Home [101–200] << 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250 251 252 253 254 255 256 257 258 259 260 261 262 263 264 265 266 267 268 269 270 271 272 273 274 275 276 277 278 279 280 281 282 283 284 285 286 287 288 289 290 291 292 293 294 295 296 >>
List View
 | 
Citations
 | 
Details
   web
Records
Author Razzokov, J.; Naderi, S.; van der Schoot, P.
Title Nanoscale insight into silk-like protein self-assembly: effect of design and number of repeat units Type A1 Journal article
Year 2018 Publication Physical biology Abbreviated Journal Phys. Biol.
Volume 15 Issue 6 Pages 066010
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract By means of replica exchange molecular dynamics simulations we investigate how the length of a silk-like, alternating diblock oligopeptide influences its secondary and quaternary structure. We carry out simulations for two protein sizes consisting of three and five blocks, and study the stability of a single protein, a dimer, a trimer and a tetramer. Initial configurations of our simulations are β-roll and β-sheet structures. We find that for the triblock the secondary and quaternary structures upto and including the tetramer are unstable: the proteins melt into random coil structures and the aggregates disassemble either completely or partially. We attribute this to the competition between conformational entropy of the proteins and the formation of hydrogen bonds and hydrophobic interactions between proteins. This is confirmed by our simulations on the pentablock proteins, where we find that, as the number of monomers in the aggregate increases, individual monomers form more hydrogen bonds whereas their solvent accessible surface area decreases. For the pentablock β-sheet protein, the monomer and the dimer melt as well, although for the β-roll protein only the monomer melts. For both trimers and tetramers remain stable. Apparently, for these the entropy loss of forming β-rolls and β-sheets is compensated for in the free-energy gain due to the hydrogen-bonding and hydrophobic interactions. We also find that the middle monomers in the trimers and tetramers are conformationally much more stable than the ones on the top and the bottom. Interestingly, the latter are more stable on the tetramer than on the trimer, suggesting that as the number of monomers increases protein-protein interactions cooperatively stabilize the assembly.

According to our simulations, the β-roll and β-sheet aggregates must be approximately equally

stable.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000444467000001 Publication Date 2018-09-12
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1478-3975 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited 1 Open Access OpenAccess
Notes The work of J Razzokov is supported by Jepa-Limmat Foundation. We thank Sarah Harris (University of Leeds) and Alexey Lyulin (Eindhoven University of Technology), for useful discussions and advice on the simulations. Eindhoven University of Technology is thanked by J Razzokov for their hospitality. We are grateful for computer time provided by the Dutch National Computing Facilities at the LISA facility at SURFsara. The work of S Naderi forms part of the research program of the Dutch Polymer Institute (DPI, Project No. 698). This work was supported by NWO Exacte Wetenschappen (Physical Sciences) for the use of supercomputer facilities, with financial support (Netherlands Organization for Scientific Research, NWO). Approved (up) Most recent IF: NA
Call Number PLASMANT @ plasmant @c:irua:153803c:irua:153596 Serial 5050
Permanent link to this record
 
 
Author Charalampopoulou, E.; Delville, R.; Verwerft, M.; Lambrinou, K.; Schryvers, D.
Title Transmission electron microscopy study of complex oxide scales on DIN 1.4970 steel exposed to liquid Pb-Bi eutectic Type A1 Journal article
Year 2019 Publication Corrosion science Abbreviated Journal Corrosion Science
Volume 147 Issue Pages 22-31
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract The deployment of Gen-IV lead-cooled fast reactors requires a good compatibility between the selected structural/cladding steels and the inherently corrosive heavy liquid metal coolant. An effective liquid metal corrosion mitigation strategy involves the in-situ steel passivation in contact with the oxygen-containing Pb-alloy coolant. Transmission electron microscopy was used in this work to study the multi-layered oxide scales forming on an austenitic stainless steel fuel cladding exposed to oxygen-containing (CO ≈ 10−6 mass%) static liquid leadbismuth eutectic (LBE) for 1000 h between 400 and 500 °C. The oxide scale constituents were analyzed, including the intertwined phases comprising the innermost biphasic layer.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000456902100003 Publication Date 2018-10-31
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0010938X ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited 5 Open Access OpenAccess
Notes The authors would like to thank J. Joris for the technical support during corrosion testing and J. Lim for the manufacturing and calibration of the oxygen sensors and oxygen pumps used in this work. E. Charalampopoulou personally thanks H. Heidari, S. Pourbabak, A. Orekhov (EMAT) and N. Cautaerts (EMAT, SCK•CEN), for their valuable help with the training of the FEI Tecnai Osiris S/TEM and Jeol 3000 S/ TEM, respectively, as well as S. Van den Broeck (EMAT), J. Pakarinen (SCK•CEN) and W. Van Renterghem (SCK•CEN) for FIB sample preparation. Moreover, the authors gratefully acknowledge the funding provided in the framework of the ongoing development of the MYRRHA irradiation facility. The research leading to these results falls within the framework of the European Energy Research Alliance Joint Programme on Nuclear Materials (EERA JPNM). Approved (up) Most recent IF: NA
Call Number EMAT @ emat @UA @ admin @ c:irua:157541 Serial 5164
Permanent link to this record
 
