| Records |
| Author |
Benetti, G.; Caddeo, C.; Melis, C.; Ferrini, G.; Giannetti, C.; Winckelmans, N.; Bals, S.; J Van Bael, M.; Cavaliere, E.; Gavioli, L.; Banfi, F. |
| Title |
Bottom-Up Mechanical Nanometrology of Granular Ag Nanoparticles Thin Films |
Type |
A1 Journal article |
| Year |
2017 |
Publication |
The journal of physical chemistry: C : nanomaterials and interfaces |
Abbreviated Journal |
J Phys Chem C |
| Volume |
121 |
Issue |
121 |
Pages |
22434-22441 |
| Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
| Abstract |
Ultrathin metal nanoparticles coatings, synthesized by gas-phase deposition, are emerging as go-to materials in a variety of fields ranging from pathogens control, sensing to energy storage. Predicting their morphology and mechanical properties beyond a trial-and-error approach is a crucial issue limiting their exploitation in real-life applications. The morphology and mechanical properties of Ag nanoparticles ultrathin films, synthesized by supersonic cluster beam deposition, are here assessed adopting a bottom-up, multi-technique approach. A virtual film model is proposed merging high resolution scanning transmission electron microscopy, supersonic cluster beam dynamics and molecular dynamics simulations. The model is validated against mechanical nanometrology measurements and is readily extendable to metals other than Ag. The virtual film is shown to be a flexible and reliable predictive tool to access morphology-dependent properties such as mesoscale gas-dynamics and elasticity of ultrathin films synthesized by gas-phase deposition. |
| 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 |
000413131700072 |
Publication Date |
2017-09-11 |
| Series Editor |
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Series Title |
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Abbreviated Series Title |
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| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
1932-7447 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
4.536 |
Times cited |
30 |
Open Access |
OpenAccess |
Notes  |
; All authors thank Prof. Dr. Luciano Colombo for enlightening discussions. C.C. and F.B. acknowledge financial support from the MIUR Futuro in ricerca 2013 Grant in the frame of the ULTRANANO Project (Project No. RBFR13NEA4). F.B., G.F., and C.G. acknowledge support from Universita Cattolica del Sacro Cuore through D.2.2 and D.3.1 grants. F.B. acknowledges financial support from Fondazione E.U.L.O. The authors acknowledge financial support from the European Union through the seventh Framework Program (FP7) under a contract for an Integrated Infrastructure Initiative (Reference No. 312483 ESTEEM2). ; |
Approved |
Most recent IF: 4.536 |
| Call Number |
EMAT @ emat @c:irua:145828UA @ admin @ c:irua:145828 |
Serial |
4706 |
| Permanent link to this record |
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| |
| Author |
Kertik, A.; Wee, L.H.; Pfannmöller, M.; Bals, S.; Martens, J.A.; Vankelecom, I.F.J. |
| Title |
Highly selective gas separation membrane using in situ amorphised metal-organic frameworks |
Type |
A1 Journal article |
| Year |
2017 |
Publication |
Energy & environmental science |
Abbreviated Journal |
Energ Environ Sci |
| Volume |
10 |
Issue |
10 |
Pages |
2342-2351 |
| Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
| Abstract |
Conventional carbon dioxide (CO2) separation in the petrochemical industry via cryogenic distillation is energy intensive and environmentally unfriendly. Alternatively, polymer membrane-based separations are of significant interest owing to low production cost, low-energy consumption and ease of upscaling. However, the implementation of commercial polymeric membranes is limited by their permeability and selectivity trade-off and the insufficient thermal and chemical stability. Herein, a novel type of amorphous mixed matrix membrane (MMM) able to separate CO2/CH4 mixtures with the highest selectivities ever reported for MOF based MMMs is presented. The MMM consists of an amorphised metal-organic framework (MOF) dispersed in an oxidatively cross-linked matrix achieved by fine tuning of the thermal treatment temperature in air up to 350 degrees C which drastically boosts the separation properties of the MMM. Thanks to the protection of the surrounding polymer, full oxidation of this MOF (i.e. ZIF-8) is prevented, and amorphisation of the MOF is realized instead, thus in situ creating a molecular sieve network. In addition, the treatment also improves the filler-polymer adhesion and induces an oxidative cross-linking of the polyimide matrix, resulting in MMMs with increased stability or plasticization resistance at high pressure up to 40 bar, marking a new milestone as new molecular sieve MOF MMMs for challenging natural gas purification applications. A new field for the use of amorphised MOFs and a variety of separation opportunities for such MMMs are thus opened. |
| 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 |
000414774500007 |
Publication Date |
2017-08-09 |
| Series Editor |
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Series Title |
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Abbreviated Series Title |
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| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
1754-5692; 1754-5706 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
29.518 |
Times cited |
122 |
Open Access |
OpenAccess |
| Notes |
; A.K. acknowledges financial support from the Erasmus-Mundus Doctorate in Membrane Engineering (EUDIME) Programme. L.H.W. thanks the FWO-Vlaanderen for a postdoctoral research fellowship (12M1415N). M. P. acknowledges financial support by the FP7 European project SUNFLOWER (FP7 #287594). S. B. acknowledges financial support from European Research Council (ERC Starting Grant # 335078-COLOURATOMS). J. A. M. gratefully acknowledges financial supports from the Flemish Government for long-term Methusalem funding. J. A. M. and I. F. J. V. acknowledge the Belgian Government for IAP-PAI networking. A. K. would also like to thank Frank Mathijs for the mechanical tests, Roy Bernstein for the XPS analysis and Lien Telen and Bart Goderis for the DSC measurements. We thank Verder Scientific Benelux for providing the service of ZIF-8 ball milling. ; ecas_sara |
Approved |
Most recent IF: 29.518 |
| Call Number |
UA @ lucian @ c:irua:147399UA @ admin @ c:irua:147399 |
Serial |
4879 |
| Permanent link to this record |
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| |
| Author |
Barhoum, A.; Van Assche, G.; Rahier, H.; Fleisch, M.; Bals, S.; Delplancked, M.-P.; Leroux, F.; Bahnemann, D. |
| Title |
Sol-gel hot injection synthesis of ZnO nanoparticles into a porous silica matrix and reaction mechanism |
Type |
A1 Journal article |
| Year |
2017 |
Publication |
Materials & design |
Abbreviated Journal |
Mater Design |
| Volume |
119 |
Issue |
119 |
