Home | << 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 >> |
![]() |
Records | |||||
---|---|---|---|---|---|
Author | Defoirdt, T.; Vlaeminck, S.E.; Sun, X.; Boon, N.; Clauwaert, P. | ||||
Title | Ureolytic activity and its regulation in vibrio campbellii and vibrio harveyi in relation to nitrogen recovery from human urine | Type | A1 Journal article | ||
Year | 2017 | Publication | Environmental science and technology | Abbreviated Journal | |
Volume | 51 | Issue | 22 | Pages | 13335-13343 |
Keywords | A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL) | ||||
Abstract | Human urine contains a high concentration of nitrogen and is therefore an interesting source for nutrient recovery. Ureolysis is a key requirement in many processes aiming at nitrogen recovery from urine. Although ureolytic activity is widespread in terrestrial and aquatic environments, very little is known about the urease activity and regulation in specific bacteria other than human pathogens. Given the relatively high salt concentration of urine, marine bacteria would be particularly well suited for biotechnological applications involving nitrogen recovery from urine, and therefore, in this study, we investigated ureolytic activity and its regulation in marine vibrios. Thirteen out of 14 strains showed ureolytic activity. The urease activity was induced by urea, since complete and very rapid hydrolysis, up to 4 g L-1 of urea, was observed in synthetic human urine when the bacteria were pretreated with 10 g L-1 urea, whereas slow hydrolysis occurred when they were pretreated with 1 g L-1 urea (14-35% hydrolysis after 2 days). There was no correlation between biofilm formation and "motility on one hand, and ureolysis on the other hand, and biofilm and motility inhibitors did not affect ureolysis. Together, our data demonstrate for the first time the potential of marine vibrios as fast urea hydrolyzers for biotechnological applications aiming at nutrient recovery from human urine. | ||||
Address | |||||
Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000416496700032 | Publication Date | 2017-10-30 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0013-936x; 1520-5851 | ISBN ![]() |
Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | Times cited | Open Access | |||
Notes | Approved | no | |||
Call Number | UA @ admin @ c:irua:147703 | Serial | 8716 | ||
Permanent link to this record | |||||
Author | da Costa, D.R.; Chaves, A.; Farias, G.A.; Peeters, F.M. | ||||
Title | Valley filtering in graphene due to substrate-induced mass potential | Type | A1 Journal article | ||
Year | 2017 | Publication | Journal of physics : condensed matter | Abbreviated Journal | |
Volume | 29 | Issue | 21 | Pages | 215502 |
Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
Abstract | The interaction of monolayer graphene with specific substrates may break its sublattice symmetry and results in unidirectional chiral states with opposite group velocities in the different Dirac cones (Zarenia et al 2012 Phys. Rev. B 86 085451). Taking advantage of this feature, we propose a valley filter based on a transversal mass kink for low energy electrons in graphene, which is obtained by assuming a defect region in the substrate that provides a change in the sign of the substrate-induced mass and thus creates a non-biased channel, perpendicular to the kink, for electron motion. By solving the time-dependent Schrodinger equation for the tight-binding Hamiltonian, we investigate the time evolution of a Gaussian wave packet propagating through such a system and obtain the transport properties of this graphene-based substrate-induced quantum point contact. Our results demonstrate that efficient valley filtering can be obtained, provided: (i) the electron energy is sufficiently low, i.e. with electrons belonging mostly to the lowest sub-band of the channel, and (ii) the channel length (width) is sufficiently long (narrow). Moreover, even though the transmission probabilities for each valley are significantly affected by impurities and defects in the channel region, the valley polarization in this system is shown to be robust against their presence. | ||||
Address | |||||
Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000400092700002 | Publication Date | 2017-04-24 | |
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 | Times cited | 15 | Open Access | ||
Notes | Approved | no | |||
Call Number | UA @ admin @ c:irua:152636 | Serial | 8730 | ||
Permanent link to this record | |||||
Author | Han, M.; Seuntjens, D.; Al-Omari, A.; Takacs, I.; Meerburg, F.; Murthy, S.; Vlaeminck, S.E.; De Clippeleir, H. | ||||
Title | Water and process parameters as controllers for the ammonia to nitrite oxidation rate ratio in activated sludge | Type | P3 Proceeding | ||
Year | 2017 | Publication | Abbreviated Journal | ||
Volume | Issue | Pages | 3 p. T2 - IWA 2017 Conference on Sustainable Waste | ||
Keywords | P3 Proceeding; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) | ||||
Abstract | |||||
Address | |||||
Corporate Author | Thesis | ||||
Publisher | Place of Publication | 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 | no | |||
Call Number | UA @ admin @ c:irua:151110 | Serial | 8748 | ||
Permanent link to this record | |||||
Author | de Paepe, J.; Lindeboom, R.E.F.; Vanoppen, M.; Alonso Farinas, B.; Coessens, W.; Abbas, A.; Christiaens, M.; Dotremont, C.; Beckers, H.; Lamaze, B.; Demey, D.; Rabaey, K.; Clauwaert, P.; Verliefde, A.R.D.; Vlaeminck, S.E. | ||||
Title | Water treatment unit breadboard : ground test facility for the recycling of urine and shower water for one astronaut | Type | P3 Proceeding | ||
Year | 2017 | Publication | Abbreviated Journal | ||
Volume | Issue | Pages | 2 p. T2 - 5th IWA Benelux Young Water Professional | ||
Keywords | P3 Proceeding; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) | ||||
Abstract | |||||
Address | |||||
Corporate Author | Thesis | ||||
Publisher | Place of Publication | 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 | no | |||
Call Number | UA @ admin @ c:irua:151114 | Serial | 8749 | ||
Permanent link to this record | |||||
Author | Leenaerts, O.; Partoens, B.; Peeters, F.M.; Volodin, A.; van Haesendonck, C. | ||||
Title | The work function of few-layer graphene | Type | A1 Journal article | ||
Year | 2017 | Publication | Journal of physics : condensed matter | Abbreviated Journal | |
Volume | 29 | Issue | 3 | Pages | 035003 |
Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
Abstract | A theoretical and experimental study of the work function of few-layer graphene is reported. The influence of the number of layers on the work function is investigated in the presence of a substrate, a molecular dipole layer, and combinations of the two. The work function of few-layer graphene is almost independent of the number of layers with only a difference between monolayer and multilayer graphene of about 60 meV. In the presence of a charge-donating substrate the charge distribution is found to decay exponentially away from the substrate and this is directly reflected in the work function of few-layer graphene. A dipole layer changes the work function only when placed in between the substrate and few-layer graphene through a change of the charge transfer between the two. | ||||
Address | |||||
Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000425250600002 | Publication Date | 2016-11-16 | |
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 | Times cited | 61 | Open Access | ||
Notes | Approved | no | |||
Call Number | UA @ admin @ c:irua:164938 | Serial | 8760 | ||
Permanent link to this record | |||||
Author | Stosic, D.; Mulkers, J.; Van Waeyenberge, B.; Ludermir, T.B.; Milošević, M.V. | ||||
Title | Paths to collapse for isolated skyrmions in few-monolayer ferromagnetic films | Type | A1 Journal article | ||
Year | 2017 | Publication | Physical review B | Abbreviated Journal | Phys Rev B |
Volume | 95 | Issue | 21 | Pages | 214418 |
Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
