ni(OH)2(ads). In addition, hydrogen bonds between hydroxide species and the DES components could be formed, quenching the growth of the nickel clusters favouring their aggregation. Due to these processes, a highly dense distribution of nickel nanostructures can be obtained within a wide potential range. Understanding the role of residual water and the interactions at the interface during metal electrodeposition from DESs is essential to produce supported nanostructures in a controllable way for a broad range of applications and technologies. |
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Place of Publication |
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Wos |
000400881100027 |
Publication Date |
2017-04-12 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1932-7447 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
4.536 |
Times cited |
66 |
Open Access |
OpenAccess |
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| |
Notes |
E.A. Mernissi Cherigui acknowledges funding from the Fonds Wetenschappelijk Onderzoek in Flanders (FWO, research project G019014N). S. Bals acknowledges funding from the European Research Council (Starting Grant No. COLOURATOMS 335078). H.V. gratefully acknowledges financial support by the Flemish Fund for Scientifi c Research (FWO Vlaanderen). Finally, J. Ustarroz acknowledges funding from the Fonds Wetenschappelijk Onderzoek in Flanders (FWO, postdoctoral grant 12I7816N). (ROMEO:white; preprint:; postprint:restricted 12 months embargo; pdfversion:cannot); ECAS_Sara |
Approved |
Most recent IF: 4.536 |
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| |
Call Number |
EMAT @ emat @ c:irua:142208UA @ admin @ c:irua:142208 |
Serial |
4551 |
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Author |
Rumyantseva, M.N.; Vladimirova, S.A.; Vorobyeva, N.A.; Giebelhaus, I.; Mathur, S.; Chizhov, A.S.; Khmelevsky, N.O.; Aksenenko, A.Y.; Kozlovsky, V.F.; Karakulina, O.M.; Hadermann, J.; Abakumov, A.M.; Gaskov, A.M. |
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Title |
p -CoO x / n -SnO 2 nanostructures: New highly selective materials for H 2 S detection |
Type |
A1 Journal article |
| |
Year |
2017 |
Publication |
Sensors and actuators : B : chemical |
Abbreviated Journal |
Sensor Actuat B-Chem |
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Volume |
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Issue |
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Pages |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
Nanostructures p-CoOx/n-SnO2 based on tin oxide nanowires have been prepared by two step CVD technique and characterized in detail by XRD, XRF, XPS, HAADF-STEM imaging and EDX-STEM mapping. Depending on the temperature of decomposition of cobalt complex during the second step of CVD synthesis of nanostructures cobalt oxide forms a coating and/or isolated nanoparticles on SnO2 nanowire surface. It was found that cobalt presents in +2 and +3 oxidation states. The measurements of gas sensor properties have been carried out during exposure to CO (14 ppm), NH3 (21 ppm), and H2S (2 ppm) in dry air. The opposite trends were observed in the effect of cobalt oxide on the SnO2 gas sensitivity when detecting CO or NH3 in comparison to H2S. The decrease of sensor signal toward CO and NH3 was attributed to high catalytic activity of Co3O4 in oxidation of these gases. Contrary, the significant increase of sensor signal in the presence of H2S was attributed to the formation of metallic cobalt sulfide and removal of the barrier between p-CoOx and n-SnO2. This effect provides an excellent selectivity of p-CoOx/n-SnO2 nanostructures in H2S detection. |
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Corporate Author |
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Place of Publication |
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Wos |
000414151800068 |
Publication Date |
2017-08-17 |
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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 |
0925-4005 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
5.401 |
Times cited |
13 |
Open Access |
Not_Open_Access: Available from 10.10.2019
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Notes |
ERA-Net.Plus, 096 FONSENS ; |
Approved |
Most recent IF: 5.401 |
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Call Number |
EMAT @ emat @c:irua:145926 |
Serial |
4710 |
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Author |
Kurttepeli, M.; Deng, S.; Mattelaer, F.; Cott, D.J.; Vereecken, P.; Dendooven, J.; Detavernier, C.; Bals, S. |
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Title |
Heterogeneous TiO2/V2O5/Carbon Nanotube Electrodes for Lithium-Ion Batteries |
Type |
A1 Journal article |
| |
Year |
2017 |
Publication |
ACS applied materials and interfaces |
Abbreviated Journal |
Acs Appl Mater Inter |
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Volume |
9 |
Issue |
9 |
Pages |
8055-8064 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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Abstract |
Vanadium pentoxide (V2O5) is proposed and investigated as a cathode material for lithium-ion (Li-ion) batteries. However, the dissolution of V2O5 during the charge/discharge remains as an issue at the V2O5–electrolyte interface. In this work, we present a heterogeneous nanostructure with carbon nanotubes supported V2O5/titanium dioxide (TiO2) multilayers as electrodes for thin-film Li-ion batteries. Atomic layer deposition of V2O5 on carbon nanotubes provides enhanced Li storage capacity and high rate performance. An additional TiO2 layer leads to increased morphological stability and in return higher electrochemical cycling performance of V2O5/carbon nanotubes. The physical and chemical properties of TiO2/V2O5/carbon nanotubes are characterized by cyclic voltammetry and charge/discharge measurements as well as electron microscopy. The detailed mechanism of the protective TiO2 layer to improve the electrochemical cycling stability of the V2O5 is unveiled. |
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Place of Publication |
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Editor |
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Language |
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Wos |
000396186000021 |
Publication Date |
2017-03-08 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1944-8244 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
7.504 |
Times cited |
28 |
Open Access |
OpenAccess |
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Notes |