Pages |
270-276 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
Despite the enormous interest in the properties and applications of porous silica matrix, only a few attempts have been reported to deposit metal and metal oxide nanoparticles (NPs) inside the porous silica matrix. We report a simple approach (i.e. sol-gel hot injection) for insitu synthesis of ZnO NPs inside a porous silica matrix. Control of the Zn:Si molar ratio, reaction temperature, pH value, and annealing temperature permits formation of ZnO NPs (<= 10 nm) inside a porous silica particles, without additives or organic solvents. Results revealed that a solid state reaction inside the ZnO/SiO2 nanocomposites occurs with increasing the annealing temperature. The reaction of ZnO NPs with SiO2 matrix was insignificant up to approximately 500 degrees C. However, ZnO NPs react strongly with the silica matrix when the nanocomposites are annealed at temperatures above 700 degrees C. Extensive annealing of the ZnO/SiO2 nanocomposite at 900 degrees C yields 3D structures made of 500 nm rod-like, 5-7 pm tube-like and 35 pm needle-like Zn2SiO4 crystals. A possible mechanism for forming ZnO NPs inside porous silica matrix and phase transformation of the ZnO/SiO2 nanocomposites into 3D architectures of Zn2SiO4 are carefully discussed. (C) 2017 Elsevier Ltd. All rights reserved. |
| 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 |
000397360000030 |
Publication Date |
2017-01-23 |
| 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 |
0264-1275 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
4.364 |
Times cited |
43 |
Open Access |
Not_Open_Access |
| Notes |
; A.B. would like to thank FWO – Research Foundation Flanders (grant no. V450315N) and the Strategic Initiative Materials in Flanders (SBO-project no. 130529 – INSITU) for financial support. TEM and TEM-EDX analyses were performed by Dr. F. Leroux (EMAT, Universiteit Antwerpen). XRD and DSC measurements were performed by T. Segato (4MAT, Universite Libre de Bruxelles). Notes: the authors declare no competing for financial interest. ; |
Approved |
Most recent IF: 4.364 |
| Call Number |
UA @ lucian @ c:irua:142394UA @ admin @ c:irua:142394 |
Serial |
4689 |
| Permanent link to this record |
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| |
| Author |
Neyts, E.C.; Brault, P. |
| Title |
Molecular Dynamics Simulations for Plasma-Surface Interactions: Molecular Dynamics Simulations… |
Type |
A1 Journal article |
| Year |
2017 |
Publication |
Plasma processes and polymers |
Abbreviated Journal |
Plasma Process Polym |
| Volume |
14 |
Issue |
14 |
Pages |
1600145 |
| Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| Abstract |
Plasma-surface interactions are in general highly complex due to the interplay of many concurrent processes. Molecular dynamics simulations provide insight in some of these processes, subject to the accessible time and length scales, and the availability of suitable force fields. In this introductory tutorial-style review, we aim to describe the current capabilities and limitations of molecular dynamics simulations in this field, restricting ourselves to low-temperature nonthermal plasmas. Attention is paid to the simulation of the various fundamental processes occurring, including sputtering, etching, implantation, and deposition, as well as to what extent the basic plasma components can be accounted for, including ground state and excited species, electric fields, ions, photons, and electrons. A number of examples is provided, giving an bird’s eye overview of the current state of the field. |
| 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 |
000393184600009 |
Publication Date |
2016-09-07 |
| Series Editor |
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Series Title |
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Abbreviated Series Title |
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| Series Volume |
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Series Issue |
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Edition |
|
| ISSN |
1612-8850 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
2.846 |
Times cited |
13 |
Open Access |
Not_Open_Access |
| Notes |
|
Approved |
Most recent IF: 2.846 |
| Call Number |
PLASMANT @ plasmant @ c:irua:141758 |
Serial |
4488 |
| Permanent link to this record |
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| |
| Author |
Trenchev, G.; Kolev, S.; Kiss’ovski, Z. |
| Title |
Modeling a Langmuir probe in atmospheric pressure plasma at different EEDFs |
Type |
A1 Journal article |
| Year |
2017 |
Publication |
Plasma sources science and technology |
Abbreviated Journal |
Plasma Sources Sci T |
| Volume |
26 |
Issue |
26 |
Pages |
055013 |
| Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| Abstract |
In this study, we present a computational model of a cylindrical electric probe in atmospheric pressure argon plasma. The plasma properties are varied in terms of density and electron temperature. Furthermore, results for plasmas with Maxwellian and non-Maxwellian electron energy distribution functions are also obtained and compared. The model is based on the fluid description of plasma within the COMSOL software package. The results for the ion saturation current are compared and show good agreement with existing analytical Langmuir probe theories. A strong dependence between the ion saturation current and electron transport properties was observed, and attributed to the effects of ambipolar diffusion. |
| 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 |
000398327900002 |
Publication Date |
2017-04-03 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
1361-6595 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.302 |
Times cited |
4 |
Open Access |
OpenAccess |
| Notes |
|
Approved |
Most recent IF: 3.302 |
| Call Number |
PLASMANT @ plasmant @ c:irua:141914 |
Serial |
4535 |
| Permanent link to this record |
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| |
| Author |
Tennyson, J.; Rahimi, S.; Hill, C.; Tse, L.; Vibhakar, A.; Akello-Egwel, D.; Brown, D.B.; Dzarasova, A.; Hamilton, J.R.; Jaksch, D.; Mohr, S.; Wren-Little, K.; Bruckmeier, J.; Agarwal, A.; Bartschat, K.; Bogaerts, A.; Booth, J.-P.; Goeckner, M.J.; Hassouni, K.; Itikawa, Y.; Braams, B.J.; Krishnakumar, E.; Laricchiuta, A.; Mason, N.J.; Pandey, S.; Petrovic, Z.L.; Pu, Y.-K.; Ranjan, A.; Rauf, S.; Schulze, J.; Turner, M.M.; Ventzek, P.; Whitehead, J.C.; Yoon, J.-S. |
| Title |
QDB: a new database of plasma chemistries and reactions |
Type |
A1 Journal article |
| Year |
2017 |
Publication |
Plasma sources science and technology |
Abbreviated Journal |
Plasma Sources Sci T |
| Volume |
26 |
Issue |
26 |
Pages |
055014 |
| Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| Abstract |