Abstract | Magnetic skyrmions are topological spin configurations in materials with chiral Dzyaloshinskii-Moriya interaction (DMI), that are potentially useful for storing or processing information. To date, DMI has been found in few bulk materials, but can also be induced in atomically thin magnetic films in contact with surfaces with large spin-orbit interactions. Recent experiments have reported that isolated magnetic skyrmions can be stabilized even near room temperature in few-atom-thick magnetic layers sandwiched between materials that provide asymmetric spin-orbit coupling. Here we present the minimum-energy path analysis of three distinct mechanisms for the skyrmion collapse, based on ab initio input and the performed atomic-spin simulations. We focus on the stability of a skyrmion in three atomic layers of Co, either epitaxial on the Pt(111) surface or within a hybrid multilayer where DMI nontrivially varies per monolayer due to competition between different symmetry breaking from two sides of the Co film. In laterally finite systems, their constrained geometry causes poor thermal stability of the skyrmion toward collapse at the boundary, which we show to be resolved by designing the high-DMI structure within an extended film with lower or no DMI. | ||||
Address | |||||
Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000404015500001 | Publication Date | 2017-06-23 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 2469-9950 | ISBN ![]() |
Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 3.836 | Times cited | 48 | Open Access | |
Notes | This work was supported by the Research Foundation, Flanders (FWO-Vlaanderen) and Brazilian agency CNPq (Grants No. 442668/2014-7 and No. 140840/2016-8). | Approved | Most recent IF: 3.836 | ||
Call Number | CMT @ cmt @c:irua:144865 | Serial | 4704 | ||
Permanent link to this record | |||||
Author | Tarasov, A.; Hu, Z.-Y.; Meledina, M.; Trusov, G.; Goodilin, E.; Van Tendeloo, G.; Dobrovolsky, Y. | ||||
Title | One-Step Microheterogeneous Formation of Rutile@Anatase Core–Shell Nanostructured Microspheres Discovered by Precise Phase Mapping | 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 | 4443-4450 |
Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) | ||||
Abstract | Nanostructured core−shell microspheres with a rough rutile core and a thin anatase shell are synthesized via a one-step heterogeneous templated hydrolysis process of TiCl4 vapor on the aerosol water−air interface. The rutile-in-anatase core−shell structure has been evidenced by different electron microscopy techniques, including electron energy-loss spectroscopy and 3D electron tomography. A new mechanism for the formation of a crystalline rutile core inside the anatase shell is proposed based on a statistical evaluation of a large number of electron microscopy data. We found that the control over the TiCl4 vapor pressure, the ratio between TiCl4 and H2O aerosol, and the reaction conditions plays a crucial role in the formation of the core−shell morphology and increases the yield of nanostructured microspheres. | ||||
Address | |||||
Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000395616200038 | Publication Date | 2017-03-02 | |
Series Editor | Series Title | Abbreviated Series Title | |||
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 | 4 | Open Access | OpenAccess |
Notes | Z.-Y.H., M. M., and G.V.T. acknowledge support from the the EC Framework 7 program ESTEEM2 (Reference 312483). | Approved | Most recent IF: 4.536 | ||
Call Number | EMAT @ emat @ c:irua:141720 | Serial | 4472 | ||
Permanent link to this record | |||||
Author | Callewaert, V.; Saniz, R.; Barbiellini, B.; Bansil, A.; Partoens, B. | ||||
Title | Application of the weighted-density approximation to the accurate description of electron-positron correlation effects in materials | Type | A1 Journal article | ||
Year | 2017 | Publication | Physical review B | Abbreviated Journal | Phys Rev B |
Volume | 96 | Issue | 8 | Pages | 085135 |
Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
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. | ||||
Address | |||||
Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000408342600003 | Publication Date | 2017-08-24 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 2469-9950 | ISBN ![]() |
Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 3.836 | Times cited | 6 | Open Access | |
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 | ||
Call Number | CMT @ cmt @c:irua:145703 | Serial | 4703 | ||
Permanent link to this record | |||||
Author | Béché, A.; Juchtmans, R.; Verbeeck, J. | ||||
Title | Efficient creation of electron vortex beams for high resolution STEM imaging | Type | A1 Journal article | ||
Year | 2017 | Publication | Ultramicroscopy | Abbreviated Journal | Ultramicroscopy |
Volume | 178 | Issue | 178 | Pages | 12-19 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
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. | ||||
Address | EMAT, University of Antwerp, Groenenborgerlaan 171, 2020 Antwerp, Belgium | ||||
Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | English | Wos | 000403862900003 | Publication Date | 2016-05-10 |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0304-3991 | ISBN ![]() |
Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 2.843 | Times cited | 30 | Open Access | OpenAccess |
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 | ||
Call Number | c:irua:134085 c:irua:134085UA @ admin @ c:irua:134085 | Serial | 4094 | ||
Permanent link to this record | |||||
Author | Asapu, R.; Claes, N.; Bals, S.; Denys, S.; Detavernier, C.; Lenaerts, S.; Verbruggen, S.W. | ||||
Title | Silver-polymer core-shell nanoparticles for ultrastable plasmon-enhanced photocatalysis | Type | A1 Journal article | ||
Year | 2017 | Publication | Applied catalysis : B : environmental | Abbreviated Journal | Appl Catal B-Environ |
Volume | 200 | Issue | 200 | Pages | 31-38 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT); Sustainable Energy, Air and Water Technology (DuEL) | ||||
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. | ||||
Address | |||||
Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000384775600004 | Publication Date | 2016-06-28 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0926-3373 | ISBN ![]() |
Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 9.446 | Times cited | 45 | Open Access | OpenAccess |
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 | ||
Call Number | c:irua:134384 c:irua:134384UA @ admin @ c:irua:134384 | Serial | 4104 | ||
Permanent link to this record | |||||
Author | Conings, B.; Bretschneider, S.A.; Babayigit, A.; Gauquelin, N.; Cardinaletti, I.; Manca, J.V.; Verbeeck, J.; Snaith, H.J.; Boyen, H.-G. | ||||
Title | Structure-property relations of methylamine vapor treated hybrid perovskite CH3NH3PbI3 films and solar cells | Type | A1 Journal article | ||
Year | 2017 | Publication | ACS applied materials and interfaces | Abbreviated Journal | Acs Appl Mater Inter |
Volume | 9 | Issue | 9 | Pages | 8092-8099 |
Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) | ||||
Abstract | The power conversion efficiency of halide perovskite solar cells is heavily dependent on the perovskite layer being sufficiently smooth and pinhole-free. It has been shown that these features can be obtained even when starting out from rough and discontinuous perovskite film, by briefly exposing it to methylamine (MA) vapor. The exact underlying physical mechanisms of this phenomenon are, however, still unclear. By investigating smooth, MA treated films, based on very rough and discontinuous reference films of methylammonium triiode (MAPbI3), considering their morphology, crystalline features, local conductive properties, and charge carrier lifetime, we unravel the relation between their characteristic physical qualities and their performance in corresponding solar cells. We discover that the extensive improvement in photovoltaic performance upon MA treatment is a consequence of the induced morphological enhancement of the perovskite layer, together with improved electron injection into TiO2, which in fact compensates for an otherwise compromised bulk electronic quality, simultaneously caused by the MA treatment. | ||||