 
Author Khalilov, U.; Vets, C.; Neyts, E.C.
Title Molecular evidence for feedstock-dependent nucleation mechanisms of CNTs Type A1 Journal article
Year 2019 Publication Nanoscale Horizons Abbreviated Journal Nanoscale Horiz.
Volume 4 Issue 3 Pages 674-682
Keywords A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract Atomic scale simulations have been shown to be a powerful tool for elucidating the growth mechanisms of carbon nanotubes. The growth picture is however not entirely clear yet due to the gap between current simulations and real experiments. We here simulate for the first time the nucleation and subsequent growth of single-wall carbon nanotubes (SWNTs) from oxygen-containing hydrocarbon feedstocks using the hybrid Molecular Dynamics/Monte Carlo technique. The underlying nucleation mechanisms of Ni-catalysed SWNT growth are discussed in detail. Specifically, we find that as a function of the feedstock, different carbon fractions may emerge as the main growth species, due to a competition between the feedstock decomposition, its rehydroxylation and its contribution to etching of the growing SWNT. This study provides a further understanding of the feedstock effects in SWNT growth in comparison with available experimental evidence as well as with<italic>ab initio</italic>and other simulation data, thereby reducing the simulation–experiment gap.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000471816500011 Publication Date 2019-01-02
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2055-6756 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited 1 Open Access Not_Open_Access: Available from 03.01.2020
Notes Fonds Wetenschappelijk Onderzoek, 12M1318N 1S22516N ; The authors gratefully acknowledge financial support from the Research Foundation Flanders (FWO), Belgium (Grant numbers 12M1318N and 1S22516N). The work was carried out in part using the CalcUA core facility of the Universiteit Antwerpen, a division of the Flemish Supercomputer Centre VSC, funded by FWO and the Flemish Government (Department EWI). We thank Prof. A. C. T. van Duin for sharing the reax-code and forcefield parameters. Approved (up) Most recent IF: NA
Call Number PLASMANT @ plasmant @UA @ admin @ c:irua:159658 Serial 5169
Permanent link to this record
 
 
Author Pourbabak, S.; Orekhov, A.; Samaee, V.; Verlinden, B.; Van Humbeeck, J.; Schryvers, D.
Title In-Situ TEM Stress Induced Martensitic Transformation in Ni50.8Ti49.2 Microwires Type A1 Journal article
Year 2019 Publication Shape memory and superelasticity Abbreviated Journal Shap. Mem. Superelasticity
Volume 5 Issue 2 Pages 154-162
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract In-situ transmission electron microscopy tensile straining is used to study the stress induced martensitic transformation in Ni50.8Ti49.2. Two microwire samples with different heat treatment are investigated from which one single crystal and three polycrystalline TEM specimens, the latter with micro- and nano-size grains, have been produced. The measured Young’s modulus for all TEM specimens is around 70 GPa, considerably higher than the averaged 55 GPa of the original microwire sample. The height of the superelastic stress plateau shows an inverse relationship with the specimen thickness for the polycrystalline specimens. Martensite starts nucleating within the elastic region of the stress–strain curve and on the edges of the specimens while also grain boundaries act as nucleation sites in the polycrystalline specimens. When a martensite plate reaches a grain boundary in the polycrystalline specimen, it initiates the transformation in the neighboring grain at the other side of the grain boundary. In later stages martensite plates coalesce at higher loads in the stress plateau. In highly strained specimens, residual martensite remains after release.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000472940200002 Publication Date 2019-05-20
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2199-384X ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited Open Access Not_Open_Access
Notes Saeid Pourbabak likes to thank the Flemish Science Foundation FWO for financial support under Project G.0366.15N. This work was also made possible through the AUHA13009 Grant “TopSPIN for TEM nanostatistics” of the Flemish HERCULES foundation. Approved (up) Most recent IF: NA
Call Number EMAT @ emat @UA @ admin @ c:irua:159989 Serial 5177
Permanent link to this record
 