One of the most challenging and recurring problems when modeling plasmas is the lack of data on the key atomic and molecular reactions that drive plasma processes. Even when there are data for some reactions, complete and validated datasets of chemistries are rarely available. This hinders research on plasma processes and curbs development of industrial applications. The QDB project aims to address this problem by providing a platform for provision, exchange, and validation of chemistry datasets. A new data model developed for QDB is presented. QDB collates published data on both electron scattering and heavy-particle reactions. These data are formed into reaction sets, which are then validated against experimental data where possible. This process produces both complete chemistry sets and identifies key reactions that are currently unreported in the literature. Gaps in the datasets can be filled using established theoretical methods. Initial validated chemistry sets for SF6/CF4/O2 and SF6/CF4/N2/H2 are presented as examples. |
| 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 |
000398394500001 |
Publication Date |
2017-04-04 |
| 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 |
1361-6595 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.302 |
Times cited |
18 |
Open Access |
OpenAccess |
| Notes |
|
Approved |
Most recent IF: 3.302 |
| Call Number |
PLASMANT @ plasmant @ c:irua:142206 |
Serial |
4549 |
| Permanent link to this record |
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| Author |
Bogaerts, A.; Alves, L.L. |
| Title |
Special issue on numerical modelling of low-temperature plasmas for various applications – part II: Research papers on numerical modelling for various plasma applications |
Type |
Editorial |
| Year |
2017 |
Publication |
Plasma processes and polymers |
Abbreviated Journal |
Plasma Process Polym |
| Volume |
14 |
Issue |
14 |
Pages |
1790041 |
| Keywords |
Editorial; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| Abstract |
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| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
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Editor |
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| Language |
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Wos |
000403074000001 |
Publication Date |
2017-04-25 |
| 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 |
| Impact Factor |
2.846 |
Times cited |
2 |
Open Access |
Not_Open_Access |
| Notes |
|
Approved |
Most recent IF: 2.846 |
| Call Number |
PLASMANT @ plasmant @ c:irua:142637 |
Serial |
4559 |
| Permanent link to this record |
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| |
| Author |
Nozaki, T.; Bogaerts, A.; Tu, X.; Sanden, R. |
| Title |
Special issue: Plasma Conversion |
Type |
Editorial |
| Year |
2017 |
Publication |
Plasma processes and polymers |
Abbreviated Journal |
Plasma Process Polym |
| Volume |
14 |
Issue |
14 |
Pages |
1790061 |
| Keywords |
Editorial; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| Abstract |
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| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
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Editor |
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| Language |
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Wos |
000403699900015 |
Publication Date |
2017-06-16 |
| 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 |
| Impact Factor |
2.846 |
Times cited |
|
Open Access |
Not_Open_Access |
| Notes |
|
Approved |
Most recent IF: 2.846 |
| Call Number |
PLASMANT @ plasmant @ c:irua:144211 |
Serial |
4578 |
| Permanent link to this record |
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| Author |
Adamovich, I.; Baalrud, S.D.; Bogaerts, A.; Bruggeman, P.J.; Cappelli, M.; Colombo, V.; Czarnetzki, U.; Ebert, U.; Eden, J.G.; Favia, P.; Graves, D.B.; Hamaguchi, S.; Hieftje, G.; Hori, M.; Kaganovich, I.D.; Kortshagen, U.; Kushner, M.J.; Mason, N.J.; Mazouffre, S.; Thagard, S.M.; Metelmann, H.-R.; Mizuno, A.; Moreau, E.; Murphy, A.B.; Niemira, B.A.; Oehrlein, G.S.; Petrovic, Z.L.; Pitchford, L.C.; Pu, Y.-K.; Rauf, S.; Sakai, O.; Samukawa, S.; Starikovskaia, S.; Tennyson, J.; Terashima, K.; Turner, M.M.; van de Sanden, M.C.M.; Vardelle, A. |
| Title |
The 2017 Plasma Roadmap: Low temperature plasma science and technology |
Type |
A1 Journal article |
| Year |
2017 |
Publication |
Journal of physics: D: applied physics |
Abbreviated Journal |
J Phys D Appl Phys |
| Volume |
50 |
Issue |
50 |
Pages |
323001 |
| Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| Abstract |
Journal of Physics D: Applied Physics published the first Plasma Roadmap in 2012
consisting of the individual perspectives of 16 leading experts in the various sub-fields of low temperature plasma science and technology. The 2017 Plasma Roadmap is the first update of a planned series of periodic updates of the Plasma Roadmap. The continuously growing interdisciplinary nature of the low temperature plasma field and its equally broad range of applications are making it increasingly difficult to identify major challenges that encompass all of the many sub-fields and applications. This intellectual diversity is ultimately a strength of the field. The current state of the art for the 19 sub-fields addressed in this roadmap demonstrates the enviable track record of the low temperature plasma field in the development of plasmas as an enabling technology for a vast range of technologies that underpin our modern society. At the same time, the many important scientific and technological challenges shared in this roadmap show that the path forward is not only scientifically rich but has the potential to make wide and far reaching contributions to many societal challenges. |
| 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 |
000405553800001 |
Publication Date |
2017-07-14 |
| 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 |
0022-3727 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
2.588 |
Times cited |
246 |
Open Access |
OpenAccess |
| Notes |
|
Approved |
Most recent IF: 2.588 |
| Call Number |
PLASMANT @ plasmant @ c:irua:144626 |
Serial |
4629 |
| Permanent link to this record |
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| |
| Author |
Alves, L.L.; Bogaerts, A. |
| Title |
Special Issue on Numerical Modelling of Low-Temperature Plasmas for Various Applications – Part I: Review and Tutorial Papers on Numerical Modelling Approaches |
Type |
Editorial |
| Year |
2017 |
Publication |
Plasma processes and polymers |
Abbreviated Journal |
Plasma Process Polym |
| Volume |
14 |
Issue |
14 |
Pages |
1690011 |
| Keywords |
Editorial; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| Abstract |
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| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
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Editor |
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| Language |
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Wos |