Address | |||||
Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000396186000025 | Publication Date | 2017-02-10 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1944-8244 | ISBN ![]() |
Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 7.504 | Times cited | 43 | Open Access | OpenAccess |
Notes | This work was financially supported by BOF (Hasselt University) and the Research Fund Flanders (FWO). B.C. is a postdoctoral research fellow of the FWO. A.B. is financially supported by FWO and Imec. J.V. and N.G. acknowledge funding from GOA project “Solarpaint” of the University of Antwerp and FWO project G.0044.13N “Charge ordering”. The Qu-Ant-EM microscope used for this study was partly funded by the Hercules fund from the Flemish Government. The authors thank Tim Vangerven for Urbach energy determination, and Johnny Baccus and Jan Mertens for technical support. | Approved | Most recent IF: 7.504 | ||
Call Number | EMAT @ emat @ c:irua:140849 | Serial | 4422 | ||
Permanent link to this record | |||||
Author | Matsubara, M.; Saniz, R.; Partoens, B.; Lamoen, D. | ||||
Title | Doping anatase TiO2with group V-b and VI-b transition metal atoms: a hybrid functional first-principles study | Type | A1 Journal article | ||
Year | 2017 | Publication | Physical chemistry, chemical physics | Abbreviated Journal | Phys Chem Chem Phys |
Volume | 19 | Issue | 19 | Pages | 1945-1952 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT) | ||||
Abstract | We investigate the role of transition metal atoms of group V-b (V, Nb, Ta) and VI-b (Cr, Mo, W) as n- or p-type dopants in anatase TiO$2$ using thermodynamic principles and density functional theory with the Heyd-Scuseria-Ernzerhof HSE06 hybrid functional. The HSE06 functional provides a realistic value for the band gap, which ensures a correct classification of dopants as shallow or deep donors or acceptors. Defect formation energies and thermodynamic transition levels are calculated taking into account the constraints imposed by the stability of TiO$2$ and the solubility limit of the impurities. Nb, Ta, W and Mo are identified as shallow donors. Although W provides two electrons, Nb and Ta show a considerable lower formation energy, in particular under O-poor conditions. Mo donates in principle one electron, but under specific conditions can turn into a double donor. V impurities are deep donors and Cr shows up as an amphoteric defect, thereby acting as an electron trapping center in n-type TiO$_2$ especially under O-rich conditions. A comparison with the available experimental data yields excellent agreement. |
||||
Address | |||||
Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000394426400027 | Publication Date | 2016-12-12 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1463-9076 | ISBN ![]() |
Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 4.123 | Times cited | 19 | Open Access | OpenAccess |
Notes | We gratefully acknowledge financial support from the IWTVlaanderenthrough projects G.0191.08 and G.0150.13, and the BOF-NOI of the University of Antwerp. This work was carried out using the HPC infrastructure of the University of Antwerp (CalcUA), a division of the Flemish Supercomputer Center VSC, which is funded by the Hercules foundation. M. M. acknowledges financial support from the GOA project ‘‘XANES meets ELNES’’ of the University of Antwerp. | Approved | Most recent IF: 4.123 | ||
Call Number | EMAT @ emat @ c:irua:140835 | Serial | 4421 | ||
Permanent link to this record | |||||
Author | Carraro, G.; Maccato, C.; Gasparotto, A.; Warwick, M.E.A.; Sada, C.; Turner, S.; Bazzo, A.; Andreu, T.; Pliekhova, O.; Korte, D.; Lavrenčič Štangar, U.; Van Tendeloo, G.; Morante, J.R.; Barreca, D. | ||||
Title | Hematite-based nanocomposites for light-activated applications: Synergistic role of TiO2 and Au introduction | Type | A1 Journal article | ||
Year | 2017 | Publication | Solar energy materials and solar cells | Abbreviated Journal | Sol Energ Mat Sol C |
Volume | 159 | Issue | 159 | Pages | 456-466 |
Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) | ||||
Abstract | Photo-activated processes have been widely recognized as cost-effective and environmentally friendly routes for both renewable energy generation and purification/cleaning technologies. We report herein on a plasma- assisted approach for the synthesis of Fe 2 O 3 -TiO 2 nanosystems functionalized with Au nanoparticles. Fe 2 O 3 nanostructures were grown by plasma enhanced-chemical vapor deposition, followed by the sequential sputtering of titanium and gold under controlled conditions, and final annealing in air. The target nanosystems were subjected to a thorough multi-technique characterization, in order to elucidate the interrelations between their chemico-physical properties and the processing conditions. Finally, the functional performances were preliminarily investigated in both sunlight-assisted H 2 O splitting and photocatalytic activity tests in view of self- cleaning applications. The obtained results highlight the possibility of tailoring the system behaviour and candidate the present Fe 2 O 3 -TiO 2 -Au nanosystems as possible multi-functional low-cost platforms for light-activated processes. | ||||
Address | |||||
Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000388053600053 | Publication Date | 2016-10-07 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0927-0248 | ISBN ![]() |
Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 4.784 | Times cited | 15 | Open Access | Not_Open_Access |
Notes | The research leading to these results has received funding from the FP7 project “SOLAROGENIX” (NMP4-SL-2012-310333), as well as from Padova University ex-60% 2013-2016 projects, grant no. CPDR132937/13 (SOLLEONE) and the post-doc fellowship ACTION. INFINITY project in the framework of the EU Erasmus Mundus Action 2 is also acknowledged to provide a Ph.D. financial support as well as Slovenian Research Agency (program P2-0377). The authors are grateful to Dr. E. Toniato (Department of Chemistry, Padova University, Italy) for synthetic assistance and to Prof. E. Bontempi and Dr. M. Brisotto (Chemistry for Technologies Laboratory, Brescia University, Italy) for XRD analyses. | Approved | Most recent IF: 4.784 | ||
Call Number | EMAT @ emat @ c:irua:135833 | Serial | 4284 | ||
Permanent link to this record | |||||
Author | Callewaert, V.; Saniz, R.; Barbiellini, B.; Partoens, B. | ||||
Title | Surface states and positron annihilation spectroscopy: results and prospects from a first-principles approach | Type | A1 Journal article | ||
Year | 2017 | Publication | Journal of physics : conference series | Abbreviated Journal | |
Volume | 791 | Issue | 791 | Pages | 012036 |
Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
Abstract | The trapping of positrons at the surface of a material can be exploited to study quite selectively the surface properties of the latter by means of positron annihilation spectroscopy techniques. To support these, it is desirable to be able to theoretically predict the existence of such positronic surface states and to describe their annihilation characteristics with core or valence surface electrons in a reliable way. Here, we build on the well-developed first-principles techniques for the study of positrons in bulk solids as well as on previous models for surfaces, and investigate two schemes that can improve the theoretical description of the interaction of positrons with surfaces. One is based on supplementing the local-density correlation potential with the corrugated image potential at the surface, and the other is based on the weighted-density approximation to correlation. We discuss our results for topological insulators, graphene layers, and quantum dots, with emphasis on the information that can be directly related to experiment. We also discuss some open theoretical problems that should be addressed by future research. | ||||