 
Author Bercx, M.; Slap, L.; Partoens, B.; Lamoen, D.
Title First-Principles Investigation of the Stability of the Oxygen Framework of Li-Rich Battery Cathodes Type A1 Journal article
Year 2019 Publication MRS advances Abbreviated Journal MRS Adv.
Volume 4 Issue 14 Pages 813-820
Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)
Abstract Lithium-rich layered oxides such as Li<sub>2</sub>MnO<sub>3</sub>have shown great potential as cathodes in Li-ion batteries, mainly because of their large capacities. However, these materials still suffer from structural degradation as the battery is cycled, reducing the average voltage and capacity of the cell. The voltage fade is believed to be related to the migration of transition metals into the lithium layer, linked to the formation of O-O dimers with a short bond length, which in turn is driven by the presence of oxygen holes due to the participation of oxygen in the redox process. We investigate the formation of O-O dimers for partially charged O1-Li<sub>2</sub>MnO<sub>3</sub>using a first-principles density functional theory approach by calculating the reaction energy and kinetic barriers for dimer formation. Next, we perform similar calculations for partially charged O1-Li<sub>2</sub>IrO<sub>3</sub>, a Li-rich material for which the voltage fade was not observed during cycling. When we compare the stability of the oxygen framework, we conclude that the formation of O-O dimers is both thermodynamically and kinetically viable for O1-Li<sub>0.5</sub>MnO<sub>3</sub>. For O1-Li<sub>0.5</sub>IrO<sub>3</sub>, we observe that the oxygen lattice is much more stable, either returning to its original state when perturbed, or resulting in a structure with an O-O dimer that is much higher in energy. This can be explained by the mixed redox process for Li<sub>2</sub>IrO<sub>3</sub>, which is also shown from the calculated magnetic moments. The lack of O-O dimer formation in O1-Li<sub>0.5</sub>IrO<sub>3</sub>provides valuable insight as to why Li<sub>2</sub>IrO<sub>3</sub>does not demonstrate a voltage fade as the battery is cycled, which can be used to design Li-rich battery cathodes with an improved cycling performance.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000466846700004 Publication Date 2019-02-21
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2059-8521 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited 3 Open Access Not_Open_Access: Available from 22.02.2020
Notes We acknowledge the financial support of FWO-Vlaanderen through project G040116N. The computational resources and services used in this work were provided by the VSC (Flemish Supercomputer Center) and the HPC infrastructure of the University of Antwerp (CalcUA), both funded by the FWO-Vlaanderen and the Flemish Government-department EWI. Approved (up) Most recent IF: NA
Call Number EMAT @ emat @UA @ admin @ c:irua:160121 Serial 5179
Permanent link to this record
 
 
Author Asapu, R.; Claes, N.; Ciocarlan, R.-G.; Minjauw, M.; Detavernier, C.; Cool, P.; Bals, S.; Verbruggen, S.W.
Title Electron Transfer and Near-Field Mechanisms in Plasmonic Gold-Nanoparticle-Modified TiO2Photocatalytic Systems Type A1 Journal article
Year 2019 Publication ACS applied nano materials Abbreviated Journal ACS Appl. Nano Mater.
Volume 2 Issue 2 Pages 4067-4074
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Laboratory of adsorption and catalysis (LADCA); Sustainable Energy, Air and Water Technology (DuEL)
Abstract The major mechanism responsible for plasmonic enhancement of titanium dioxide photocatalysis using gold nanoparticles is still under contention. This work introduces an experimental strategy to disentangle the significance of the charge transfer and near-field mechanisms in plasmonic photocatalysis. By controlling the thickness and conductive nature of a nanoparticle shell that acts as a spacer layer separating the plasmonic metal core from the TiO2 surface, field enhancement or charge transfer effects can be selectively repressed or evoked. Layer-by-layer and in situ polymerization methods are used to synthesize gold core–polymer shell nanoparticles with shell thickness control up to the sub-nanometer level. Detailed optical and electrical characterization supported by near-field simulation models corroborate the trends in photocatalytic activity of the different systems. This approach mainly points at an important contribution of the enhanced near field.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000477917700006 Publication Date 2019-05-31
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2574-0970 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited 32 Open Access OpenAccess
Notes This work was supported by Research Foundation Flanders (FWO). P.C. and R-G.C. acknowledge financial support from FWO (Project No. G038215N). N.C. and S.B. acknowledge financial support from the European Research Council (ERC Starting Grant No. 335078-COLOURATOM). Approved (up) Most recent IF: NA
Call Number EMAT @ emat @UA @ admin @ c:irua:160579 Serial 5184
Permanent link to this record
 
 
Author Gasparotto, A.; Maccato, C.; Sada, C.; Carraro, G.; Kondarides, D.I.; Bebelis, S.; Petala, A.; La Porta, A.; Altantzis, T.; Barreca, D.
Title Controlled Surface Modification of ZnO Nanostructures with Amorphous TiO2for Photoelectrochemical Water Splitting Type A1 Journal Article
Year 2019 Publication Advanced Sustainable Systems Abbreviated Journal Adv. Sustainable Syst.
Volume Issue Pages 1900046
Keywords A1 Journal Article; Electron Microscopy for Materials Science (EMAT) ;
Abstract The utilization of solar radiation to trigger photoelectrochemical (PEC) water splitting has gained interest for sustainable energy production. In this study, attention is focused on the development of ZnO–TiO2 nanocomposite photoanodes. The target systems are obtained by growing porous arrays of highly crystalline, elongated ZnO nanostructures on indium tin oxide (ITO) by chemical vapor deposition. Subsequently, the obtained nanodeposits are functionalized with TiO2 via radio frequency-sputtering for different process durations, and subjected to final annealing in air. Characterization results demonstrate the successful formation of high purity composite systems in which the surface of ZnO nanostructures is decorated by ultra-small amounts of amorphous titania, whose content can be conveniently tailored as a function of deposition time. Photocurrent density measurements in sunlight triggered water splitting highlight a remarkable performance enhancement with respect to single-phase zinc and titanium oxides, with up to a threefold photocurrent increase compared to bare ZnO. These results, mainly traced back to the formation of ZnO/TiO2 heterojunctions yielding an improved photocarrier separation, show that the target nanocomposites are attractive photoanodes for efficient PEC water splitting.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos Publication Date 2019-06-03
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2366-7486 ISBN Additional Links
Impact Factor Times cited Open Access Not_Open_Access
Notes This work was financially supported by Padova University DOR 2016–2019, P-DiSC #03BIRD2016-UNIPD, and #03BIRD2018-UNIPD projects and ACTION post-doc fellowship. A.G. acknowledges AMGAFoundation and INSTM Consortium. T.A. acknowledges a postdoctoral grant from the Research Foundation Flanders (FWO, Belgium). Thanks are also due to Dr. Sebastiano Pianta (Department of Chemical Sciences, Padova University, Italy) for experimental assistance. Approved (up) Most recent IF: NA
Call Number EMAT @ emat @ Serial 5186
Permanent link to this record
 