European Research Council, 239865 335078 ; Fonds Wetenschappelijk Onderzoek; Agentschap voor Innovatie door Wetenschap en Technologie, 18142 ; Bijzonder Onderzoeksfonds, GOA – 01G01513 ; This research was funded by the Flemish research foundation FWO-Vlaanderen, by the European Research Council (Starting Grant No. 239865 and No. 335078), by IWT-Flanders (SBO project IWT 18142 “SoS-Lion”) and by the Special Research Fund BOF of Ghent University (GOA – 01G01513); colouratoms (ROMEO:white; preprint:; postprint:restricted 12 months embargo; pdfversion:cannot); ECAS_Sara |
Approved |
Most recent IF: 7.504 |
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Call Number |
EMAT @ emat @ c:irua:142446UA @ admin @ c:irua:142446 |
Serial |
4572 |
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Author |
Belov, I.; Vanneste, J.; Aghaee, M.; Paulussen, S.; Bogaerts, A. |
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Title |
Synthesis of Micro- and Nanomaterials in CO2and CO Dielectric Barrier Discharges: Synthesis of Micro- and Nanomaterials… |
Type |
A1 Journal article |
| |
Year |
2017 |
Publication |
Plasma processes and polymers |
Abbreviated Journal |
Plasma Process Polym |
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Volume |
14 |
Issue |
14 |
Pages |
1600065 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
Dielectric Barrier Discharges operating in CO and CO2 form solid products at atmospheric pressure. The main differences between both plasmas and their deposits were analyzed, at similar energy input. GC measurements revealed a mixture of CO2, CO, and O2 in the CO2 DBD exhaust, while no O2 was found in the CO plasma. A coating of nanoparticles composed of Fe, O, and C was produced by the CO2 discharge, whereas, a microscopic dendrite-like carbon structure was formed in the CO plasma. Fe3O4 and Fe crystalline phases were found in the CO2 sample. The CO
deposition was characterized as an amorphous structure, close to polymeric CO (p-CO). Interestingly, p-CO is not formed in the CO2 plasma, in spite of the significant amounts of CO produced (up to 30% in the reactor exhaust). |
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Place of Publication |
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Language |
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Wos |
000397476000007 |
Publication Date |
2016-07-29 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1612-8850 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.846 |
Times cited |
10 |
Open Access |
Not_Open_Access |
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Notes |
European Union Seventh Framework Programme FP7-PEOPLE-2013-ITN, 606889 ; |
Approved |
Most recent IF: 2.846 |
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Call Number |
PLASMANT @ plasmant @ c:irua:141759 |
Serial |
4487 |
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Author |
Heijkers, S.; Bogaerts, A. |
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Title |
CO2Conversion in a Gliding Arc Plasmatron: Elucidating the Chemistry through Kinetic Modeling |
Type |
A1 Journal article |
| |
Year |
2017 |
Publication |
The journal of physical chemistry: C : nanomaterials and interfaces |
Abbreviated Journal |
J Phys Chem C |
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Volume |
121 |
Issue |
41 |
Pages |
22644-22655 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
By means of chemical kinetics modeling, it is possible to elucidate the main dissociation mechanisms of CO2 in a gliding arc plasmatron (GAP). We obtain good agreement between the calculated and experimental conversions and energy efficiencies, indicating that the model can indeed be used to study the underlying mechanisms. The calculations predict that vibration-induced dissociation is the main dissociation mechanism of CO2, but it occurs mainly from the lowest vibrational levels because of fast thermalization of the vibrational distribution. Based on these findings, we propose ideas for improving the performance of the GAP, but testing of these ideas in the simulations reveals that they do not always lead to significant enhancement, because of other side effects, thus illustrating the complexity of the process. Nevertheless, the model allows more insight into the underlying mechanisms to be obtained and limitations to be identified. |
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Place of Publication |
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Wos |
000413617900007 |
Publication Date |
2017-10-19 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1932-7447 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
4.536 |
Times cited |
6 |
Open Access |
OpenAccess |
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Notes |
Federaal Wetenschapsbeleid, IAP/7 ; Fonds Wetenschappelijk Onderzoek, G.0383.16N ; |
Approved |
Most recent IF: 4.536 |
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Call Number |
PLASMANT @ plasmant @c:irua:147436 |
Serial |
4801 |
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Author |
Berthelot, A.; Bogaerts, A. |
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Title |
Modeling of CO2Splitting in a Microwave Plasma: How to Improve the Conversion and Energy Efficiency |
Type |
A1 Journal article |
| |
Year |
2017 |
Publication |
The journal of physical chemistry: C : nanomaterials and interfaces |
Abbreviated Journal |
J Phys Chem C |
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Volume |
121 |
Issue |
121 |
Pages |
8236-8251 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
Microwave plasmas are one of the most promising techniques for CO2 conversion into value-added chemicals and fuels since they are very energy efficient. Nevertheless, experiments show that this high energy efficiency is only reached at low pressures and significantly drops toward atmospheric pressure, which is a clear limitation for industrial applications. In this paper, we use a zerodimensional reaction kinetics model to simulate a CO2 microwave plasma in a pressure range from 50 mbar to 1 bar, in order to evaluate the reasons for this decrease in energy efficiency at atmospheric pressure. The code includes a detailed description of the vibrational kinetics of CO2, CO, and O2 as well as the energy exchanges between them because the vibrational kinetics is known to be crucial for energy efficient CO2 splitting. First, we use a self-consistent gas temperature calculation in order to assess the key performance indicators for CO2 splitting, i.e., the CO2 conversion and corresponding energy efficiency. Our results indicate that lower pressures and higher power densities lead to more vibrational excitation, which is beneficial for the conversion. We also demonstrate the key role of the gas temperature. The model predicts the highest conversion and energy efficiencies at pressures around 300 mbar, which is in agreement with experiments from the literature. We also show the beneficial aspect of fast gas cooling in the afterglow at high pressure. In a second step, we study in more detail the effects of pressure, gas temperature, and power density on the vibrational distribution function and on the dissociation and recombination mechanisms of CO2, which define the CO2 splitting efficiency. This study allows us to identify the limiting factors of CO2 conversion and to propose potential solutions to improve the 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 |
