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Author Badalyan, S.M.; Matos-Abiague, A.; Fabian, J.; Vignale, G.; Peeters, F.M.
  Title Spin-orbit-interaction induced singularity of the charge density relaxation propagator Type A1 Journal article
  Year 2013 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
  Volume 88 Issue 19 Pages 195402-195405
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract The charge density relaxation propagator of a two-dimensional electron system, which is the slope of the imaginary part of the polarization function, exhibits singularities for bosonic momenta having the order of the spin-orbit momentum and depending on the momentum orientation. We have provided an intuitive understanding for this nonanalytic behavior in terms of the interchirality subband electronic transitions, induced by the combined action of Bychkov-Rashba (BR) and Dresselhaus (D) spin-orbit coupling. It is shown that the regular behavior of the relaxation propagator is recovered in the presence of only one BR or D spin-orbit field or for spin-orbit interaction with equal BR and D coupling strengths. This creates a new possibility to influence carrier relaxation properties by means of an applied electric field.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000326820200005 Publication Date (down) 2013-11-07
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 3.836 Times cited 2 Open Access
  Notes ; We acknowledge support from the Methusalem program of the Flemish government and the Flemish Science Foundation (FWO-Vl), DFG SFB Grant 689, and NSF Grant DMR-1104788 (G.V.). ; Approved Most recent IF: 3.836; 2013 IF: 3.664
  Call Number UA @ lucian @ c:irua:112711 Serial 3093
Permanent link to this record
 

 
Author Berdiyorov, G.R.; Peeters, F.M.
  Title Influence of vacancy defects on the thermal stability of silicene: a reactive molecular dynamics study Type A1 Journal article
  Year 2014 Publication RSC advances Abbreviated Journal Rsc Adv
  Volume 4 Issue 3 Pages 1133-1137
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract The effect of vacancy defects on the structural properties and the thermal stability of free standing silicene – a buckled structure of hexagonally arranged silicon atoms – is studied using reactive molecular dynamics simulations. Pristine silicene is found to be stable up to 1500 K, above which the system transits to a three-dimensional amorphous configuration. Vacancy defects result in local structural changes in the system and considerably reduce the thermal stability of silicene: depending on the size of the vacancy defect, the critical temperature decreases by more than 30%. However, the system is still found to be stable well above room temperature within our simulation time of 500 ps. We found that the, stability of silicene can be increased by saturating the dangling bonds at the defect edges by foreign atoms (e.g., hydrogen).
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000327868400015 Publication Date (down) 2013-11-06
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2046-2069; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 3.108 Times cited 62 Open Access
  Notes ; This work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem Foundation of the Flemish Government. The authors are grateful to Prof. Adri van Duin for his support with the ReaxFF force field. ; Approved Most recent IF: 3.108; 2014 IF: 3.840
  Call Number UA @ lucian @ c:irua:112829 Serial 1658
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Author Bogomolova, A.; Hruby, M.; Panek, J.; Rabyk, M.; Turner, S.; Bals, S.; Steinhart, M.; Zhigunov, A.; Sedlacek, O.; Stepanek, P.; Filippov, S.K.;
  Title Small-angle X-ray scattering and light scattering study of hybrid nanoparticles composed of thermoresponsive triblock copolymer F127 and thermoresponsive statistical polyoxazolines with hydrophobic moieties Type A1 Journal article
  Year 2013 Publication Journal of applied crystallography Abbreviated Journal J Appl Crystallogr
  Volume 46 Issue 6 Pages 1690-1698
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract A combination of new thermoresponsive statistical polyoxazolines, poly[(2-butyl-2-oxazoline)-stat-(2-isopropyl-2-oxazoline)] [pBuOx-co-piPrOx], with different hydrophobic moieties and F127 surfactant as a template system for the creation of thermosensitive nanoparticles for radionuclide delivery has recently been tested [Pánek, Filippov, Hrubý, Rabyk, Bogomolova, Kučka Stěpánek (2012). Macromol. Rapid Commun.33, 16831689]. It was shown that the presence of the thermosensitive F127 triblock copolymer in solution reduces nanoparticle size and polydispersity. This article focuses on a determination of the internal structure and solution properties of the nanoparticles in the temperature range from 288 to 312 K. Here, it is demonstrated that below the cloud point temperature (CPT) the polyoxazolines and F127 form complexes that co-exist in solution with single F127 molecules and large aggregates. When the temperature is raised above the CPT, nanoparticles composed of polyoxazolines and F127 are predominant in solution. These nanoparticles could be described by a spherical shell model. It was found that the molar weight and hydrophobicity of the polymer do not influence the size of the outer radius and only slightly change the inner radius of the nanoparticles. At the same time, molar weight and hydrophobicity did affect the process of nanoparticle formation. In conclusion, poly(2-oxazoline) molecules are fully incorporated inside of F127 micelles, and this result is very promising for the successful application of such systems in radionuclide delivery.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Copenhagen Editor
  Language Wos 000327070000020 Publication Date (down) 2013-11-06
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0021-8898; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor Times cited 18 Open Access
  Notes 262348 Esmi; Fwo; Iap-Pai Approved Most recent IF: NA
  Call Number UA @ lucian @ c:irua:112420 Serial 3042
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Author Mei, B.; Wiktor, C.; Turner, S.; Pougin, A.; Van Tendeloo, G.; Fischer, R.A.; Muhler, M.; Strunk, J.