Address | |||||
Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000400610500036 | Publication Date | 2017-02-22 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1742-6588 | ISBN ![]() |
Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | Times cited | 1 | Open Access | ||
Notes | We acknowledge financial support from FWO-Vlaanderen (projects G.0150.13 and G.0224.14N). This work was carried out using the HPC infrastructure of the University of Antwerp (CalcUA), a division of the Flemish Supercomputer Center (VSC), funded by the Hercules foundation and the Flemish Government (EWI Department). The work at Northeastern University was supported by the US Department of Energy (DOE), Office of Science, Basic Energy Sciences grant number DE-FG02-07ER46352 (core research), and benefited from Northeastern University’s Advanced Scientific Computation Center (ASCC), the NERSC supercomputing center through DOE grant number DE-AC02- 05CH11231, and support (applications to layered materials) from the DOE EFRC: Center for the Computational Design of Functional Layered Materials (CCDM) under DE-SC0012575. | Approved | Most recent IF: NA | ||
Call Number | CMT @ cmt @ c:irua:140847 | Serial | 4425 | ||
Permanent link to this record | |||||
Author | Jany, B.R.; Gauquelin, N.; Willhammar, T.; Nikiel, M.; van den Bos, K.H.W.; Janas, A.; Szajna, K.; Verbeeck, J.; Van Aert, S.; Van Tendeloo, G.; Krok, F. | ||||
Title | Controlled growth of hexagonal gold nanostructures during thermally induced self-assembling on Ge(001) surface | Type | A1 Journal article | ||
Year | 2017 | Publication | Scientific reports | Abbreviated Journal | Sci Rep-Uk |
Volume | 7 | Issue | 7 | Pages | 42420 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract | Nano-sized gold has become an important material in various fields of science and technology, where control over the size and crystallography is desired to tailor the functionality. Gold crystallizes in the face-centered cubic (fcc) phase, and its hexagonal closed packed (hcp) structure is a very unusual and rare phase. Stable Au hcp phase has been reported to form in nanoparticles at the tips of some Ge nanowires. It has also recently been synthesized in the form of thin graphene-supported sheets which are unstable under electron beam irradiation. Here, we show that stable hcp Au 3D nanostructures with well-defined crystallographic orientation and size can be systematically created in a process of thermally induced self-assembly of thin Au layer on Ge(001) monocrystal. The Au hcp crystallite is present in each Au nanostructure and has been characterized by different electron microscopy techniques. We report that a careful heat treatment above the eutectic melting temperature and a controlled cooling is required to form the hcp phase of Au on a Ge single crystal. This new method gives scientific prospects to obtain stable Au hcp phase for future applications in a rather simple manner as well as redefine the phase diagram of Gold with Germanium. | ||||
Address | |||||
Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000393940700001 | Publication Date | 2017-02-14 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 2045-2322 | ISBN ![]() |
Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 4.259 | Times cited | 25 | Open Access | OpenAccess |
Notes | The authors gratefully acknowledge the financial support from the Polish National Science Center, grant no. DEC-2012/07/B/ST5/00906. N.G., G.V.T. and J.V. acknowledge the European Union (EU) Council under the 7th Framework Program (FP7) ERC Starting Grant 278510 VORTEX for support. The Research Foundation Flanders is acknowledged through project fundings (G.0374.13N, G.0368.15N, G.0369.15N) and for a Ph.D. research grant to K.H.W.v.d.B. The microscope was partly funded by the Hercules Fund from the Flemish Government. T.W. acknowledges the Swedish Research Council for an international postdoc grant. The research leading to these results has received funding from the European Union Seventh Framework Programme under Grant Agreement 312483–ESTEEM2 (Integrated Infrastructure Initiative–I3). Part of the research was carried out with equipment purchased with financial support from the European Regional Development Fund in the framework of the Polish Innovation Economy Operational Program (Contract No. POIG.02.01.00-12-023/08). | Approved | Most recent IF: 4.259 | ||
Call Number | EMAT @ emat @ c:irua:140846UA @ admin @ c:irua:140846 | Serial | 4423 | ||
Permanent link to this record | |||||
Author | Van der Paal, J.; Verheyen, C.; Neyts, E.C.; Bogaerts, A. | ||||
Title | Hampering Effect of Cholesterol on the Permeation of Reactive Oxygen Species through Phospholipids Bilayer: Possible Explanation for Plasma Cancer Selectivity | Type | A1 Journal article | ||
Year | 2017 | Publication | Scientific reports | Abbreviated Journal | Sci Rep-Uk |
Volume | 7 | Issue | 7 | Pages | 39526 |
Keywords | A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract | In recent years, the ability of cold atmospheric pressure plasmas (CAPS) to selectively induce cell death in cancer cells has been widely established. This selectivity has been assigned to the reactive oxygen and nitrogen species (RONS) created in CAPs. To provide new insights in the search for an explanation for the observed selectivity, we calculate the transfer free energy of multiple ROS across membranes containing a varying amount of cholesterol. The cholesterol fraction is investigated as a selectivity parameter because membranes of cancer cells are known to contain lower fractions of cholesterol compared to healthy cells. We find that cholesterol has a significant effect on the permeation of reactive species across a membrane. Indeed, depending on the specific reactive species, an increasing cholesterol fraction can lead to (i) an increase of the transfer free energy barrier height and width, (ii) the formation of a local free energy minimum in the center of the membrane and (iii) the creation of extra free energy barriers due to the bulky sterol rings. In the context of plasma oncology, these observations suggest that the increased ingress of RONS in cancer cells can be explained by the decreased cholesterol fraction of their cell membrane. |
||||
Address | |||||
Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000391306900001 | Publication Date | 2017-01-06 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 2045-2322 | ISBN ![]() |
Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 4.259 | Times cited | 27 | Open Access | OpenAccess |
Notes | The authors acknowledge financial support from the Fund for Scientific Research (FWO) Flanders, grant number 11U5416N. The calculations were performed in part using the Turing HPC infrastructure of 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: 4.259 | ||
Call Number | PLASMANT @ plasmant @ c:irua:139512 | Serial | 4340 | ||
Permanent link to this record | |||||
Author | van der Rest, A.; Idrissi, H.; Henry, F.; Favache, A.; Schryvers, D.; Proost, J.; Raskin, J.-P.; Van Overmeere, Q.; Pardoen, T. | ||||
Title | Mechanical behavior of ultrathin sputter deposited porous amorphous Al2O3 films | Type | A1 Journal article | ||
Year | 2017 | Publication | Acta materialia | Abbreviated Journal | Acta Mater |
Volume | 125 | Issue | 125 | Pages | 27-37 |
Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) | ||||