000400039300002 |
Publication Date |
2017-04-20 |
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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 |
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Edition |
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ISSN |
1932-7447 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
4.536 |
Times cited |
47 |
Open Access |
OpenAccess |
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Notes |
Federaal Wetenschapsbeleid; |
Approved |
Most recent IF: 4.536 |
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Call Number |
PLASMANT @ plasmant @ c:irua:142809 |
Serial |
4567 |
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Author |
Georgieva, V.; Berthelot, A.; Silva, T.; Kolev, S.; Graef, W.; Britun, N.; Chen, G.; van der Mullen, J.; Godfroid, T.; Mihailova, D.; van Dijk, J.; Snyders, R.; Bogaerts, A.; Delplancke-Ogletree, M.-P. |
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Title |
Understanding Microwave Surface-Wave Sustained Plasmas at Intermediate Pressure by 2D Modeling and Experiments: Understanding Microwave Surface-Wave Sustained Plasmas … |
Type |
A1 Journal article |
| |
Year |
2017 |
Publication |
Plasma processes and polymers |
Abbreviated Journal |
Plasma Process Polym |
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| |
Volume |
14 |
Issue |
14 |
Pages |
1600185 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
An Ar plasma sustained by a surfaguide wave launcher is investigated at intermediate pressure (200–2667 Pa). Two 2D self-consistent models (quasi-neutral and plasma bulk-sheath) are developed and benchmarked. The complete set of electromagnetic and fluid equations and the boundary conditions are presented. The transformation of fluid equations from a local reference frame, that is, moving with plasma or when the gas flow is zero, to a laboratory reference frame, that is,
accounting for the gas flow, is discussed. The pressure range is extended down to 80 Pa by experimental measurements. The electron temperature decreases with pressure. The electron density depends linearly on power, and changes its behavior with pressure depending on the product of pressure and radial plasma size. |
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Wos |
000403074000012 |
Publication Date |
2016-11-17 |
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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 |
1612-8850 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
2.846 |
Times cited |
8 |
Open Access |
Not_Open_Access |
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Notes |
Federaal Wetenschapsbeleid; European Marie Curie RAPID project; European Union's Seventh Framework Programme, 606889 ; |
Approved |
Most recent IF: 2.846 |
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| |
Call Number |
PLASMANT @ plasmant @ c:irua:142807 |
Serial |
4568 |
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| Permanent link to this record |
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Author |
Ramakers, M.; Trenchev, G.; Heijkers, S.; Wang, W.; Bogaerts, A. |
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Title |
Gliding Arc Plasmatron: Providing an Alternative Method for Carbon Dioxide Conversion |
Type |
A1 Journal article |
| |
Year |
2017 |
Publication |
Chemsuschem |
Abbreviated Journal |
Chemsuschem |
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| |
Volume |
10 |
Issue |
10 |
Pages |
2642-2652 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
Low-temperature plasmas are gaining a lot of interest for environmental and energy applications. A large research field in these applications is the conversion of CO2 into chemicals and fuels. Since CO2 is a very stable molecule, a key performance indicator for the research on plasma-based CO2 conversion is the energy efficiency. Until now, the energy efficiency in atmospheric plasma reactors is quite low, and therefore we employ here a novel type of plasma reactor, the gliding arc plasmatron (GAP). This paper provides a detailed experimental and computational study of the CO2 conversion, as well as the energy cost and efficiency in a GAP. A comparison with thermal conversion, other plasma types and other novel CO2 conversion technologies is made to find out whether this novel plasma reactor can provide a significant contribution to the much-needed efficient conversion of CO2. From these comparisons it becomes evident that our results are less than a factor of two away from being cost competitive and already outperform several other new technologies. Furthermore, we indicate how the performance of the GAP can still be improved by further exploiting its non-equilibrium character. Hence, it is clear that the GAP is very promising for CO2 conversion. |
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Place of Publication |
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Wos |
000403934400014 |
Publication Date |
2017-05-22 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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| |
ISSN |
1864-5631 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
7.226 |
Times cited |
42 |
Open Access |
OpenAccess |
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| |
Notes |
Federaal Wetenschapsbeleid; Fonds Wetenschappelijk Onderzoek, G.0383.16N 11U5316N ; Horizon 2020, 657304 ; |
Approved |
Most recent IF: 7.226 |
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| |
Call Number |
PLASMANT @ plasmant @ c:irua:144184 |
Serial |
4616 |
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| Permanent link to this record |