 
Author Snoeckx, R.; Van Wesenbeeck, K.; Lenaerts, S.; Cha, M.S.; Bogaerts, A.
Title Suppressing the formation of NOxand N2O in CO2/N2dielectric barrier discharge plasma by adding CH4: scavenger chemistry at work Type A1 Journal article
Year 2019 Publication Sustainable Energy & Fuels Abbreviated Journal Sustainable Energy Fuels
Volume 3 Issue 6 Pages 1388-1395
Keywords A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT); Sustainable Energy, Air and Water Technology (DuEL)
Abstract The need for carbon negative technologies led to the development of a wide array of novel CO<sub>2</sub>conversion techniques. Most of them either rely on high temperatures or generate highly reactive O species, which can lead to the undesirable formation of NO<sub>x</sub>and N<sub>2</sub>O when the CO<sub>2</sub>feeds contain N<sub>2</sub>. Here, we show that, for plasma-based CO<sub>2</sub>conversion, adding a hydrogen source, as a chemical oxygen scavenger, can suppress their formation,<italic>in situ</italic>. This allows the use of low-cost N<sub>2</sub>containing (industrial and direct air capture) feeds, rather than expensive purified CO<sub>2</sub>. To demonstrate this, we add CH<sub>4</sub>to a dielectric barrier discharge plasma used for converting impure CO<sub>2</sub>. We find that when adding a stoichiometric amount of CH<sub>4</sub>, 82% less NO<sub>2</sub>and 51% less NO are formed. An even higher reduction (96 and 63%) can be obtained when doubling this amount. However, in that case the excess radicals promote the formation of by-products, such as HCN, NH<sub>3</sub>and CH<sub>3</sub>OH. Thus, we believe that by using an appropriate amount of chemical scavengers, we can use impure CO<sub>2</sub>feeds, which would bring us closer to ‘real world’ conditions and implementation.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000469258600021 Publication Date 2019-02-20
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2398-4902 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited Open Access OpenAccess
Notes Fonds Wetenschappelijk Onderzoek, G0F9618N ; Universiteit Antwerpen; King Abdullah University of Science and Technology, BAS/1/1384-01-01 ;The research reported in this publication was supported by funding from the “Excellence of Science Program” (Fund for Scientic Research Flanders (FWO): grant no. G0F9618N; EOS ID: 30505023). The authors R. S. and M. S. C. acknowledge nancial support from King Abdullah University of Science and Technology (KAUST), under award number BAS/1/1384-01-01. Approved (up) Most recent IF: NA
Call Number PLASMANT @ plasmant @UA @ admin @ c:irua:160268 Serial 5188
Permanent link to this record
 
 
Author Bekaert, J.
Title Ab initio description of multicomponent superconductivity in bulk to atomically thin materials Type Doctoral thesis
Year 2018 Publication Abbreviated Journal
Volume Issue Pages 290 p.
Keywords Doctoral thesis; Condensed Matter Theory (CMT)
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 (up) Most recent IF: NA
Call Number UA @ admin @ c:irua:151304 Serial 5192
Permanent link to this record
 
 
Author de Aquino, B.R.C.H.T.
Title Carbon nanotubes and graphene based devices : from nanosensors to confined water Type Doctoral thesis
Year 2018 Publication Abbreviated Journal
Volume Issue Pages 161 p.
Keywords Doctoral thesis; Condensed Matter Theory (CMT)
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 (up) Most recent IF: NA
Call Number UA @ admin @ c:irua:154838 Serial 5197
Permanent link to this record
 
 
Author Mulkers, J.
Title Confinement phenomena in chiral ferromagnetic films Type Doctoral thesis
Year 2018 Publication Abbreviated Journal
Volume Issue Pages 156 p.
Keywords Doctoral thesis; Condensed Matter Theory (CMT)
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 (up) Most recent IF: NA
Call Number UA @ admin @ c:irua:156461 Serial 5200
Permanent link to this record
 