Abstract | The determination of the mechanical properties of porous amorphous Al2O3 thin films is essential to address reliability issues in wear-resistant, optical and electronic coating applications. Testing the mechanical properties of Al2O3 films thinner than 200 nm is challenging, and the link between the mechanical behavior and the microstructure of such films is largely unknown. Herein, we report on the elastic and viscoplastic mechanical properties of amorphous Al2O3 thin films synthesized by reactive magnetron sputtering using a combination of internal stress, nanoindentation, and on-chip uniaxial tensile testing, together with mechanical homogenization models to separate the effect of porosity from intrinsic variations of the response of the sound material. The porosity is made of voids with 2e30 nm diameter. The Young's modulus and hardness of the films decrease by a factor of two when the deposition pressure increases from 1.2 to 8 mTorr. The contribution of porosity was found to be small, and a change in the atomic structure of the amorphous Al2O3 matrix is hypothesized to be the main contributing factor. The activation volume associated to the viscoplastic deformation mechanism is around 100 Å3. Differences in the atomic structure of the films could not be revealed by electron diffraction, pointing to a minute effect of atomic arrangement on the elastic properties. | ||||
Address | |||||
Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000394201500003 | Publication Date | 2016-12-02 | |
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 | 5 | Open Access | OpenAccess |
Notes | This work has been funded by the Belgian Science Policy through the IAP 7/21 project. The support of the ‘Fonds Belge pour la Recherche dans l’Industrie et l’Agriculture (FRIA)’ for A.v.d.R. is also gratefully acknowledged, as well as the support of FNRS through the grant PDR T.0122.13 “Mecano”. | Approved | Most recent IF: 5.301 | ||
Call Number | EMAT @ emat @ c:irua:138990 | Serial | 4330 | ||
Permanent link to this record | |||||
Author | Sun, S.R.; Wang, H.X.; Mei, D.H.; Tu, X.; Bogaerts, A. | ||||
Title | CO2 conversion in a gliding arc plasma: Performance improvement based on chemical reaction modeling | Type | A1 Journal article | ||
Year | 2017 | Publication | Journal of CO2 utilization | Abbreviated Journal | J Co2 Util |
Volume | 17 | Issue | 17 | Pages | 220-234 |
Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract | CO2 conversion into value-added chemicals is gaining increasing interest in recent years, and a gliding arc plasma has great potential for this purpose, because of its high energy efficiency. In this study, a chemical reaction kinetics model is presented to study the CO2 splitting in a gliding arc discharge. The calculated conversion and energy efficiency are in good agreement with experimental data in a range of different operating conditions. Therefore, this reaction kinetics model can be used to elucidate the dominant chemical reactions contributing to CO2 destruction and formation. Based on this reaction pathway analysis, the restricting factors for CO2 conversion are figured out, i.e., the reverse reactions and the small treated gas fraction. This allows us to propose some solutions in order to improve the CO2 conversion, such as decreasing the gas temperature, by using a high frequency discharge, or increasing the power density, by using a micro-scale gliding arc reactor, or by removing the reverse reactions, which could be realized in practice by adding possible scavengers for O atoms, such as CH4. Finally, we compare our results with other types of plasmas in terms of conversion and energy efficiency, and the results illustrate that gliding arc discharges are indeed quite promising for CO2 conversion, certainly when keeping in mind the possible solutions for further performance improvement. |
||||
Address | |||||
Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000393928500023 | Publication Date | 2016-12-28 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 2212-9820 | ISBN ![]() |
Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 4.292 | Times cited | 41 | Open Access | Not_Open_Access |
Notes | 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) and the Fund for Scientific Research Flanders (FWO; Grant no. G.0383.16N). 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. This work is also supported by National Natural Science Foundation of China (grant nos. 11275021, 11575019). S R Sun thanks the financial support from the China Scholarship Council (CSC). | Approved | Most recent IF: 4.292 | ||
Call Number | PLASMANT @ plasmant @ c:irua:138986 | Serial | 4332 | ||
Permanent link to this record | |||||
Author | Snoeckx, R.; Ozkan, A.; Reniers, F.; Bogaerts, A. | ||||
Title | The Quest for Value-Added Products from Carbon Dioxide and Water in a Dielectric Barrier Discharge: A Chemical Kinetics Study | Type | A1 Journal article | ||
Year | 2017 | Publication | Chemsuschem | Abbreviated Journal | Chemsuschem |
Volume | 10 | Issue | 10 | Pages | 409-424 |
Keywords | A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract | Recycling of carbon dioxide by its conversion into value-added products has gained significant interest owing to the role it can play for use in an anthropogenic carbon cycle. The combined conversion with H2O could even mimic the natural photosynthesis process. An interesting gas conversion technique currently being considered in the field of CO2 conversion is plasma technology. To investigate whether it is also promising for this combined conversion, we performed a series of experiments and developed a chemical kinetics plasma chemistry model for a deeper understanding of the process. The main products formed were the syngas components CO and H2, as well as O2 and H2O2, whereas methanol formation was only observed in the parts-per-billion to parts-per-million range. The syngas ratio, on the other hand, could easily be controlled by varying both the water content and/or energy input. On the basis of the model, which was validated with experimental results, a chemical kinetics analysis was performed, which allowed the construction and investigation of the different pathways leading to the observed experimental results and which helped to clarify these results. This approach allowed us to evaluate this technology on the basis of its underlying chemistry and to propose solutions on how to further improve the formation of value-added products by using plasma technology. | ||||
Address | |||||
Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000394571900012 | Publication Date | 2016-11-25 | |
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 | 25 | Open Access | OpenAccess |
Notes | The authors acknowledge financial support from the Inter-university Attraction Pole (IAP; grant number IAP-VII/12, P7/34) program “PSI-Physical Chemistry of Plasma-Surface Interactions”, financially supported by the Belgian Federal Office for Science Policy (BELSPO), as well as the Fund for Scientific Research Flanders (FWO; grant number G.0066.12N). This work was performed in part 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 University of Antwerp. We also would like to thank the financial support given by “Fonds David et Alice Van Buuren”. Finally, we are very grateful to M. Kushner for providing the Global kin code, to T. Dufour for his support during the experiments, and to R. Aerts for his support during the model development. | Approved | Most recent IF: 7.226 | ||
Call Number | PLASMANT @ plasmant @ c:irua:139880 | Serial | 4412 | ||
Permanent link to this record | |||||
Author | Sun, S.R.; Kolev, S.; Wang, H.X.; Bogaerts, A. | ||||
Title | Coupled gas flow-plasma model for a gliding arc: investigations of the back-breakdown phenomenon and its effect on the gliding arc characteristics | Type | A1 Journal article | ||
Year | 2017 | Publication | Plasma sources science and technology | Abbreviated Journal | Plasma Sources Sci T |
Volume | 26 | Issue | 26 | Pages | 015003 |
Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract | We present a 3D and 2D Cartesian quasi-neutral plasma model for a low current argon gliding arc discharge, including strong interactions between the gas flow and arc plasma column. The 3D model is applied only for a short time of 0.2 ms due to its huge computational cost. It mainly serves to verify the reliability of the 2D model. As the results in 2D compare well with those in 3D, they can be used for a better understanding of the gliding arc basic characteristics. More specifically, we investigate the back-breakdown phenomenon induced by an artificially controlled plasma channel, and we discuss its effect on the gliding arc characteristics. The back-breakdown phenomenon, or backward-jump motion of the arc, as observed in the experiments, results in a drop of the gas temperature, as well as in a delay of the arc velocity with respect to the gas flow velocity, allowing more gas to pass through the arc, and thus increasing the efficiency of the gliding arc for gas treatment applications. |