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Author |
Shirazi, M.; Bogaerts, A.; Neyts, E.C. |
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Title |
A DFT study of H-dissolution into the bulk of a crystalline Ni(111) surface: a chemical identifier for the reaction kinetics |
Type |
A1 Journal article |
| |
Year |
2017 |
Publication |
Physical chemistry, chemical physics |
Abbreviated Journal |
Phys Chem Chem Phys |
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| |
Volume |
19 |
Issue |
19 |
Pages |
19150-19158 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
In this study, we investigated the diffusion of H-atoms to the subsurface and their further diffusion into the bulk of a Ni(111) crystal by means of density functional theory calculations in the context of thermal and plasma-assisted catalysis. The H-atoms at the surface can originate from the dissociative adsorption of H2 or CH4 molecules, determining the surface H-coverage. When a threshold H-coverage is passed, corresponding to 1.00 ML for the crystalline Ni(111) surface, the surface-bound H-atoms start to diffuse to the subsurface. A similar threshold coverage is observed for the interstitial H-coverage. Once the interstitial sites are filled up with a coverage above 1.00 ML of H, dissolution of interstitial H-atoms to the layer below the interstitial sites will be initiated. Hence, by applying a high pressure or inducing a reactive plasma and high temperature, increasing the H-flux to the surface, a large amount of hydrogen can diffuse in a crystalline metal like Ni and can be absorbed. The formation of metal hydride may modify the entire reaction kinetics of the system. Equivalently, the H-atoms in the bulk can easily go back to the surface and release a large amount of heat. In a plasma process, H-atoms are formed in the plasma, and therefore the energy barrier for dissociative adsorption is dismissed, thus allowing achievement of the threshold coverage without applying a high pressure as in a thermal process. As a result, depending on the crystal plane and type of metal, a large number of H-atoms can be dissolved (absorbed) in the metal catalyst, explaining the high efficiency of plasma-assisted catalytic reactions. Here, the mechanism of H-dissolution is established as a chemical identifier for the investigation of the reaction kinetics of a chemical process. |
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Corporate Author |
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Place of Publication |
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Editor |
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Language |
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Wos |
000406334300034 |
Publication Date |
2017-06-22 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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| |
ISSN |
1463-9076 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
4.123 |
Times cited |
10 |
Open Access |
OpenAccess |
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Notes |
Financial support from the Reactive Atmospheric Plasma processIng – eDucation (RAPID) network, through the EU 7th Framework Programme (grant agreement no. 606889), is gratefully acknowledged. The calculations were performed using the Turing HPC infrastructure at the CalcUA core facility of the Universiteit Antwerpen, a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government department (EWI) and the Universiteit Antwerpen. |
Approved |
Most recent IF: 4.123 |
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| |
Call Number |
PLASMANT @ plasmant @ c:irua:144794 |
Serial |
4633 |
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| Permanent link to this record |
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|
Author |
Shirazi, M.; Neyts, E.C.; Bogaerts, A. |
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Title |
DFT study of Ni-catalyzed plasma dry reforming of methane |
Type |
A1 Journal article |
| |
Year |
2017 |
Publication |
Applied catalysis : B : environmental |
Abbreviated Journal |
Appl Catal B-Environ |
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| |
Volume |
205 |
Issue |
205 |
Pages |
605-614 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
tWe investigated the plasma-assisted catalytic reactions for the production of value-added chemicalsfrom Ni-catalyzed plasma dry reforming of methane by means of density functional theory (DFT). Weinspected many activation barriers, from the early stage of adsorption of the major chemical fragmentsderived fromCH4andCO2molecules up to the formation of value-added chemicals at the surface, focusingon the formation of methanol, as well as the hydrogenation of C1and C2hydrocarbon fragments. Theactivation barrier calculations show that the presence of surface-bound H atoms and in some cases alsoremaining chemical fragments at the surface facilitates the formation of products. This implies that thehydrogenation of a chemical fragment on the hydrogenated crystalline surface is energetically favouredcompared to the simple hydrogenation of the chemical fragment at the bare Ni(111) surface. Indeed, thepresence of hydrogen modifies the electronic structure of the surface and the course of the reactions.We therefore conclude that surface-bound H atoms, and to some extent also the remaining chemicalfragments at the crystalline surface, induce the following effects: they facilitate associative desorption ofmethanol and ethane by increasing the rate of H-transfer to the adsorbed fragments while they impedehydrogenation of ethylene to ethane, thus promoting again the desorption of ethylene. Overall, they thusfacilitate the catalytic conversion of the formed fragments from CH4and CO2, into value-added chemicals.Finally, we believe that the retention of methane fragments, especially CH3, in the presence of surface-boundHatoms (as observed here for Ni) can be regarded as an identifier for the proper choice of a catalystfor the production of value-added chemicals. |
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Place of Publication |
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Language |
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Wos |
000393931000063 |
Publication Date |
2017-01-05 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0926-3373 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
9.446 |
Times cited |
26 |
Open Access |
OpenAccess |
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Notes |