  Title Evidence for metalsupport interactions in Au modified TiOx/SBA-15 materials prepared by photodeposition Type A1 Journal article
  Year 2013 Publication ACS catalysis Abbreviated Journal Acs Catal
  Volume 3 Issue 12 Pages 3041-3049
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract Gold nanoparticles have been efficiently photodeposited onto titanate-loaded SBA-15 (Ti(x)/SBA-15) with different titania coordination. Transmission electron microscopy shows that relatively large Au nanoparticles are photodeposited on the outer surface of the Ti(x)/SBA-15 materials and that TiOx tends to form agglomerates in close proximity to the Au nanoparticles, often forming coreshell Au/TiOx structures. This behavior resembles typical processes observed due to strong-metal support interactions. In the presence of gold, the formation of hydrogen on Ti(x)/SBA-15 during the photodeposition process and the performance in the hydroxylation of terephthalic acid is greatly enhanced. The activity of the Au/Ti(x)/SBA-15 materials is found to depend on the TiOx loading, increasing with a larger amount of initially isolated TiO4 tetrahedra. Samples with initially clustered TiOx species show lower photocatalytic activities. When isolated zinc oxide (ZnOx) species are present on Ti(x)/SBA-15, gold nanoparticles are smaller and well dispersed within the pores. Agglomeration of TiOx species and the formation of Au/TiOx structures is negligible. The dispersion of gold and the formation of Au/TiOx in the SBA-15 matrix seem to depend on the mobility of the TiOx species. The mobility is determined by the initial degree of agglomeration of TiOx. Effective hydrogen evolution requires Au/TiOx coreshell composites as in Au/Ti(x)/SBA-15, whereas hydroxylation of terephthalic acid can also be performed with Au/ZnOx/TiOx/SBA-15 materials. However, isolated TiOx species have to be grafted onto the support prior to the zinc oxide species, providing strong evidence for the necessity of TiOSi bridges for high photocatalytic activity in terephthalic acid hydroxylation.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000328231400044 Publication Date (down) 2013-11-05
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2155-5435;2155-5435; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 10.614 Times cited 22 Open Access
  Notes 262348 ESMI; FWO; 246791 COUNTATOMS; IAP-PAI; Hercules Approved Most recent IF: 10.614; 2013 IF: 7.572
  Call Number UA @ lucian @ c:irua:112502 Serial 1094
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Author Lu, J.; Roeffaers, M.B.J.; Bartholomeeusen, E.; Sels, B.F.; Schryvers, D.