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Publication Date |
2017-01-19 |
| 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 |
| Impact Factor |
2.846 |
Times cited |
3 |
Open Access |
Not_Open_Access |
| Notes |
|
Approved |
Most recent IF: 2.846 |
| Call Number |
PLASMANT @ plasmant @ c:irua:141721 |
Serial |
4475 |
| Permanent link to this record |
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| |
| Author |
Gonnissen, J. |
| Title |
Optimal statistical experiment design for detecting and locating light atoms using quantitative high resolution (scanning) transmission electron microscopy |
Type |
Doctoral thesis |
| Year |
2017 |
Publication |
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Abbreviated Journal |
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| Volume |
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Issue |
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Pages |
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| Keywords |
Doctoral thesis; Electron microscopy for materials research (EMAT) |
| Abstract |
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| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
Antwerpen |
Editor |
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| Language |
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Wos |
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Publication Date |
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| Series Editor |
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Series Title |
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Abbreviated Series Title |
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| Series Volume |
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Series Issue |
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Edition |
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| ISSN |
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ISBN |
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Additional Links |
UA library record |
| Impact Factor |
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Times cited |
|
Open Access |
|
| Notes |
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Approved |
Most recent IF: NA |
| Call Number |
UA @ lucian @ c:irua:140612 |
Serial |
4444 |
| Permanent link to this record |
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| |
| Author |
Tit, N.; Al Ezzi, M.M.; Abdullah, H.M.; Yusupov, M.; Kouser, S.; Bahlouli, H.; Yamani, Z.H. |
| Title |
Detection of CO2 using CNT-based sensors: Role of Fe catalyst on sensitivity and selectivity |
Type |
A1 Journal article |
| Year |
2017 |
Publication |
Materials chemistry and physics |
Abbreviated Journal |
Mater Chem Phys |
| Volume |
186 |
Issue |
186 |
Pages |
353-364 |
| Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| Abstract |
The adsorption of CO2 on surfaces of graphene and carbon nanotubes (CNTs), decorated with Fe atoms, are investigated using the self-consistent-charge density-functional tight-binding (SCC-DFTB) method, neglecting the heat effects. Fe ad-atoms are more stable when they are dispersed on hollow sites. They introduce a large density of states at the Fermi level (N-F); where keeping such density low would help in gas sensing. Furthermore, the Fe ad-atom can weaken the C=O double bonds of the chemisorbed CO2 molecule, paving the way for oxygen atoms to drain more charges from Fe. Consequently, chemisorption of CO2 molecules reduces both N-F and the conductance while it enhances the sensitivity with the increasing gas dose. Conducting armchair CNTs (ac-CNTs) have higher sensitivity than graphene and semiconducting zigzag CNTs (zz-CNT5). Comparative study of sensitivity of ac-CNT-Fe composite towards various gases (e.g., O-2, N-2, H-2, H2O, CO and CO2) has shown high sensitivity and selectivity towards CO, CO2 and H2O gases. (C) 2016 Elsevier B.V. All rights reserved. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
Lausanne |
Editor |
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| Language |
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Wos |
000390621200044 |
Publication Date |
2016-11-04 |
| Series Editor |
|
Series Title |
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Abbreviated Series Title |
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| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0254-0584 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
2.084 |
Times cited |
17 |
Open Access |
Not_Open_Access |
| Notes |
|
Approved |
Most recent IF: 2.084 |
| Call Number |
UA @ lucian @ c:irua:140333 |
Serial |
4465 |
| Permanent link to this record |
| |
|
| |
| Author |
Heyne, M.H.; de Marneffe, J.-F.; Delabie, A.; Caymax, M.; Neyts, E.C.; Radu, I.; Huyghebaert, C.; De Gendt, S. |
| Title |
Two-dimensional WS2 nanoribbon deposition by conversion of pre-patterned amorphous silicon |
Type |
A1 Journal article |
| Year |
2017 |
Publication |
Nanotechnology |
Abbreviated Journal |
Nanotechnology |
| Volume |
28 |
Issue |
28 |
Pages |
04LT01 |
| Keywords |
A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| Abstract |
We present a method for area selective deposition of 2D WS2 nanoribbons with tunable thickness on a dielectric substrate. The process is based on a complete conversion of a prepatterned, H-terminated Si layer to metallic W by WF6, followed by in situ sulfidation by H2S. The reaction process, performed at 450 degrees C, yields nanoribbons with lateral dimension down to 20 nm and with random basal plane orientation. The thickness of the nanoribbons is accurately controlled by the thickness of the pre-deposited Si layer. Upon rapid thermal annealing at 900 degrees C under inert gas, the WS2 basal planes align parallel to the substrate. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
Bristol |
Editor |
|
| Language |
|
Wos |
000391445100001 |
Publication Date |
2016-12-15 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0957-4484 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.44 |
Times cited |
13 |
Open Access |
OpenAccess |
| Notes |
|
Approved |
Most recent IF: 3.44 |
| Call Number |
UA @ lucian @ c:irua:140382 |
Serial |
4471 |
| Permanent link to this record |
| |
|
| |
| Author |
Li, L.; Kong, X.; Leenaerts, O.; Chen, X.; Sanyal, B.; Peeters, F.M. |
| Title |
Carbon-rich carbon nitride monolayers with Dirac cones : Dumbbell C4N |
Type |
A1 Journal article |
| Year |
2017 |
Publication |
Carbon |
Abbreviated Journal |
Carbon |
| Volume |
118 |
Issue |
118 |
Pages |
285-290 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