||||
Address | |||||
Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000419253000001 | Publication Date | 2016-11-22 | |
Series Editor | Series Title | Abbreviated Series Title | |||
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 | 9 | Open Access | OpenAccess |
Notes | This work is financially supported by the Methusalem financing, by the Fund for Scientific Research Flanders (FWO) and by the IAP/7 (Inter-university Attraction Pole) program ‘Physical Chemistry of Plasma-Surface Interactions’ from the Belgian Federal Office for Science Policy (BELSPO). The work was carried out in part using the Turing HPC infrastructure of 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. This work was also supported by the National Natural Science Foundation of China (Grant Nos. 11275021, 11575019). S R Sun thanks the financial support from the China Scholarship Council. | Approved | Most recent IF: 3.302 | ||
Call Number | PLASMANT @ plasmant @ c:irua:138993 | Serial | 4337 | ||
Permanent link to this record | |||||
Author | Samaeeaghmiyoni, V.; Idrissi, H.; Groten, J.; Schwaiger, R.; Schryvers, D. | ||||
Title | Quantitative in-situ TEM nanotensile testing of single crystal Ni facilitated by a new sample preparation approach | Type | A1 Journal article | ||
Year | 2017 | Publication | Micron | Abbreviated Journal | Micron |
Volume | 94 | Issue | 94 | Pages | 66-73 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract | Twin-jet electro-polishing and Focused Ion Beam (FIB) were combined to produce small size Nickel single crystal specimens for quantitative in-situ nanotensile experiments in the transmission electron microscope. The combination of these techniques allows producing samples with nearly defect-free zones in the centre in contrast to conventional FIB-prepared samples. Since TEM investigations can be performed on the electro-polished samples prior to in-situ TEM straining, specimens with desired crystallographic orientation and initial microstructure can be prepared. The present results reveal a dislocation nucleation controlled plasticity, in which small loops induced by FIB near the edges of the samples play a central role. | ||||
Address | |||||
Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000393247300008 | Publication Date | 2016-12-21 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0968-4328 | ISBN ![]() |
Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 1.98 | Times cited | 11 | Open Access | OpenAccess |
Notes | This research has been performed with the financial support of the Belgian Science Policy (Belspo) under the framework of the interuniversity attraction poles program, IAP7/21. Financial support from the Flemish (FWO) and German Research Foundation (DFG) through the European M-ERA.NET project “FaSS” (Fatigue Simulation near Surfaces) under the grant numbers GA.014.13N and SCHW855/5-1, respectively, is gratefully acknowledged. V. Samaeeaghmiyoni also acknowledges the FWO research project G012012N “Understanding nanocrystalline mechanical behaviour from structural investigations”. H. Idrissi is currently mandated by the Belgian National Fund for Scientific Research (FSR-FNRS). | Approved | Most recent IF: 1.98 | ||
Call Number | EMAT @ emat @ c:irua:139515 | Serial | 4341 | ||
Permanent link to this record | |||||
Author | Garzia Trulli, M.; Claes, N.; Pype, J.; Bals, S.; Baert, K.; Terryn, H.; Sardella, E.; Favia, P.; Vanhulsel, A. | ||||
Title | Deposition of aminosilane coatings on porous Al2O3microspheres by means of dielectric barrier discharges | Type | A1 Journal article | ||
Year | 2017 | Publication | Plasma processes and polymers | Abbreviated Journal | Plasma Process Polym |
Volume | 14 | Issue | 14 | Pages | 1600211 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT); Laboratory of adsorption and catalysis (LADCA) | ||||
Abstract | Advances in the synthesis of porous microspheres and in their functionalization are increasing the interest in applications of alumina. This paper deals with coatings plasma deposited from 3-aminopropyltriethoxysilane by means of dielectric barrier discharges on alumina porous microspheres, shaped by a vibrational droplet coagulation technique. Aims of the work are the functionalization of the particles with active amino groups, as well as the evaluation of their surface coverage and of the penetration of the coatings into their pores. A multi-diagnostic approach was used for the chemical/morphological characterization of the particles. It was found that 5 min exposure to plasma discharges promotes the deposition of homogeneous coatings onto the microspheres and within their pores, down to 1 μm. | ||||
Address | |||||
Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000410773200003 | Publication Date | 2017-01-05 | |
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 | 8 | Open Access | OpenAccess |
Notes | The technical assistance of the VITO staff (Materials Dpt.) is gratefully acknowledged, especially D. Havermans, E. Van Hoof, R. Kemps (SEM-EDX), and A. De Wilde (Hg Porosimetry). Drs. S. Mullens and G. Scheltjens are kindly acknowledged for constructive discussions. Strategic Initiative Materials in Flanders (SIM) is gratefully acknowledged for its financial support. This research was carried out in the framework of the SIM-TRAP program (Tools for rational processing of nano-particles: controlling and tailoring nanoparticle based or nanomodified particle based materials). N. Claes and S. Bals acknowledge financial support from European Research Council (ERC Starting Grant #335078-COLOURATOM). (ROMEO:white; preprint:; postprint:restricted ; pdfversion:cannot); saraecas; ECAS_Sara; | Approved | Most recent IF: 2.846 | ||
Call Number | EMAT @ emat @ c:irua:139511UA @ admin @ c:irua:139511 | Serial | 4342 | ||
Permanent link to this record | |||||
Author | Shirazi, M.; Neyts, E.C.; Bogaerts, A. | ||||
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 |
Volume | 205 | Issue | 205 | Pages | 605-614 |
Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
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. | ||||
Address | |||||
Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000393931000063 | Publication Date | 2017-01-05 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0926-3373 | ISBN ![]() |
Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 9.446 | Times cited | 26 | Open Access | OpenAccess |
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 | ||
Call Number | PLASMANT @ plasmant @ c:irua:139514 | Serial | 4343 | ||
Permanent link to this record | |||||
Author | Eijt, S.W.H.; Shi, W.; Mannheim, A.; Butterling, M.; Schut, H.; Egger, W.; Dickmann, M.; Hugenschmidt, C.; Shakeri, B.; Meulenberg, R.W.; Callewaert, V.; Saniz, R.; Partoens, B.; Barbiellini, B.; Bansil, A.; Melskens, J.; Zeman, M.; Smets, A.H.M.; Kulbak, M.; Hodes, G.; Cahen, D.; Brück, E. | ||||
Title | New insights into the nanostructure of innovative thin film solar cells gained by positron annihilation spectroscopy | Type | A1 Journal article | ||
Year | 2017 | Publication | Journal of physics : conference series | Abbreviated Journal | |
Volume | 791 | Issue | 791 | Pages | 012021 |
Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