Financial support from the Reactive Atmospheric Plasmaprocessing –eDucation network (RAPID), through the EU 7thFramework Programme (grant agreement no. 606889) is grate-fully acknowledged. The calculations were performed using theTuring HPC infrastructure at the CalcUA core facility of the Univer-siteit Antwerpen, a division of the Flemish Supercomputer CenterVSC, funded by the Hercules Foundation, the Flemish |
Approved |
Most recent IF: 9.446 |
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Call Number |
PLASMANT @ plasmant @ c:irua:139514 |
Serial |
4343 |
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| Permanent link to this record |
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Author |
Pullini, D.; Sgroi, M.; Mahmoud, A.; Gauquelin, N.; Maschio, L.; Lorenzo-Ferrari, A.M.; Groenen, R.; Damen, C.; Rijnders, G.; van den Bos, K.H.W.; Van Aert, S.; Verbeeck, J. |
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Title |
One step toward a new generation of C-MOS compatible oxide p-n junctions: Structure of the LSMO/ZnO interface elucidated by an experimental and theoretical synergic work |
Type |
A1 Journal article |
| |
Year |
2017 |
Publication |
ACS applied materials and interfaces |
Abbreviated Journal |
Acs Appl Mater Inter |
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Volume |
9 |
Issue |
9 |
Pages |
20974-20980 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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Abstract |
Heterostructures formed by La0.7Sr0.3MnO3/ZnO (LSMO/ZnO) interfaces exhibit extremely interesting electronic properties making them promising candidates for novel oxide p–n junctions, with multifunctional features. In this work, the structure of the interface is studied through a combined experimental/theoretical approach. Heterostructures were grown epitaxially and homogeneously on 4″ silicon wafers, characterized by advanced electron microscopy imaging and spectroscopy and simulated by ab initio density functional theory calculations. The simulation results suggest that the most stable interface configuration is composed of the (001) face of LSMO, with the LaO planes exposed, in contact with the (112̅0) face of ZnO. The ab initio predictions agree well with experimental high-angle annular dark field scanning transmission electron microscopy images and confirm the validity of the suggested structural model. Electron energy loss spectroscopy confirms the atomic sharpness of the interface. From statistical parameter estimation theory, it has been found that the distances between the interfacial planes are displaced from the respective ones of the bulk material. This can be ascribed to the strain induced by the mismatch between the lattices of the two materials employed |
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Place of Publication |
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Wos |
000404090000079 |
Publication Date |
2017-05-25 |
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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 |
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Series Issue |
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Edition |
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ISSN |
1944-8244 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
7.504 |
Times cited |
4 |
Open Access |
OpenAccess |
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Notes |
Financial support is acknowledged from the European Commission – DG research and innovation to the collaborative research project named Interfacing oxides (IFOX, Contract No. NMP3-LA-2010-246102). N.G. and J.V. acknowledge the European Union (EU) Council under the 7th Framework Program (FP7) ERC Starting Grant 278510 VORTEX for support. S.V.A. and K.H.W.B. acknowledge financial support from the Research Foundation Flanders through project fundings (G.0374.13N , G.0368.15N, and G.0369.15N) and a Ph.D. research grant to K.H.W.B. The microscope was partly funded by the Hercules Fund from the Flemish Government. The microscope used in this work was partly funded by the Hercules Fund from the Flemish Government. CINECA is acknowledged for computational facilities (Iscra project HP10CMO1UP). |
Approved |
Most recent IF: 7.504 |
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Call Number |
EMAT @ emat @ c:irua:144431UA @ admin @ c:irua:144431 |
Serial |
4621 |
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Author |
Asapu, R.; Ciocarlan, R.-G.; Claes, N.; Blommaerts, N.; Minjauw, M.; Ahmad, T.; Dendooven, J.; Cool, P.; Bals, S.; Denys, S.; Detavernier, C.; Lenaerts, S.; Verbruggen, S.W. |
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Title |
Plasmonic Near-Field Localization of Silver Core–Shell Nanoparticle Assemblies via Wet Chemistry Nanogap Engineering |
Type |
A1 Journal article |
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Year |
2017 |
Publication |
ACS applied materials and interfaces |
Abbreviated Journal |
Acs Appl Mater Inter |
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Volume |
9 |
Issue |
9 |
Pages |
41577-41585 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
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Abstract |
Silver nanoparticles are widely used in the field of plasmonics because of their unique optical properties. The wavelength-dependent surface plasmon resonance gives rise to a strongly enhanced electromagnetic field, especially at so-called hot spots located in the nanogap in-between metal nanoparticle assemblies. Therefore, the interparticle distance is a decisive factor in plasmonic applications, such as surface-enhanced Raman spectroscopy (SERS). In this study, the aim is to engineer this interparticle distance for silver nanospheres using a convenient wet-chemical approach and to predict and quantify the corresponding enhancement factor using both theoretical and experimental tools. This was done by building a tunable ultrathin polymer shell around the nanoparticles using the layer-by-layer method, in which the polymer shell acts as the separating interparticle spacer layer. Comparison of different theoretical approaches and corroborating the results with SERS analytical experiments using silver and silver−polymer core−shell nanoparticle clusters as SERS substrates was also done. Herewith, an approach is provided to estimate the extent of plasmonic near-field enhancement both theoretically as well as experimentally. |
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Place of Publication |
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Wos |
000417005900057 |
Publication Date |