Two-dimensional (2D) carbon nitride materials play an important role in energy-harvesting, energy-storage and environmental applications. Recently, a new carbon nitride, 2D polyaniline (C3N) was proposed [PNAS 113 (2016) 7414-7419]. Based on the structure model of this C3N monolayer, we propose two new carbon nitride monolayers, named dumbbell (DB) C4N-I and C4N-II. Using first-principles calculations, we systematically study the structure, stability, and band structure of these two materials. In contrast to other carbon nitride monolayers, the orbital hybridization of the C/N atoms in the DB C4N monolayers is sp(3). Remarkably, the band structures of the two DB C4N monolayers have a Dirac cone at the K point and their Fermi velocities (2.6/2.4 x 10(5) m/s) are comparable to that of graphene. This makes them promising materials for applications in high-speed electronic devices. Using a tight-binding model, we explain the origin of the Dirac cone. (C) 2017 Elsevier Ltd. All rights reserved. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
Oxford |
Editor |
|
| Language |
|
Wos |
000401120800033 |
Publication Date |
2017-03-16 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0008-6223 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
6.337 |
Times cited |
36 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 6.337 |
| Call Number |
UA @ lucian @ c:irua:143726 |
Serial |
4588 |
| Permanent link to this record |
| |
|
| |
| Author |
Petrovic, M. |
| Title |
Characterization of scanning gate technique and transport in nanostructured graphene |
Type |
Doctoral thesis |
| Year |
2017 |
Publication |
|
Abbreviated Journal |
|
| Volume |
|
Issue |
|
Pages |
|
| Keywords |
Doctoral thesis; Condensed Matter Theory (CMT) |
| Abstract |
|
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
Antwerpen |
Editor |
|
| Language |
|
Wos |
|
Publication Date |
|
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
|
ISBN |
|
Additional Links |
UA library record |
| Impact Factor |
|
Times cited |
|
Open Access |
|
| Notes |
|
Approved |
Most recent IF: NA |
| Call Number |
UA @ lucian @ c:irua:144015 |
Serial |
4590 |
| Permanent link to this record |
| |
|
| |
| Author |
Fernández Becerra, V.; Milošević, M.V. |
| Title |
Dynamics of skyrmions and edge states in the resistive regime of mesoscopic p-wave superconductors |
Type |
A1 Journal article |
| Year |
2017 |
Publication |
Physica: C : superconductivity |
Abbreviated Journal |
Physica C |
| Volume |
533 |
Issue |
533 |
Pages |
91-95 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
In a mesoscopic sample of a chiral p-wave superconductor, novel states comprising skyrmions and edge states have been stabilized in out-of-plane applied magnetic field. Using the time-dependent Ginzburg-Landau equations we shed light on the dynamic response of such states to an external applied current. Three different regimes are obtained, namely, the superconducting (stationary), resistive (non-stationary) and normal regime, similarly to conventional s-wave superconductors. However, in the resistive regime and depending on the external current, we found that moving skyrmions and the edge state behave distinctly different from the conventional kinematic vortex, thereby providing new fingerprints for identification of p-wave superconductivity. (C) 2016 Elsevier B.V. All rights reserved. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
Amsterdam |
Editor |
|
| Language |
|
Wos |
000395954100014 |
Publication Date |
2016-07-07 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0921-4534 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
1.404 |
Times cited |
3 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 1.404 |
| Call Number |
UA @ lucian @ c:irua:142534 |
Serial |
4592 |
| Permanent link to this record |
| |
|
| |
| Author |
Milovanović, S. |
| Title |
Electronic transport properties in nano- and micro-engineered graphene structures |
Type |
Doctoral thesis |
| Year |
2017 |
Publication |
|
Abbreviated Journal |
|
| Volume |
|
Issue |
|
Pages |
|
| Keywords |
Doctoral thesis; Condensed Matter Theory (CMT) |
| Abstract |
|
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
Antwerpen |
Editor |
|
| Language |
|
Wos |
|
Publication Date |
|
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
|
ISBN |
|
Additional Links |
UA library record |
| Impact Factor |
|
Times cited |
|
Open Access |
|
| Notes |
|
Approved |
Most recent IF: NA |
| Call Number |
UA @ lucian @ c:irua:143632 |
Serial |
4595 |
| Permanent link to this record |
| |
|
| |
| Author |
Fernández Becerra, V.L. |
| Title |
Novel mesoscopic effects and topological states in chiral p-wave superconductors |
Type |
Doctoral thesis |
| Year |
2017 |
Publication |
|
Abbreviated Journal |
|
| Volume |
|
Issue |
|
Pages |
|
| Keywords |
Doctoral thesis; Condensed Matter Theory (CMT) |
| Abstract |
|
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
Antwerpen |
Editor |
|
| Language |
|
Wos |
|
Publication Date |
|
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
|
ISBN |
|
Additional Links |
UA library record |
| Impact Factor |
|
Times cited |
|
Open Access |
|
| Notes |
|
Approved |
Most recent IF: NA |
| Call Number |
UA @ lucian @ c:irua:144012 |
Serial |
4601 |
| Permanent link to this record |
| |
|
| |
| Author |
Hoang, D.-Q.; Korneychuk, S.; Sankaran, K.J.; Pobedinskas, P.; Drijkoningen, S.; Turner, S.; Van Bael, M.K.; Verbeeck, J.; Nicley, S.S.; Haenen, K. |
| Title |
Direct nucleation of hexagonal boron nitride on diamond : crystalline properties of hBN nanowalls |
Type |
A1 Journal article |
| Year |
2017 |
Publication |
Acta materialia |
Abbreviated Journal |
Acta Mater |
| Volume |
127 |
Issue |
|
Pages |
17-24 |
| Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
| Abstract |
Hexagonal boron nitride (hBN) nanowalls were deposited by unbalanced radio frequency sputtering on (100)-oriented silicon, nanocrystalline diamond films, and amorphous silicon nitride (Si3N4) membranes. The hBN nanowall structures were found to grow vertically with respect to the surface of all of the substrates. To provide further insight into the nucleation phase and possible lattice distortion of the deposited films, the structural properties of the different interfaces were characterized by transmission electron microscopy. For Si and Si3N4 substrates, turbostratic and amorphous BN phases form a clear transition zone between the substrate and the actual hBN phase of the bulk nanowalls. However, surprisingly, the presence of these phases was suppressed at the interface with a nanocrystalline diamond film, leading to a direct coupling of hBN with the diamond surface, independent of the vertical orientation of the diamond grain. To explain these observations, a growth mechanism is proposed in which the hydrogen terminated surface of the nanocrystalline diamond film leads to a rapid formation of the hBN phase during the initial stages of growth, contrary to the case of Si and Si3N4 substrates. (C) 2017 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
Oxford |
Editor |
|
| Language |
|
Wos |
|
Publication Date |
|
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
1359-6454 |
ISBN |
|
Additional Links |
UA library record; ; WoS full record; WoS citing articles |