 
Author Callewaert, V.
Title Development and application of a non-local theory for the description of positron surface states Type Doctoral thesis
Year 2018 Publication Abbreviated Journal
Volume Issue Pages 151 p.
Keywords Doctoral thesis; Condensed Matter Theory (CMT)
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 (up) Most recent IF: NA
Call Number UA @ admin @ c:irua:155688 Serial 5204
Permanent link to this record
 
 
Author Marikutsa, A.; Rumyantseva, M.; Gaskov, A.; Batuk, M.; Hadermann, J.; Sarmadian, N.; Saniz, R.; Partoens, B.; Lamoen, D.
Title Effect of zinc oxide modification by indium oxide on microstructure, adsorbed surface species, and sensitivity to CO Type A1 Journal article
Year 2019 Publication Frontiers in materials Abbreviated Journal
Volume 6 Issue 6 Pages
Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)
Abstract Additives in semiconductor metal oxides are commonly used to improve sensing behavior of gas sensors. Due to complicated effects of additives on the materials microstructure, adsorption sites and reactivity to target gases the sensing mechanism with modified metal oxides is a matter of thorough research. Herein, we establish the promoting effect of nanocrystalline zinc oxide modification by 1-7 at.% of indium on the sensitivity to CO gas due to improved nanostructure dispersion and concentration of active sites. The sensing materials were synthesized via an aqueous coprecipitation route. Materials composition, particle size and BET area were evaluated using X-ray diffraction, nitrogen adsorption isotherms, high-resolution electron microscopy techniques and EDX-mapping. Surface species of chemisorbed oxygen, OH-groups, and acid sites were characterized by probe molecule techniques and infrared spectroscopy. It was found that particle size of zinc oxide decreased and the BET area increased with the amount of indium oxide. The additive was observed as amorphous indium oxide segregated on agglomerated ZnO nanocrystals. The measured concentration of surface species was higher on In2O3-modified zinc oxide. With the increase of indium oxide content, the sensor response of ZnO/In2O3 to CO was improved. Using in situ infrared spectroscopy, it was shown that oxidation of CO molecules was enhanced on the modified zinc oxide surface. The effect of modifier was attributed to promotion of surface OH-groups and enhancement of CO oxidation on the segregated indium ions, as suggested by DFT in previous work.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000461540600001 Publication Date 2019-03-15
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2296-8016 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited 11 Open Access OpenAccess
Notes ; Research was supported by the grant from Russian Science Foundation (project No. 18-73-00071). ; Approved (up) Most recent IF: NA
Call Number UA @ admin @ c:irua:158540 Serial 5205
Permanent link to this record
 
 
Author Flammia, L.
Title Emergent phenomena in nanostructured quantum-confined superconducting films Type Doctoral thesis
Year 2018 Publication Abbreviated Journal
Volume Issue Pages 172 p.
Keywords Doctoral thesis; Condensed Matter Theory (CMT)
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 (up) Most recent IF: NA
Call Number UA @ admin @ c:irua:158197 Serial 5208
Permanent link to this record
 
 
Author Jelić, Ž.
Title Emergent vortex phenomena in spatially and temporally modulated superconducting condensates Type Doctoral thesis
Year 2018 Publication Abbreviated Journal
Volume Issue Pages 181 p.
Keywords Doctoral thesis; Engineering sciences. Technology; Condensed Matter Theory (CMT)
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 (up) Most recent IF: NA
Call Number UA @ admin @ c:irua:149394 Serial 5209
Permanent link to this record
 
 
Author Ribeiro Gomes, R.
Title The first order equations for the Ginzburg-Landau theory and the vortex states near a permalloy disk Type Doctoral thesis
Year 2018 Publication Abbreviated Journal
Volume Issue Pages 220 p.
Keywords Doctoral thesis; Condensed Matter Theory (CMT)
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 (up) Most recent IF: NA
Call Number UA @ admin @ c:irua:152233 Serial 5213
Permanent link to this record
 
 
Author Li, L.
Title First-principles studies of novel two-dimensional dirac materials Type Doctoral thesis
Year 2019 Publication Abbreviated Journal
Volume Issue Pages 152 p.
Keywords Doctoral thesis; Engineering sciences. Technology; Condensed Matter Theory (CMT)
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 (up) Most recent IF: NA
Call Number UA @ admin @ c:irua:160527 Serial 5214
Permanent link to this record
 
 
Author Ghorbanfekr Kalashami, H.
Title Graphene-based membranes and nanoconfined water : molecular dynamics simulation study Type Doctoral thesis
Year 2019 Publication Abbreviated Journal
Volume Issue Pages 243 p.
Keywords Doctoral thesis; Condensed Matter Theory (CMT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
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 (up) Most recent IF: NA
Call Number UA @ admin @ c:irua:160548 Serial 5216
Permanent link to this record
 
 
Author Bizindavyi, J.; Verhulst, A.S.; Sorée, B.; Groeseneken, G.
Title Impact of calibrated band-tails on the subthreshold swing of pocketed TFETs Type P1 Proceeding
Year 2018 Publication Conference digest T2 – 76th Device Research Conference (DRC), JUN 24-27, 2018, Santa Barbara, CA Abbreviated Journal
Volume Issue Pages
Keywords P1 Proceeding; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000444728400086 Publication Date 2018-09-07
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 978-1-5386-3028-0 ISBN Additional Links UA library record; WoS full record
Impact Factor Times cited Open Access
Notes Approved (up) Most recent IF: NA
Call Number UA @ admin @ c:irua:153780 Serial 5217
Permanent link to this record
 