2017-11-29 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1944-8244 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
7.504 |
Times cited |
29 |
Open Access |
OpenAccess |
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Notes |
financial support through a research fellowship. C.D. wishes to thank the Hercules foundation for the financial support (SPINAL). P.C. and R.-G.C. acknowledge financial support by FWO Vlaanderen (project no. G038215N). N.C. and S.B. acknowledge the financial support from the European Research Council (ERC starting grant #335078-COLOURATOM). (ROMEO:white; preprint:; postprint:restricted 12 months embargo; pdfversion:cannot); saraecas; ECAS_Sara; |
Approved |
Most recent IF: 7.504 |
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Call Number |
EMAT @ emat @c:irua:147243 |
Serial |
4804 |
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Author |
Tinck, S.; Tillocher, T.; Georgieva, V.; Dussart, R.; Neyts, E.; Bogaerts, A. |
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Title |
Concurrent effects of wafer temperature and oxygen fraction on cryogenic silicon etching with SF6/O2plasmas |
Type |
A1 Journal article |
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Year |
2017 |
Publication |
Plasma processes and polymers |
Abbreviated Journal |
Plasma Process Polym |
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Volume |
14 |
Issue |
9 |
Pages |
1700018 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
Cryogenic plasma etching is a promising technique for high-control wafer development with limited plasma induced damage. Cryogenic wafer temperatures effectively reduce surface damage during etching, but the fundamental mechanism is not well understood. In this study, the influences of wafer temperature, gas mixture and substrate bias on the (cryogenic) etch rates of Si with SF6/O2 inductively coupled plasmas are experimentally and computationally investigated. The etch rates are measured in situ with double-point reflectometry and a hybrid computational Monte Carlo – fluid model is applied to calculate plasma properties. This work allows the reader to obtain a better insight in the effects of wafer temperature on the etch rate and to find operating conditions for successful anisotropic (cryo)etching. |
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Place of Publication |
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Wos |
000410773200012 |
Publication Date |
2017-04-03 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1612-8850 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.846 |
Times cited |
|
Open Access |
Not_Open_Access |
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Notes |
Fonds Wetenschappelijk Onderzoek, 0880.212.840 ; Hercules Foundation; Flemish Government (Department EWI); Universiteit Antwerpen; |
Approved |
Most recent IF: 2.846 |
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Call Number |
PLASMANT @ plasmant @c:irua:145637 |
Serial |
4708 |
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Author |
Razzokov, J.; Yusupov, M.; Vanuytsel, S.; Neyts, E.C.; Bogaerts, A. |
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Title |
Phosphatidylserine flip-flop induced by oxidation of the plasma membrane: a better insight by atomic scale modeling |
Type |
A1 Journal article |
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Year |
2017 |
Publication |
Plasma processes and polymers |
Abbreviated Journal |
Plasma Process Polym |
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Volume |
14 |
Issue |
10 |
Pages |
1700013 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
We perform molecular dynamics simulations to study the flip-flop motion of phosphatidylserine (PS) across the plasma membrane upon increasing oxidation degree of the membrane. Our computational results show that an increase of the oxidation degree in the lipids leads to a decrease of the free energy barrier for translocation of PS through the membrane. In other words, oxidation of the lipids facilitates PS flip-flop motion across the membrane, because in native phospholipid bilayers this is only a “rare event” due to the high energy barriers for the translocation of PS. The present study provides an atomic-scale insight into the mechanisms of the PS flip-flop upon oxidation of lipids, as produced for example by cold atmospheric plasma, in living cells. |
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Place of Publication |
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Language |
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Wos |
000413045800010 |
Publication Date |
2017-04-05 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1612-8850 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.846 |
Times cited |
9 |
Open Access |
Not_Open_Access |
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Notes |
Fonds Wetenschappelijk Onderzoek, 1200216N ; |
Approved |
Most recent IF: 2.846 |
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Call Number |
PLASMANT @ plasmant @c:irua:149567 |
Serial |
4910 |
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Author |
Khalilov, U.; Bogaerts, A.; Neyts, E.C. |
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Title |
Toward the Understanding of Selective Si Nano-Oxidation by Atomic Scale Simulations |
Type |
A1 Journal article |
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Year |
2017 |
Publication |
Accounts of chemical research |
Abbreviated Journal |
Accounts Chem Res |
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Volume |
50 |
Issue |
50 |
Pages |
796-804 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
The continuous miniaturization of nanodevices, such as transistors, solar cells, and optical fibers, requires the controlled synthesis of (ultra)thin gate oxides (<10 nm), including Si gate-oxide (SiO2) with high quality at the atomic scale. Traditional thermal growth of SiO2 on planar Si surfaces, however, does not allow one to obtain such ultrathin oxide due to either the high oxygen diffusivity at high temperature or the very low sticking ability of incident oxygen at low temperature. Two recent techniques, both operative at low (room) temperature, have been put forward to overcome these obstacles: (i) hyperthermal oxidation of planar Si surfaces and (ii) thermal or plasma-assisted oxidation of nonplanar Si surfaces, including Si nanowires (SiNWs). These nanooxidation processes are, however, often difficult to study experimentally, due to the key intermediate processes taking place on the nanosecond time scale.