Abstract | Recent studies showed that positron annihilation methods can provide key insights into the nanostructure and electronic structure of thin film solar cells. In this study, positron annihilation lifetime spectroscopy (PALS) is applied to investigate CdSe quantum dot (QD) light absorbing layers, providing evidence of positron trapping at the surfaces of the QDs. This enables one to monitor their surface composition and electronic structure. Further, 2D-Angular Correlation of Annihilation Radiation (2D-ACAR) is used to investigate the nanostructure of divacancies in photovoltaic-high-quality a-Si:H films. The collected momentum distributions were converted by Fourier transformation to the direct space representation of the electron-positron autocorrelation function. The evolution of the size of the divacancies as a function of hydrogen dilution during deposition of a-Si:H thin films was examined. Finally, we present a first positron Doppler Broadening of Annihilation Radiation (DBAR) study of the emerging class of highly efficient thin film solar cells based on perovskites. | ||||
Address | |||||
Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000400610500021 | Publication Date | 2017-02-22 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1742-6588 | ISBN ![]() |
Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | Times cited | 1 | Open Access | ||
Notes | The work at Delft University of Technology was supported by the China Scholarship Council (CSC) grant of W.S., by ADEM, A green Deal in Energy Materials of the Ministry of Economic Affairs of The Netherlands (www.adem- innovationlab.nl), and the STW Vidi grant of A.S., Grant No. 10782. The PALS study is based upon experiments performed at the PLEPS instrument of the NEPOMUC facility at the Heinz Maier-Leibnitz Zentrum (MLZ), Garching, Germany, and was supported by the European Commission under the 7 th Framework Programme, Key Action: Strengthening the European Research Area, Research Infrastructures, Contract No. 226507, NMI3. The work at University of Maine was supported by the National Science Foundation under Grant No. DMR-1206940. Research at the University of Antwerp was supported by FWO grants G022414N and G015013. The work at Northeastern University was supported by the US Department of Energy (DOE), Office of Science, Basic Energy Sciences grant number DE-FG02-07ER46352 (core research), and benefited from Northeastern University's Advanced Scientific Computation Center (ASCC), the NERSC supercomputing center through DOE grant number DE-AC02-05CH11231, and support (applications to layered materials) from the DOE EFRC: Center for the Computational Design of Functional Layered Materials (CCDM) under DE-SC0012575. The work at the Weizmann Institute was supported by the Sidney E. Frank Foundation through the Israel Science Foundation, by the Israel Ministry of Science, and the Israel National Nano-Initiative. D.C. holds the Sylvia and Rowland Schaefer Chair in Energy Research. | Approved | Most recent IF: NA | ||
Call Number | CMT @ cmt @ c:irua:140850 | Serial | 4426 | ||
Permanent link to this record | |||||
Author | Yusupov, M.; Van der Paal, J.; Neyts, E.C.; Bogaerts, A. | ||||
Title | Synergistic effect of electric field and lipid oxidation on the permeability of cell membranes | Type | A1 Journal article | ||
Year | 2017 | Publication | Biochimica et biophysica acta : G : general subjects | Abbreviated Journal | Bba-Gen Subjects |
Volume | 1861 | Issue | 1861 | Pages | 839-847 |
Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract | Background: Strong electric fields are knownto affect cell membrane permeability,which can be applied for therapeutic purposes, e.g., in cancer therapy. A synergistic enhancement of this effect may be accomplished by the presence of reactive oxygen species (ROS), as generated in cold atmospheric plasmas. Little is known about the synergy between lipid oxidation by ROS and the electric field, nor on howthis affects the cell membrane permeability. Method: We here conduct molecular dynamics simulations to elucidate the dynamics of the permeation process under the influence of combined lipid oxidation and electroporation. A phospholipid bilayer (PLB), consisting of di-oleoyl-phosphatidylcholine molecules covered with water layers, is used as a model system for the plasma membrane. Results and conclusions:Weshow howoxidation of the lipids in the PLB leads to an increase of the permeability of the bilayer to ROS, although the permeation free energy barriers still remain relatively high. More importantly, oxidation of the lipids results in a drop of the electric field threshold needed for pore formation (i.e., electroporation) in the PLB. The created pores in the membrane facilitate the penetration of reactive plasma species deep into the cell interior, eventually causing oxidative damage. General significance: This study is of particular interest for plasma medicine, as plasma generates both ROS and electric fields, but it is also of more general interest for applications where strong electric fields and ROS both come into play. |
||||
Address | |||||
Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000397366200012 | Publication Date | 2017-01-27 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0304-4165 | ISBN ![]() |
Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 4.702 | Times cited | Open Access | OpenAccess | |
Notes | This work is financially supported by the Fund for Scientific Research Flanders (FWO; grant numbers: 1200216N and 11U5416N). The work was carried out using the Turing HPC infrastructure of the CalcUA core facility of the Universiteit Antwerpen, a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flem | Approved | Most recent IF: 4.702 | ||
Call Number | PLASMANT @ plasmant @ c:irua:140095 | Serial | 4413 | ||
Permanent link to this record | |||||
Author | Ozkan, A.; Bogaerts, A.; Reniers, F. | ||||
Title | Routes to increase the conversion and the energy efficiency in the splitting of CO2by a dielectric barrier discharge | 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 | 084004 |
Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract | Here, we present routes to increase CO2 conversion into CO using an atmospheric pressure dielectric-barrier discharge. The change in conversion as a function of simple plasma parameters, such as power, flow rate, but also frequency, on-and-off power pulse, thickness and the chemical nature of the dielectric, wall and gas temperature, are described. By means of an in-depth electrical characterization of the discharge (effective plasma voltage, dielectric voltage, plasma current, number and lifetime of the microdischarges), combined with infrared analysis of the walls of the reactor, optical emission spectroscopy for the gas temperature, and mass spectrometry for the CO2 conversion, we propose a global interpretation of the effect of all the experimental parameters on the conversion and efficiency of the reaction. | ||||
Address | |||||
Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000395400700001 | Publication Date | 2017-01-30 | |
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 | 28 | Open Access | OpenAccess |
Notes | The authors acknowledge financial support from the IAPVII/ 12, P7/34 (Interuniversity Attraction Pole) program PSIPhysical Chemistry of Plasma–Surface Interaction financially supported by the Belgian Federal Office for Science Policy (BELSPO). A Ozkan would like to thank the financial support given by the Fonds David et Alice Van Buuren. | Approved | Most recent IF: 2.588 | ||
Call Number | PLASMANT @ plasmant @ c:irua:140093 | Serial | 4415 | ||
Permanent link to this record | |||||
Author | Bogaerts, A.; Aghaei, M. | ||||
Title | Inductively coupled plasma-mass spectrometry: insights through computer modeling | Type | A1 Journal article | ||
Year | 2017 | Publication | Journal of analytical atomic spectrometry | Abbreviated Journal | J Anal Atom Spectrom |
Volume | 32 | Issue | 32 | Pages | 233-261 |
Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract | In this tutorial review paper, we illustrate how computer modeling can contribute to a better insight in inductively coupled plasma-mass spectrometry (ICP-MS). We start with a brief overview on previous efforts, studying the fundamentals of the ICP and ICP-MS, with main focus on previous modeling activities. Subsequently, we explain in detail the model that we developed in previous years, and we show typical calculation results, illustrating the plasma characteristics, gas flow patterns and the sample transport, evaporation and ionization. We also present the effect of various experimental parameters, such as operating conditions, geometrical aspects and sample characteristics, to illustrate how modeling can help to elucidate the optimal conditions for improved analytical performance. | ||||