| Impact Factor |
5.301 |
Times cited |
|
Open Access |
OpenAccess |
| Notes |
|
Approved |
Most recent IF: 5.301 |
| Call Number |
UA @ lucian @ c:irua:142398 |
Serial |
4645 |
| Permanent link to this record |
| |
|
| |
| Author |
Neyts, E.C.; Bal, K.M. |
| Title |
Effect of electric fields on plasma catalytic hydrocarbon oxidation from atomistic simulations |
Type |
A1 Journal article |
| Year |
2017 |
Publication |
Plasma processes and polymers |
Abbreviated Journal |
Plasma Process Polym |
| Volume |
14 |
Issue |
6 |
Pages |
e1600158 |
| Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| Abstract |
The catalytic oxidative dehydrogenation of hydrocarbons is an industrially important process, in which selectivity is a key issue. We here investigate the conversion of methanol to formaldehyde on a vanadia surface employing long timescale simulations, reaching a time scale of seconds. In particular, we compare the thermal process to the case where an additional external electric field is applied, as would be the case in a direct plasma-catalysis setup. We find that the electric field influences the retention time of the molecules at the catalyst surface. These simulations provide an atomic scale insight in the thermal catalytic oxidative dehydrogenation process, and in how an external electric field may affect this process. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
Weinheim |
Editor |
|
| Language |
|
Wos |
000403699900013 |
Publication Date |
2016-11-08 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
1612-8850 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
2.846 |
Times cited |
2 |
Open Access |
Not_Open_Access |
| Notes |
|
Approved |
Most recent IF: 2.846 |
| Call Number |
UA @ lucian @ c:irua:144210 |
Serial |
4647 |
| Permanent link to this record |
| |
|
| |
| Author |
Bogaerts, A.; Ameye, L.; Bijlholt, M.; Amuli, K.; Heynickx, D.; Devlieger, R. |
| Title |
INTER-ACT : prevention of pregnancy complications through an e-health driven interpregnancy lifestyle intervention: study protocol of a multicentre randomised controlled trial |
Type |
A1 Journal article |
| Year |
2017 |
Publication |
BMC pregnancy and childbirth |
Abbreviated Journal |
Bmc Pregnancy Childb |
| Volume |
17 |
Issue |
|
Pages |
154 |
| Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT); Centre for Research and Innovation in Care (CRIC) |
| Abstract |
Background Excessive maternal pre-pregnancy and gestational weight gain are related to pregnancy- and birth outcomes. The interpregnancy time window offers a unique opportunity to intervene in order to acquire a healthy lifestyle before the start of a new pregnancy. Methods INTER-ACT is an e-health driven multicentre randomised controlled intervention trial targeting women at high risk of pregnancy- and birth related complications. Eligible women are recruited for the study at day 2 or 3 postpartum. At week 6 postpartum, participants are randomised into the intervention or control arm of the study. The intervention focuses on weight, diet, physical activity and mental well-being, and comprises face-to-face coaching, in which behavioural change techniques are central, and use of a mobile application, which is Bluetooth-connected to a weighing scale and activity tracker. The intervention is rolled out postpartum (4 coaching sessions between week 6 and month 6) and in a new pregnancy (3 coaching sessions, one in each trimester of pregnancy); the mobile app is used throughout the two intervention phases. Data collection includes data from the medical record of the participants (pregnancy outcomes and medical history), anthropometric data (height, weight, waist- and hip circumferences, skinfold thickness and body composition by bio-electrical impedance analysis), data from the mobile app (physical activity and weight; intervention group only) and questionnaires (socio-demographics, breastfeeding, food intake, physical activity, lifestyle, psychosocial factors and process evaluation). Medical record data are collected at inclusion and at delivery of the subsequent pregnancy. All other data are collected at week 6 and month 6 postpartum and every subsequent 6 months until a new pregnancy, and in every trimester in the new pregnancy. Primary outcome is the composite endpoint score of pregnancy-induced hypertension, gestational diabetes mellitus, caesarean section, and large-for-gestational-age infant in the subsequent pregnancy. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
London |
Editor |
|
| Language |
|
Wos |
000402116300002 |
Publication Date |
2017-05-26 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
1471-2393 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
2.263 |
Times cited |
4 |
Open Access |
OpenAccess |
| Notes |
|
Approved |
Most recent IF: 2.263 |
| Call Number |
UA @ lucian @ c:irua:143234 |
Serial |
4663 |
| Permanent link to this record |
| |
|
| |
| Author |
Wang, W.; Patil, B.; Heijkers, S.; Hessel, V.; Bogaerts, A. |
| Title |
Nitrogen fixation by gliding arc plasma : better insight by chemical kinetics modelling |
Type |
A1 Journal article |
| Year |
2017 |
Publication |
Chemsuschem |
Abbreviated Journal |
Chemsuschem |
| Volume |
10 |
Issue |
10 |
Pages |
2145-2157 |
| Keywords |
A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| Abstract |
The conversion of atmospheric nitrogen into valuable compounds, that is, so-called nitrogen fixation, is gaining increased interest, owing to the essential role in the nitrogen cycle of the biosphere. Plasma technology, and more specifically gliding arc plasma, has great potential in this area, but little is known about the underlying mechanisms. Therefore, we developed a detailed chemical kinetics model for a pulsed-power gliding-arc reactor operating at atmospheric pressure for nitrogen oxide synthesis. Experiments are performed to validate the model and reasonable agreement is reached between the calculated and measured NO and NO2 yields and the corresponding energy efficiency for NOx formation for different N2/O2 ratios, indicating that the model can provide a realistic picture of the plasma chemistry. Therefore, we can use the model to investigate the reaction pathways for the formation and loss of NOx. The results indicate that vibrational excitation of N2 in the gliding arc contributes significantly to activating the N2 molecules, and leads to an energy efficient way of NOx production, compared to the thermal process. Based on the underlying chemistry, the model allows us to propose solutions on how to further improve the NOx formation by gliding arc technology. Although the energy efficiency of the gliding-arc-based nitrogen fixation process at the present stage is not comparable to the world-scale HaberBosch process, we believe our study helps us to come up with more realistic scenarios of entering a cutting-edge innovation in new business cases for the decentralised production of fertilisers for agriculture, in which low-temperature plasma technology might play an important role. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