 
Author Kaintura, A.; Foss, K.; Couckuyt, I.; Dhaene, T.; Zografos, O.; Vaysset, A.; Sorée, B.
Title Machine Learning for Fast Characterization of Magnetic Logic Devices Type P1 Proceeding
Year 2018 Publication (edaps 2018) Abbreviated Journal
Volume Issue Pages
Keywords P1 Proceeding; Condensed Matter Theory (CMT)
Abstract Non-charge-based logic devices are promising candidates for future logic circuits. Interest in studying and developing these devices has grown dramatically in the past decade as they possess key advantages over conventional CMOS technology. Due to their novel designs, a large number of micromagnetic simulations are required to fully characterize the behavior of these devices. The number and complexity of these simulations place large computational requirements on device development. We use state-of-the-art machine learning techniques to expedite identification of their behavior. Several intelligent sampling strategies are combined with machine learning multi-class classification models. These techniques are applied to a recently developed exchange-driven magnetic logic scheme that utilizes direct exchange coupling as the main driver.
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 978-1-5386-6592-3 ISBN Additional Links UA library record; WoS full record
Impact Factor Times cited Open Access
Notes Approved (up) Most recent IF: NA
Call Number UA @ admin @ c:irua:160484 Serial 5219
Permanent link to this record
 
 
Author Saberi-Pouya, S.
Title Many body properties in monolayer and doublelayer black phosphorus Type Doctoral thesis
Year 2018 Publication Abbreviated Journal
Volume Issue Pages 148 p.
Keywords Doctoral thesis; Condensed Matter Theory (CMT)
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 (up) Most recent IF: NA
Call Number UA @ admin @ c:irua:151744 Serial 5220
Permanent link to this record
 
 
Author Domingos, J.L.C.
Title Study of colloidal systems of anisotropic magnetic particles Type Doctoral thesis
Year 2018 Publication Abbreviated Journal
Volume Issue Pages 114 p.
Keywords Doctoral thesis; Condensed Matter Theory (CMT)
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 (up) Most recent IF: NA
Call Number UA @ admin @ c:irua:152284 Serial 5232
Permanent link to this record
 
 
Author Rezvani, S.J.; Perali, A.; Fretto, M.; De Leo, N.; Flammia, L.; Milošević, M.; Nannarone, S.; Pinto, N.
Title Substrate-induced proximity effect in superconducting niobium nanofilms Type A1 Journal article
Year 2018 Publication Condensed Matter Abbreviated Journal
Volume 4 Issue 1 Pages 4
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Structural and superconducting properties of high-quality niobium nanofilms with different thicknesses are investigated on silicon oxide (SiO2) and sapphire substrates. The role played by the different substrates and the superconducting properties of the Nb films are discussed based on the defectivity of the films and on the presence of an interfacial oxide layer between the Nb film and the substrate. The X-ray absorption spectroscopy is employed to uncover the structure of the interfacial layer. We show that this interfacial layer leads to a strong proximity effect, especially in films deposited on a SiO2 substrate, altering the superconducting properties of the Nb films. Our results establish that the critical temperature is determined by an interplay between quantum-size effects, due to the reduction of the Nb film thicknesses, and proximity effects. The detailed investigation here provides reference characterizations and has direct and important implications for the fabrication of superconducting devices based on Nb nanofilms.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000464289300001 Publication Date 2018-12-31
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2410-3896 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited 3 Open Access
Notes ; This project was financially supported by University of Camerino, FAR project CESEMN. ; Approved (up) Most recent IF: NA
Call Number UA @ admin @ c:irua:159463 Serial 5233
Permanent link to this record
 
 
Author Moors, K.; Contino, A.; Van de Put, M.L.; Vandenberghe, W.G.; Fischetti, M., V; Magnus, W.; Sorée, B.
Title Theoretical study of scattering in graphene ribbons in the presence of structural and atomistic edge roughness Type A1 Journal article
Year 2019 Publication Physical review materials Abbreviated Journal
Volume 3 Issue 2 Pages 024001
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract We investigate the diffusive electron-transport properties of charge-doped graphene ribbons and nanoribbons with imperfect edges. We consider different regimes of edge scattering, ranging from wide graphene ribbons with (partially) diffusive edge scattering to ribbons with large width variations and nanoribbons with atomistic edge roughness. For the latter, we introduce an approach based on pseudopotentials, allowing for an atomistic treatment of the band structure and the scattering potential, on the self-consistent solution of the Boltzmann transport equation within the relaxation-time approximation and taking into account the edge-roughness properties and statistics. The resulting resistivity depends strongly on the ribbon orientation, with zigzag (armchair) ribbons showing the smallest (largest) resistivity and intermediate ribbon orientations exhibiting intermediate resistivity values. The results also show clear resistivity peaks, corresponding to peaks in the density of states due to the confinement-induced subband quantization, except for armchair-edge ribbons that show a very strong width dependence because of their claromatic behavior. Furthermore, we identify a strong interplay between the relative position of the two valleys of graphene along the transport direction, the correlation profile of the atomistic edge roughness, and the chiral valley modes, leading to a peculiar strongly suppressed resistivity regime, most pronounced for the zigzag orientation.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000458161800001 Publication Date 2019-02-06
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2475-9953 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited 4 Open Access
Notes ; We acknowledge the Research Foundation – Flanders (FWO) for supporting K.M.'s research visit at the University of Texas at Dallas, as well as the support by the National Research Fund Luxembourg (FNR) with ATTRACT Grant No. 7556175. ; Approved (up) Most recent IF: NA
Call Number UA @ admin @ c:irua:157499 Serial 5235
Permanent link to this record
 