Address | |||||
Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000395529800002 | Publication Date | 2016-12-07 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0267-9477 | ISBN ![]() |
Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 3.379 | Times cited | 14 | Open Access | OpenAccess |
Notes | The authors are very grateful to H. Lindner for the initial model development and for the many interesting discussions. They also gratefully acknowledge nancial support from the Fonds voor Wetenschappelijk Onderzoek (FWO; Grant number 6713). 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: 3.379 | ||
Call Number | PLASMANT @ plasmant @ c:irua:140074 | Serial | 4416 | ||
Permanent link to this record | |||||
Author | Lu, J.; Bartholomeeusen, E.; Sels, B.F.; Schryvers, D. | ||||
Title | Internal architecture of coffin-shaped ZSM-5 zeolite crystals with hourglass contrast unravelled by focused ion beam-assisted transmission electron microscopy: INTERNAL ARCHITECTURE OF COFFIN-SHAPED | Type | A1 Journal article | ||
Year | 2017 | Publication | Journal of microscopy | Abbreviated Journal | J Microsc-Oxford |
Volume | 265 | Issue | 265 | Pages | 27-33 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract | Optical microscopy, focused ion beam and transmission electron microscopy are combined to study the internal architecture in a coffin-shaped ZSM-5 crystal showing an hourglass contrast in optical microscopy. Based on parallel lamellas from different positions in the crystal, the orientation relationships between the intergrowth components of the crystal are studied and the internal architecture and growth mechanism are illustrated. The crystal is found to contain two pyramid-like components aside from a central component. Both pyramid-like components are rotated by 90 degrees along the common c-axis and with respect to the central component while the interfaces between the components show local zig-zag feature, the latter indicating variations in relative growth velocity of the two components. The pyramid-like intergrowth components are larger and come closer to one another in the middle of the crystal than at the edges, but they do not connect. A model of multisite nucleation and growth of 90 degrees intergrowth components is proposed. | ||||
Address | |||||
Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000392487400004 | Publication Date | 2016-08-19 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0022-2720 | ISBN ![]() |
Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 1.692 | Times cited | 4 | Open Access | OpenAccess |
Notes | Fonds Wetenschappelijk Onderzoek, G.0603.10N ; | Approved | Most recent IF: 1.692 | ||
Call Number | EMAT @ emat @ c:irua:141015 | Serial | 4437 | ||
Permanent link to this record | |||||
Author | Verlackt, C.C.W.; Neyts, E.C.; Bogaerts, A. | ||||
Title | Atomic scale behavior of oxygen-based radicals in water | 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 | 11LT01 |
Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract | Cold atmospheric pressure plasmas in and in contact with liquids represent a growing field of research for various applications. Understanding the interactions between the plasma generated species and the liquid is crucial. In this work we perform molecular dynamics (MD) simulations based on a quantum mechanical method, i.e. density-functional based tight-binding (DFTB), to examine the interactions of OH radicals and O atoms in bulk water. Our calculations reveal that the transport of OH radicals through water is not only governed by diffusion, but also by an equilibrium reaction of H-abstraction with water molecules. Furthermore, when two OH radicals encounter each other, they either form a stable cluster, or react, resulting in the formation of a new water molecule and an O atom. In addition, the O atoms form either oxywater (when in singlet configuration) or they remain stable in solution (when in triplet configuration), stressing the important role that O atoms can play in aqueous solution, and in contact with biomolecules. Our observations are in line with both experimental and ab initio results from the literature. |
||||
Address | |||||
Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000415252400001 | Publication Date | 2017-02-13 | |
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 | 11 | Open Access | OpenAccess |
Notes | The authors thank Peter Bruggeman (University of Minnesota, USA) and Jan Benedikt (Ruhr-Universität Bochum, Germany) for the interesting discussions regarding the existence of O in aqueous solutions. Furthermore, they acknowledge financial support from the Fund for Scientific Research (FWO) Flanders (project number G012413N). 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: 2.588 | ||
Call Number | PLASMANT @ plasmant @ c:irua:140845 | Serial | 4420 | ||
Permanent link to this record | |||||
Author | Khalilov, U.; Bogaerts, A.; Xu, B.; Kato, T.; Kaneko, T.; Neyts, E.C. | ||||
Title | How the alignment of adsorbed ortho H pairs determines the onset of selective carbon nanotube etching | Type | A1 Journal article | ||
Year | 2017 | Publication | Nanoscale | Abbreviated Journal | Nanoscale |
Volume | 9 | Issue | 9 | Pages | 1653-1661 |
Keywords | A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract | Unlocking the enormous technological potential of carbon nanotubes strongly depends on our ability to specifically produce metallic or semiconducting tubes. While selective etching of both has already been demonstrated, the underlying reasons, however, remain elusive as yet. We here present computational and experimental evidence on the operative mechanisms at the atomic scale. We demonstrate that during the adsorption of H atoms and their coalescence, the adsorbed ortho hydrogen pairs on single-walled carbon nanotubes induce higher shear stresses than axial stresses, leading to the elongation of HC–CH bonds as a function of their alignment with the tube chirality vector, which we denote as the γ-angle. As a result, the C–C cleavage occurs more rapidly in nanotubes containing ortho H-pairs with a small γ-angle. This phenomenon can explain the selective etching of small-diameter semiconductor nanotubes with a similar curvature. Both theoretical and experimental results strongly indicate the important role of the γ-angle in the selective etching mechanisms of carbon nanotubes, in addition to the nanotube curvature and metallicity effects and lead us to clearly understand the onset of selective synthesis/removal of CNT-based materials. | ||||
Address | |||||
Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000395422800036 | Publication Date | 2016-12-19 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 2040-3364 | ISBN ![]() |
Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 7.367 | Times cited | 6 | Open Access | OpenAccess |
Notes | U. K. gratefully acknowledges financial support from the Fund of Scientific Research Flanders (FWO), Belgium (Grant No. 12M1315N). This work was also supported in part by Grant-in- Aid for Young Scientists A (Grant No. 25706028), Grant-in-Aid for Scientific Research on Innovative Areas (Grant No. 26107502) from JSPS KAKENHI. This work was carried out in part using the Turing HPC infrastructure at the CalcUA core facility of the Universiteit Antwerpen (UA), a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government (department EWI) and the UA. The authors also thank Prof. A. C. T. van Duin for sharing the ReaxFF code and J. Razzokov for his assistance to perform the DFT calculations. | Approved | Most recent IF: 7.367 | ||
Call Number | PLASMANT @ plasmant @ c:irua:140091 | Serial | 4417 | ||
Permanent link to this record |