  Title Intergrowth of components and ramps in coffin-shaped ZSM-5 zeolite crystals unraveled by focused ion beam-assisted transmission electron microscopy Type A1 Journal article
  Year 2014 Publication Microscopy and microanalysis Abbreviated Journal Microsc Microanal
  Volume 20 Issue 1 Pages 42-49
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract Scanning electron microscopy, focused ion beam (FIB), and transmission electron microscopy are combined to study the intergrowth of 90 degrees rotational components and of ramps in coffin-shaped ZSM-5 crystals. The 90 degrees rotational boundaries with local zig-zag features between different intergrowth components are observed in the main part of crystal. Also a new kind of displacement boundary is described. At the displacement boundary there is a shift of the unit cells along the boundary without a change in orientation. Based on lamellae prepared with FIB from different positions of the ramps and crystal, the orientation relationships between ramps and the main part of the crystal are studied and the three-dimensional morphology and growth mechanism of the ramp are illustrated.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Cambridge, Mass. Editor
  Language Wos 000335378400006 Publication Date (down) 2013-11-05
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1431-9276;1435-8115; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 1.891 Times cited 7 Open Access
  Notes Approved Most recent IF: 1.891; 2014 IF: 1.877
  Call Number UA @ lucian @ c:irua:117688 Serial 1697
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Author Borovinskaya, O.; Aghaei, M.; Flamigni, L.; Hattendorf, B.; Tanner, M.; Bogaerts, A.; Günther, D.
  Title Diffusion- and velocity-driven spatial separation of analytes from single droplets entering an ICP off-axis Type A1 Journal article
  Year 2014 Publication Journal of analytical atomic spectrometry Abbreviated Journal J Anal Atom Spectrom
  Volume 29 Issue 2 Pages 262-271
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract The reproducible temporal separation of ion signals generated from a single multi-element droplet, observed in previous studies, was investigated in detail in this work using an ICPTOFMS with high temporal resolution. It was shown that the signal peak intensities of individual elements temporally shift relative to each other only for droplets moving through the plasma off-axis. The magnitude of these shifts correlated with the vaporization temperatures of the analytes and depended on the radial position of the droplets as well as on the thermal properties and velocity profiles of the carrier gases of the ICP. The occurrence of the signal shifting was explained by a spatial separation of analytes already present in the vapor phase in the ICP from a yet unvaporized residue of the droplet. This separation is most likely driven by anisotropic diffusion of vaporized analytes towards the plasma axis and a radial velocity gradient. The proposed explanation is supported by modeling of the gas velocities inside the ICP and imaging of the atomic and ionic emissions produced from single droplets, whose patterns were sloping towards the center of the torch. The effects observed in these studies are important not only for the fundamental understanding of analyteplasma interactions but have also a direct impact on the signal intensities and stability.
  Address
  Corporate Author Thesis
  Publisher Place of Publication London Editor
  Language Wos 000329934000006 Publication Date (down) 2013-11-02
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0267-9477;1364-5544; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 3.379 Times cited 18 Open Access
  Notes Approved Most recent IF: 3.379; 2014 IF: 3.466
  Call Number UA @ lucian @ c:irua:112897 Serial 697
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Author Petrovic, M.D.; Peeters, F.M.; Chaves, A.; Farias, G.A.
  Title Conductance maps of quantum rings due to a local potential perturbation Type A1 Journal article
  Year 2013 Publication Journal of physics : condensed matter Abbreviated Journal J Phys-Condens Mat
  Volume 25 Issue 49 Pages 495301-495309
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract We performed a numerical simulation of the dynamics of a Gaussian shaped wavepacket inside a small sized quantum ring, smoothly connected to two leads and exposed to a perturbing potential of a biased atomic force microscope tip. Using the Landauer formalism, we calculated conductance maps of this system in the case of single and two subband transport. We explain the main features in the conductance maps as due to the AFM tip influence on the wavepacket phase and amplitude. In the presence of an external magnetic field, the tip modifies the phi(0) periodic Aharonov-Bohm oscillation pattern into a phi(0)/2 periodic Al'tshuler-Aronov-Spivak oscillation pattern. Our results in the case of multiband transport suggest tip selectivity to higher subbands, making them more observable in the total
  Address
  Corporate Author Thesis
  Publisher Place of Publication London Editor
  Language Wos 000327181400002 Publication Date (down) 2013-11-01
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0953-8984;1361-648X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 2.649 Times cited 12 Open Access
  Notes ; This work was supported by the Methusalem programme of the Flemish government, the CNPq-FWO bilateral programme and PNPD and FUNCAP/PRONEX grants. ; Approved Most recent IF: 2.649; 2013 IF: 2.223
  Call Number UA @ lucian @ c:irua:112694 Serial 478
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Author Godoi, R.H.M.; Godoi, A.F.L.; de Quadros, L.C.; Polezer, G.; Silva, T.O.B.; Yamamoto, C.I.; Van Grieken, R.; Potgieter-Vermaak, S.