 
Author Yin, C.; Krishnan, D.; Gauquelin, N.; Verbeeck, J.; Aarts, J.
Title Controlling the interfacial conductance in LaAlO3/SrTiO3 in 90 degrees off-axis sputter deposition Type A1 Journal article
Year 2019 Publication Physical review materials Abbreviated Journal
Volume 3 Issue 3 Pages 034002
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract We report on the fabrication of conducting interfaces between LaAlO3 and SrTiO3 by 90 degrees off-axis sputtering in an Ar atmosphere. At a growth pressure of 0.04 mbar the interface is metallic, with a carrier density of the order of 1 x 10(13) cm(-2) at 3 K. By increasing the growth pressure, we observe an increase of the out-of-plane lattice constants of the LaAlO3 films while the in-plane lattice constants do not change. Also, the low-temperature sheet resistance increases with increasing growth pressure, leading to an insulating interface when the growth pressure reaches 0.10 mbar. We attribute the structural variations to an increase of the La/Al ratio, which also explains the transition from metallic behavior to insulating behavior of the interfaces. Our research shows that the control which is furnished by the Ar pressure makes sputtering as versatile a process as pulsed laser deposition, and emphasizes the key role of the cation stoichiometry of LaAlO3 in the formation of the conducting interface.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000461077100002 Publication Date 2019-03-12
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2475-9953 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.926 Times cited 4 Open Access Not_Open_Access
Notes ; We thank Nikita Lebedev, Aymen Ben Hamida, and Prateek Kumar for useful discussions and Giordano Mattoni, Jun Wang, Vincent Joly, and Hozanna Miro for their technical assistance. We also thank Jean-Marc Triscone and his group for sharing their design of the sputtering system with us. This work is part of the FOM research programme DESCO with Project No. 149, which is (partly) financed by the Netherlands Organisation for Scientific Research (NWO). C.Y. is supported by China Scholarship Council (CSC) with Grant No. 201508110214. N.G., D.K., and J.V. acknowledge financial support from the GOA project “Solarpaint” of the University of Antwerp. ; Approved (up) Most recent IF: NA
Call Number UA @ admin @ c:irua:158547 Serial 5243
Permanent link to this record
 
 
Author Mourdikoudis, S.; Montes-Garcia, V.; Rodal-Cedeira, S.; Winckelmans, N.; Perez-Juste, I.; Wu, H.; Bals, S.; Perez-Juste, J.; Pastoriza-Santos, I.
Title Highly porous palladium nanodendrites : wet-chemical synthesis, electron tomography and catalytic activity Type A1 Journal article
Year 2019 Publication Journal of the Chemical Society : Dalton transactions Abbreviated Journal
Volume 48 Issue 48 Pages 3758-3767
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract A simple procedure to obtain highly porous hydrophilic palladium nanodendrites in one-step is described. The synthetic strategy is based on the thermal reduction of a Pd precursor in the presence of a positively charged polyelectrolyte such as polyethylenimine (PEI). Advanced electron microscopy techniques combined with X-ray diffraction (XRD), thermogravimetry and BET analysis demonstrate the polycrystalline nature of the nanodendrites as well as their high porosity and active surface area, facilitating a better understanding of their unique morphology. Besides, catalytic studies performed using Raman scattering and UV-Vis spectroscopies revealed that the nanodendrites exhibit a superior performance as recyclable catalysts towards hydrogenation reaction compared to other noble metal nanoparticles.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000461088700027 Publication Date 2019-02-18
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0300-9246; 1477-9226; 1472-7773 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited 23 Open Access OpenAccess
Notes ; This work was supported by the Ministerio de Economia y Competitividad (MINECO, Spain) under the Grant MAT2016-77809-R, Xunta de Galicia (GRC ED431C 2016-048 and Centro Singular de Investigacion de Galicia (ED431G/02)) and Fundacion Ramon Areces (SERSforSafety). S. M. acknowledges funding from the General Secretariat for Research and Technology in Greece (Project PE4 (1546)). S. B. and N. W. acknowledge financial support by the European Research Council (ERC Starting Grant #335078-COLOURATOMS). We thank the EPSRC CNIE Research Facility (EPSRC Award, EP/K038656/1) at the University College London for the collection of the BET data. Authors thank J. Millos for the XRD measurements. ; Approved (up) Most recent IF: NA
Call Number UA @ admin @ c:irua:158530 Serial 5251
Permanent link to this record
 