Weinheim |
Editor |
|
| Language |
|
Wos |
000402122100006 |
Publication Date |
2017-03-08 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
1864-5631 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
7.226 |
Times cited |
42 |
Open Access |
OpenAccess |
| Notes |
|
Approved |
Most recent IF: 7.226 |
| Call Number |
UA @ lucian @ c:irua:143261 |
Serial |
4672 |
| Permanent link to this record |
| |
|
| |
| Author |
Kong, L.; Wang, W.; Murphy, A.B.; Xia, G. |
| Title |
Numerical analysis of direct-current microdischarge for space propulsion applications using the particle-in-cell/Monte Carlo collision (PIC/MCC) method |
Type |
A1 Journal article |
| Year |
2017 |
Publication |
Journal of physics: D: applied physics |
Abbreviated Journal |
J Phys D Appl Phys |
| Volume |
50 |
Issue |
16 |
Pages |
165203 |
| Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| Abstract |
Microdischarges are an important type of plasma discharge that possess several unique characteristics, such as the presence of a stable glow discharge, high plasma density and intense excimer radiation, leading to several potential applications. The intense and controllable gas heating within the extremely small dimensions of microdischarges has been exploited in microthruster technologies by incorporating a micro-nozzle to generate the thrust. This kind of microthruster has a significantly improved specific impulse performance compared to conventional cold gas thrusters, and can meet the requirements arising from the emerging development and application of micro-spacecraft. In this paper, we performed a self-consistent 2D particle-in-cell simulation, with a Monte Carlo collision model, of a microdischarge operating in a prototype micro-plasma thruster with a hollow cylinder geometry and a divergent micro-nozzle. The model takes into account the thermionic electron emission including the Schottky effect, the secondary electron emission due to cathode bombardment by the plasma ions, several different collision processes, and a non-uniform argon background gas density in the cathode-anode gap. Results in the high-pressure (several hundreds of Torr), high-current (mA) operating regime showing the behavior of the plasma density, potential distribution, and energy flux towards the hollow cathode and anode are presented and discussed. In addition, the results of simulations showing the effect of different argon gas pressures, cathode material work function and discharge voltage on the operation of the microdischarge thruster are presented. Our calculated properties are compared with experimental data under similar conditions and qualitative and quantitative agreements are reached. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
London |
Editor |
|
| Language |
|
Wos |
000398856300001 |
Publication Date |
2017-02-22 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0022-3727 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
2.588 |
Times cited |
8 |
Open Access |
OpenAccess |
| Notes |
|
Approved |
Most recent IF: 2.588 |
| Call Number |
UA @ lucian @ c:irua:143642 |
Serial |
4674 |
| Permanent link to this record |
| |
|
| |
| Author |
Van Laer, K. |
| Title |
Numerical and experimental study of a packed bed plasma reactor for environmental applications |
Type |
Doctoral thesis |
| Year |
2017 |
Publication |
|
Abbreviated Journal |
|
| Volume |
|
Issue |
|
Pages |
|
| Keywords |
Doctoral thesis; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| Abstract |
|
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
Antwerpen |
Editor |
|
| Language |
|
Wos |
|
Publication Date |
|
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
|
ISBN |
|
Additional Links |
UA library record |
| Impact Factor |
|
Times cited |
|
Open Access |
|
| Notes |
|
Approved |
Most recent IF: NA |
| Call Number |
UA @ lucian @ c:irua:144061 |
Serial |
4675 |
| Permanent link to this record |
| |
|
| |
| Author |
de de Meux, A.J.; Pourtois, G.; Genoe, J.; Heremans, P. |
| Title |
Origin of the apparent delocalization of the conduction band in a high-mobility amorphous semiconductor |
Type |
A1 Journal article |
| Year |
2017 |
Publication |
Journal of physics : condensed matter |
Abbreviated Journal |
J Phys-Condens Mat |
| Volume |
29 |
Issue |
25 |
Pages |
255702 |
| Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| Abstract |
In this paper, we show that the apparent delocalization of the conduction band reported from first-principles simulations for the high-mobility amorphous oxide semiconductor InGaZnO4 (a-IGZO) is an artifact induced by the periodic conditions imposed to the model. Given a sufficiently large unit-cell dimension (over 40 angstrom), the conduction band becomes localized. Such a model size is up to four times the size of commonly used models for the study of a-IGZO. This finding challenges the analyses done so far on the nature of the defects and on the interpretation of numerous electrical measurements. In particular, we re-interpret the meaning of the computed effective mass reported so far in literature. Our finding also applies to materials such as SiZnSnO, ZnSnO, InZnSnO, In2O3 or InAlZnO4 whose models have been reported to display a fully delocalized conduction band in the amorphous phase. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
London |
Editor |
|
| Language |
|
Wos |
000402434900002 |
Publication Date |
2017-02-15 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0953-8984 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
2.649 |
Times cited |
5 |
Open Access |
Not_Open_Access |
| Notes |
|
Approved |
Most recent IF: 2.649 |
| Call Number |
UA @ lucian @ c:irua:144183 |
Serial |
4676 |
| Permanent link to this record |
| |
|
| |
| Author |
de de Meux, A.J.; Bhoolokam, A.; Pourtois, G.; Genoe, J.; Heremans, P. |
| Title |
Oxygen vacancies effects in a-IGZO : formation mechanisms, hysteresis, and negative bias stress effects |
Type |
A1 Journal article |
| Year |
2017 |
Publication |
Physica status solidi : A : applications and materials science |
Abbreviated Journal |
Phys Status Solidi A |
| Volume |
214 |
Issue |
6 |
Pages |
1600889 |
| Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| Abstract |