  Title Risk assessment and spatial chemical variability of PM collected at selected bus stations Type A1 Journal article
  Year 2013 Publication Air quality, atmosphere & health Abbreviated Journal
  Volume Issue Pages 1-11
  Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
  Abstract The chemical characterization of particulate matter inside and outside of confined bus shelters has been discerned for the first time. Transit patrons are at risk due to the close vicinity of densely trafficked areas resulting in elevated pollution footprints. Incomplete combustion processes, as well as exhaust and wear and tear emissions from public and personal transportation vehicles, are key contributors to degraded urban air quality and are often implicated as causal to various diseases in humans. Urban planning, therefore, includes efficient public transport systems to mitigate the effect. The bus rapid transit system was inaugurated in Curitiba to ensure dedicated traffic lanes, major bus interchanges and semi-confined bus stops called tube stations. To assess the chemical risk that the passengers are exposed to, an investigation of the aerosol inside and outside five of these tube stations was launched. Electron probe X-ray micro-analysis and X-ray fluorescence were used to determine the elemental composition of individual and of bulk particle samples. An aethalometer quantified the black carbon. Elemental concentrations inside the shelters were in general higher than outside, especially for traffic-related elements. The lead concentration exceeded the NAAS standard at times, although the average was below the guideline. The biogenic, organic and soot clusters showed the highest abundance for the city centre sites. The overall carcinogenic risk could be classed as moderate, and the risk was significant at two sites during one of the sampling campaigns. The non-carcinogenic risk is well below the significant value.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000328332500006 Publication Date (down) 2013-11-01
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1873-9318 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:111086 Serial 8484
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Author Smits, M.; Huygh, D.; Craeye, B.; Lenaerts, S.
  Title Effect of process parameters on the photocatalytic soot degradation on self-cleaning cementitious materials Type A1 Journal article
  Year 2014 Publication Catalysis today Abbreviated Journal Catal Today
  Volume 230 Issue Pages 250-255
  Keywords A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL); Energy and Materials in Infrastructure and Buildings (EMIB)
  Abstract Soot deposition has the negative ability to devalue the aesthetic appearance of buildings. Titanium dioxide applied on the building material is one way to counteract this problem as it provides air-purifying and self-cleaning properties due to its photocatalytic activity. In literature, photocatalytic soot oxidation was described, but until now, little information was available about the influence of process parameters on the photocatalytic degradation efficiency. The influence of three process parameters was tested in this study, namely TiO2 concentration, soot concentration and water-to-cement ratio (WIC-ratio) of the mortar substrates. The results revealed 50 mu gTiO(2) cm(-2) is better to use on the cementitious materials than 250 mu gTiO(2) cm(-2). The soot concentrations occurring in real-world situations will not inhibit the photocatalyst to be activated by light. Furthermore, the photonic efficiency increases slightly for lower WIC-ratios. This can be of interest for structural building applications, since a lower WIC-ratio results in a lower porosity of the samples and consequently in an increase in mortar strength. (C) 2013 Elsevier B.V. All rights reserved.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000333800300039 Publication Date (down) 2013-10-31
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0920-5861 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 4.636 Times cited 14 Open Access
  Notes ; This work was supported by a PhD grant (M. Smits) from the University of Antwerp. We would like to thank T. Tytgat for the scientific discussion and Evonik for delivering the materials used in the experiments. ; Approved Most recent IF: 4.636; 2014 IF: 3.893
  Call Number UA @ admin @ c:irua:117142 Serial 5946
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Author Berdiyorov, G.R.; Savel'ev, S.E.; Kusmartsev, F.V.; Peeters, F.M.