In this Account, these Si nano-oxidation techniques are discussed from a computational point of view and compared to both hyperthermal and thermal oxidation experiments, as well as to well-known models of thermal oxidation, including the Deal−Grove, Cabrera−Mott, and Kao models and several alternative mechanisms. In our studies, we use reactive molecular dynamics (MD) and hybrid MD/Monte Carlo simulation techniques, applying the Reax force field. The incident energy of oxygen species is chosen in the range of 1−5 eV in hyperthermal oxidation of planar Si surfaces in order to prevent energy-induced damage. It turns out that hyperthermal growth allows for two growth modes, where the ultrathin oxide thickness depends on either (1) only the kinetic energy of the incident oxygen species at a growth temperature below Ttrans = 600 K, or (2) both the incident energy and the growth temperature at a growth temperature above Ttrans. These modes are specific to such ultrathin oxides, and are not observed in traditional thermal oxidation, nor theoretically considered by already existing models. In the case of thermal or plasma-assisted oxidation of small Si nanowires, on the other hand, the thickness of the ultrathin oxide is a function of the growth temperature and the nanowire diameter. Below Ttrans, which varies with the nanowire diameter, partially oxidized SiNW are formed, whereas complete oxidation to a SiO2 nanowire occurs only above Ttrans. In both nano-oxidation processes at lower temperature (T < Ttrans), final sandwich c-Si|SiOx|a-SiO2 structures are obtained due to a competition between overcoming the energy barrier to penetrate into Si subsurface layers and the compressive stress (∼2−3 GPa) at the Si crystal/oxide interface. The overall atomic-simulation results strongly indicate that the thickness of the intermediate SiOx (x < 2) region is very limited (∼0.5 nm) and constant irrespective of oxidation parameters. Thus, control over the ultrathin SiO2 thickness with good quality is indeed possible by accurately tuning the oxidant energy, oxidation temperature and surface curvature.
In general, we discuss and put in perspective these two oxidation mechanisms for obtaining controllable ultrathin gate-oxide films, offering a new route toward the fabrication of nanodevices via selective nano-oxidation. |
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Place of Publication |
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Language |
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Wos |
000399859800016 |
Publication Date |
2017-04-18 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0001-4842 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
20.268 |
Times cited |
5 |
Open Access |
OpenAccess |
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Notes |
Fonds Wetenschappelijk Onderzoek, 12M1315N ; |
Approved |
Most recent IF: 20.268 |
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Call Number |
PLASMANT @ plasmant @ c:irua:142638 |
Serial |
4561 |
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Author |
Callewaert, V.; Saniz, R.; Barbiellini, B.; Bansil, A.; Partoens, B. |
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Title |
Application of the weighted-density approximation to the accurate description of electron-positron correlation effects in materials |
Type |
A1 Journal article |
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Year |
2017 |
Publication |
Physical review B |
Abbreviated Journal |
Phys Rev B |
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Volume |
96 |
Issue |
8 |
Pages |
085135 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
We discuss positron-annihilation lifetimes for a set of illustrative bulk materials within the framework of the weighted-density approximation (WDA). The WDA can correctly describe electron-positron correlations in strongly inhomogeneous systems, such as surfaces, where the applicability of (semi-)local approximations is limited. We analyze the WDA in detail and show that the electrons which cannot screen external charges efficiently, such as the core electrons, cannot be treated accurately via the pair correlation of the homogeneous electron gas. We discuss how this problem can be addressed by reducing the screening in the homogeneous electron gas by adding terms depending on the gradient of the electron density. Further improvements are obtained when core electrons are treated within the LDA and the valence electron using the WDA. Finally, we discuss a semiempirical WDA-based approach in which a sum rule is imposed to reproduce the experimental lifetimes. |
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Wos |
000408342600003 |
Publication Date |
2017-08-24 |
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Series Issue |
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Edition |
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ISSN |
2469-9950 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.836 |
Times cited |
6 |
Open Access |
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Notes |
Fonds Wetenschappelijk Onderzoek, G. 0224.14N ; U.S. Department of Energy, DE-FG02-07ER46352 DE-AC02-05CH11231 DE-SC0012575 ; |
Approved |
Most recent IF: 3.836 |
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Call Number |