The amorphous oxide semiconductor Indium-Gallium-Zinc-Oxide (a-IGZO) has gained a large technological relevance as a semiconductor for thin-film transistors in active-matrix displays. Yet, major questions remain unanswered regarding the atomic origin of threshold voltage control, doping level, hysteresis, negative bias stress (NBS), and negative bias illumination stress (NBIS). We undertake a systematic study of the effects of oxygen vacancies on the properties of a-IGZO by relating experimental observations to microscopic insights gained from first-principle simulations. It is found that the amorphous nature of the semiconductor allows unusually large atomic relaxations. In some cases, oxygen vacancies are found to behave as perfect shallow donors without the formation of structural defects. Once structural defects are formed, their transition states can vary upon charge and discharge cycles. We associate this phenomenon to a possible presence of hysteresis in the transfer curve of the devices. Under NBS, the creation of oxygen vacancies becomes energetically very stable, hence thermodynamically very likely. This generation process is correlated with the occurrence of the negative bias stress instabilities observed in a-IGZO transistors. While oxygen vacancies can therefore be related to NBS and hysteresis, it appears unlikely from our results that they are direct causes of NBIS, contrary to common belief. |
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Wos |
000403339900012 |
Publication Date |
2017-03-02 |
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Edition |
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| ISSN |
1862-6300 |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
1.775 |
Times cited |
8 |
Open Access |
Not_Open_Access |
| Notes |
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Approved |
Most recent IF: 1.775 |
| Call Number |
UA @ lucian @ c:irua:144219 |
Serial |
4678 |
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| Author |
Snoeckx, R. |
| Title |
Plasma technology : a novel solution for CO2 conversion? |
Type |
Doctoral thesis |
| Year |
2017 |
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| Keywords |
Doctoral thesis; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Place of Publication |
Antwerpen |
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Additional Links |
UA library record |
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Times cited |
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Open Access |
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| Notes |
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Approved |
Most recent IF: NA |
| Call Number |
UA @ lucian @ c:irua:143110 |
Serial |
4680 |
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| Author |
Alania, M. |
| Title |
Quantification of 3D atomic positions for nanoparticles using scanning transmission electron microscopy: statistical parameter estimation, dose-limited precision and optimal experimental design |
Type |
Doctoral thesis |
| Year |
2017 |
Publication |
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Pages |
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Doctoral thesis; Electron microscopy for materials research (EMAT) |
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Place of Publication |
Antwerpen |
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Additional Links |
UA library record |
| Impact Factor |
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Times cited |
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Open Access |
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| Notes |
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Approved |
Most recent IF: NA |
| Call Number |
UA @ lucian @ c:irua:144014 |
Serial |
4682 |
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| Author |
Lu, A.K.A.; Houssa, M.; Radu, I.P.; Pourtois, G. |
| Title |
Toward an understanding of the electric field-induced electrostatic doping in van der Waals heterostructures : a first-principles study |
Type |
A1 Journal article |
| Year |
2017 |
Publication |
ACS applied materials and interfaces |
Abbreviated Journal |
Acs Appl Mater Inter |
| Volume |
9 |
Issue |
8 |
Pages |
7725-7734 |
| Keywords |
A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| Abstract |
Since the discovery of graphene, a broad range of two-dimensional (2D) materials has captured the attention of the scientific communities. Materials, such as hexagonal boron nitride (hBN) and the transition metal dichalcogenides (TMDs) family, have shown promising semiconducting and insulating properties that are very appealing for the semiconductor industry. Recently, the possibility of taking advantage of the properties of 2D-based heterostructures has been investigated for low-power nanoelectronic applications. In this work, we aim at evaluating the relation between the nature of the materials used in such heterostructures and the amplitude of the layer-to-layer charge transfer induced by an external electric field, as is typically present in nanoelectronic gated devices. A broad range of combinations of TMDs, graphene, and hBN has been investigated using density functional theory. Our results show that the electric field induced charge transfer strongly depends on the nature of the 2D materials used in the van der Waals heterostructures and to a lesser extent on the relative orientation of the materials in the structure. Our findings contribute to the building of the fundamental understanding required to engineer electrostatically the doping of 2D materials and to establish the factors that drive the charge transfer mechanisms in electron tunneling-based devices. These are key ingredients for the development of 2D -based nanoelectronic devices. |
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Wos |
000395494200119 |
Publication Date |
2017-02-13 |
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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 |
| Impact Factor |
7.504 |
Times cited |
10 |
Open Access |
Not_Open_Access |
| Notes |
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Approved |
Most recent IF: 7.504 |
| Call Number |
UA @ lucian @ c:irua:142483 |
Serial |
4696 |
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| Author |
Huygh, S. |
| Title |
Towards a fundamental understanding of plasma : TiO2 catalyst interaction for greenhouse gas conversion |
Type |
Doctoral thesis |
| Year |
2017 |
Publication |
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Abbreviated Journal |
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Issue |
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Pages |
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| Keywords |
Doctoral thesis; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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| Publisher |
Universiteit Antwerpen |
Place of Publication |
Antwerpen |
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ISBN |
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Additional Links |
UA library record |
| Impact Factor |
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Times cited |
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Open Access |
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| Notes |
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Approved |
Most recent IF: NA |
| Call Number |
UA @ lucian @ c:irua:143954 |
Serial |
4698 |
| Permanent link to this record |