 
Author Zhang, G.; Zhou, Y.; Korneychuk, S.; Samuely, T.; Liu, L.; May, P.W.; Xu, Z.; Onufriienko, O.; Zhang, X.; Verbeeck, J.; Samuely, P.; Moshchalkov, V.V.; Yang, Z.; Rubahn, H.-G.
Title Superconductor-insulator transition driven by pressure-tuned intergrain coupling in nanodiamond films Type A1 Journal article
Year 2019 Publication Physical review materials Abbreviated Journal
Volume 3 Issue 3 Pages 034801
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract We report on the pressure-driven superconductor-insulator transition in heavily boron-doped nanodiamond films. By systematically increasing the pressure, we suppress the Josephson coupling between the superconducting nanodiamond grains. The diminished intergrain coupling gives rise to an overall insulating state in the films, which is interpreted in the framework of a parallel-series circuit model to be the result of bosonic insulators with preserved localized intragrain superconducting order parameters. Our investigation opens up perspectives for the application of high pressure in research on quantum confinement and coherence. Our data unveil the percolative nature of the electrical transport in nanodiamond films, and highlight the essential role of grain boundaries in determining the electronic properties of this material.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000460684600002 Publication Date 2019-03-05
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2475-9953 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.926 Times cited 5 Open Access Not_Open_Access
Notes ; Y.Z. and Z.Y. acknowledge support from the National Key Research and Development Program of China (Grants No. 2018YFA0305700 and No. 2016YFA0401804), the National Natural Science Foundation of China (Grants No. 11574323, No. 11704387, and No. U1632275), the Natural Science Foundation of Anhui Province (Grants No. 1708085QA19 and No. 1808085MA06), and the Director's Fund of Hefei Institutes of Physical Science, Chinese Academy of Sciences (YZJJ201621). J.V. and S.K. acknowledge funding from the GOA project “Solarpaint” of the University of Antwerp, and thank the FWO (Research Foundation-Flanders) for financial support under Contract No. G.0044.13N “Charge ordering”. The Qu-Ant-EM microscope was partly funded by the Hercules fund from the Flemish Government. T.S., O.O., and P.S. are supported by APVV-0036-11, APVV-0605-14, VEGA 1/0409/15, VEGA 2/0149/16, and EU ERDF-ITMS 26220120005. L.L. acknowledges the financial support of a FWO postdoctoral research fellowship (12V4419N) and the KU Leuven C1 project OPTIPROBE (C14/16/ 063). ; Approved (up) Most recent IF: NA
Call Number UA @ admin @ c:irua:158561 Serial 5260
Permanent link to this record
 
 
Author Paunska, T.; Trenchev, G.; Bogaerts, A.; Kolev, S.
Title A 2D model of a gliding arc discharge for CO2conversion Type P1 Proceeding
Year 2019 Publication AIP conference proceedings T2 – 10th Jubilee Conference of the Balkan-Physical-Union (BPU), AUG 26-30, 2018, Sofia, BULGARIA Abbreviated Journal
Volume Issue Pages
Keywords P1 Proceeding; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract The study presents a 2D fluid plasma model of a gliding arc discharge for dissociation of CO2 which allows its subsequent conversion into value-added chemicals. The model is based on the balance equations of charged and neutral particles, the electron energy balance equation, the gas thermal balance equation and the current continuity equation. By choosing the modeling domain to be the plane perpendicular to the arc current, the numerical calculations are significantly simplified. Thus, the model allows us to explore the influence of the gas instabilities (turbulences) on the energy efficiency of CO2 conversion. This paper presents results for plasma parameters at different values of the effective turbulent thermal conductivity leading to enhanced energy transport.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000472653800069 Publication Date 2019-02-27
Series Editor Series Title Abbreviated Series Title
Series Volume 2075 Series Issue Edition
ISSN 978-0-7354-1803-5; 978-0-7354-1803-5; 0094-243x ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited Open Access
Notes Approved (up) Most recent IF: NA
Call Number UA @ admin @ c:irua:161422 Serial 6281
Permanent link to this record
 
 
Author Razzokov, J.
Title Molecular level simulations for plasma medicine applications Type Doctoral thesis
Year 2019 Publication Abbreviated Journal
Volume Issue Pages 173 p.
Keywords Doctoral thesis; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
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 (up) Most recent IF: NA
Call Number UA @ admin @ c:irua:159654 Serial 5277
Permanent link to this record
 
 
Author Michielsen, I.
Title Plasma catalysis : study of packing materials on CO2 reforming in a DBD reactor Type Doctoral thesis
Year 2019 Publication Abbreviated Journal
Volume Issue Pages 215 p.
Keywords Doctoral thesis; Laboratory of adsorption and catalysis (LADCA); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
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 (up) Most recent IF: NA
Call Number UA @ admin @ c:irua:160087 Serial 5278
Permanent link to this record