CMT @ cmt @c:irua:145703 |
Serial |
4703 |
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Author |
Cleiren, E.; Heijkers, S.; Ramakers, M.; Bogaerts, A. |
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Title |
Dry Reforming of Methane in a Gliding Arc Plasmatron: Towards a Better Understanding of the Plasma Chemistry |
Type |
A1 Journal article |
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Year |
2017 |
Publication |
Chemsuschem |
Abbreviated Journal |
Chemsuschem |
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Volume |
10 |
Issue |
20 |
Pages |
4025-4036 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
Dry reforming of methane (DRM) in a gliding arc plasmatron is studied for different CH4 fractions in the mixture. The CO2 and CH4 conversions reach their highest values of approximately 18 and 10%, respectively, at 25% CH4 in the gas mixture, corresponding to an overall energy cost of 10 kJ L@1 (or 2.5 eV per molecule) and an energy efficiency of 66%. CO and H2 are the major products, with the formation of smaller fractions of C2Hx (x=2, 4, or 6) compounds and H2O. A chemical kinetics model is used to investigate the underlying chemical processes. The calculated CO2 and CH4 conversion and the energy efficiency are in good agreement with the experimental data. The model calculations reveal that the reaction of CO2 (mainly at vibrationally excited levels) with H radicals is mainly responsible for
the CO2 conversion, especially at higher CH4 fractions in the mixture, which explains why the CO2 conversion increases with increasing CH4 fraction. The main process responsible for CH4 conversion is the reaction with OH radicals. The excellent energy efficiency can be explained by the non-equilibrium character of the plasma, in which the electrons mainly activate the gas molecules, and by the important role of the vibrational kinetics of CO2. The results demonstrate that a gliding arc plasmatron is very promising for DRM. |
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Wos |
000413565100012 |
Publication Date |
2017-10-02 |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1864-5631 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
7.226 |
Times cited |
23 |
Open Access |
OpenAccess |
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Notes |
Fonds Wetenschappelijk Onderzoek, G.0383.16N ; Federaal Wetenschapsbeleid; |
Approved |
Most recent IF: 7.226 |
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Call Number |
PLASMANT @ plasmant @c:irua:146665 |
Serial |
4759 |
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Author |
Tunca, B.; Lapauw, T.; Karakulina, O.M.; Batuk, M.; Cabioc’h, T.; Hadermann, J.; Delville, R.; Lambrinou, K.; Vleugels, J. |
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Title |
Synthesis of MAX Phases in the Zr-Ti-Al-C System |
Type |
A1 Journal article |
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Year |
2017 |
Publication |
Inorganic chemistry |
Abbreviated Journal |
Inorg Chem |
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Volume |
56 |
Issue |
56 |
Pages |
3489-3498 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
This study reports on the synthesis and characterization of MAX phases in the (Zr,Ti)n+1AlCn system. The MAX phases were synthesized by reactive hot pressing and pressureless sintering in the 1350–1700 °C temperature range. The produced ceramics contained large fractions of 211 and 312 (n = 1, 2) MAX phases, while strong evidence of a 413 (n = 3) stacking was found. Moreover, (Zr,Ti)C, ZrAl2, ZrAl3, and Zr2Al3 were present as secondary phases. In general, the lattice parameters of the hexagonal 211 and 312 phases followed Vegard’s law over the complete Zr-Ti solid solution range, but the 312 phase showed a non-negligible deviation from Vegard’s law around the (Zr0.33,Ti0.67)3Al1.2C1.6 stoichiometry. High-resolution scanning transmission electron microscopy combined with X-ray diffraction demonstrated ordering of the Zr and Ti atoms in the 312 phase, whereby Zr atoms occupied preferentially the central position in the close-packed M6X octahedral layers. The same ordering was also observed in 413 stackings present within the 312 phase. The decomposition of the secondary (Zr,Ti)C phase was attributed to the miscibility gap in the ZrC-TiC system. |
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Wos |
000397171100045 |
Publication Date |
2017-03-20 |
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Series Issue |
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Edition |
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ISSN |
0020-1669 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
4.857 |
Times cited |
26 |
Open Access |
OpenAccess |
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Notes |
Fonds Wetenschappelijk Onderzoek, G.0431.10N.F ; Agentschap voor Innovatie door Wetenschap en Technologie, 131081 ; European Atomic Energy Community, 604862 ; SCK-CEN Academy for Nuclear Science and Technology; Hercules Foundation, Project/Award no: AKUL/1319 Project/Award no: ZW09-09 ; |
Approved |
Most recent IF: 4.857 |
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Call Number |
EMAT @ emat @ c:irua:141794 |
Serial |
4491 |
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