  Title In-phase motion of Josephson vortices in stacked SNS Josephson junctions : effect of ordered pinning Type A1 Journal article
  Year 2013 Publication Superconductor science and technology Abbreviated Journal Supercond Sci Tech
  Volume 26 Issue 12 Pages 125010-125016
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract The dynamics of Josephson vortices (fluxons) in artificial stacks of superconducting-normal-superconducting Josephson junctions is investigated using the anisotropic time-dependent Ginzburg-Landau theory in the presence of a square/rectangular array of pinning centers (holes). For small values of the applied drive, fluxons in different junctions move out of phase, forming a periodic triangular lattice. A rectangular lattice of moving fluxons is observed at larger currents, which is in agreement with previous theoretical predictions (Koshelev and Aranson 2000 Phys. Rev. Lett. 85 3938). This 'superradiant' flux-flow state is found to be stable in a wide region of applied current. The stability range of this ordered state is considerably larger than the one obtained for the pinning-free sample. Clear commensurability features are observed in the current-voltage characteristics of the system with pronounced peaks in the critical current at (fractional) matching fields. The effect of density and strength of the pinning centers on the stability of the rectangular fluxon lattice is discussed. Predicted synchronized motion of fluxons in the presence of ordered pinning can be detected experimentally using the rf response of the system, where enhancement of the Shapiro-like steps is expected due to the synchronization.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Bristol Editor
  Language Wos 000327447200013 Publication Date (down) 2013-10-29
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0953-2048;1361-6668; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 2.878 Times cited 5 Open Access
  Notes ; This work was supported by EU Marie Curie (Project No: 253057) and by the Flemish Science Foundation (FWO-Vl). ; Approved Most recent IF: 2.878; 2013 IF: 2.796
  Call Number UA @ lucian @ c:irua:112834 Serial 1573
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Author Shariat, M.; Shokri, B.; Neyts, E.C.
  Title On the low-temperature growth mechanism of single walled carbon nanotubes in plasma enhanced chemical vapor deposition Type A1 Journal article
  Year 2013 Publication Chemical physics letters Abbreviated Journal Chem Phys Lett
  Volume 590 Issue Pages 131-135
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract Despite significant progress in single walled carbon nanotube (SWCNT) production by plasma enhanced chemical vapor deposition (PECVD), the growth mechanism in this method is not clearly understood. We employ reactive molecular dynamics simulations to investigate how plasma-based deposition allows growth at low temperature. We first investigate the SWCNT growth mechanism at low and high temperatures under conditions similar to thermal CVD and PECVD. We then show how ion bombardment during the nucleation stage increases the carbon solubility in the catalyst at low temperature. Finally, we demonstrate how moderate energy ions sputter amorphous carbon allowing for SWCNT growth at 500 K. (C) 2013 Elsevier B. V. All rights reserved.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Amsterdam Editor
  Language Wos 000327721000024 Publication Date (down) 2013-10-27
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0009-2614; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 1.815 Times cited 14 Open Access
  Notes Approved Most recent IF: 1.815; 2013 IF: 1.991
  Call Number UA @ lucian @ c:irua:112775 Serial 2439
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Author Tian, H.; Verbeeck, J.; Brück, S.; Paul, M.; Kufer, D.; Sing, M.; Claessen, R.; Van Tendeloo, G.
  Title Interface-induced modulation of charge and polarization in thin film Fe3O4 Type A1 Journal article
  Year 2014 Publication Advanced materials Abbreviated Journal Adv Mater
  Volume 26 Issue 3 Pages 461-465
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
  Abstract Charge and polarization modulations in Fe3O4 are controlled by taking advantage of interfacial strain effects. The feasibility of oxidation state control by strain modification is demonstrated and it is shown that this approach offers a stable configuration at room temperature. Direct evidence of how a local strain field changes the atomic coordination and introduces atomic displacements leading to polarization of Fe ions is presented.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Weinheim Editor
  Language Wos 000334289300011 Publication Date (down) 2013-10-25
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0935-9648; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 19.791 Times cited 15 Open Access
  Notes Vortex; FWO; Countatoms; Hercules ECASJO_; Approved Most recent IF: 19.791; 2014 IF: 17.493
  Call Number UA @ lucian @ c:irua:112419UA @ admin @ c:irua:112419 Serial 1694
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Author Snoeckx, R.; Setareh, M.; Aerts, R.; Simon, P.; Maghari, A.; Bogaerts, A.
  Title Influence of N2 concentration in a CH4/N2 dielectric barrier discharge used for CH4 conversion into H2 Type A1 Journal article
  Year 2013 Publication International journal of hydrogen energy Abbreviated Journal Int J Hydrogen Energ
  Volume 38 Issue 36 Pages 16098-16120
  Keywords A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract We present a combined study of experimental and computational work for a dielectric barrier discharge (DBD) used for CH4 conversion into H2. More specifically, we investigated the influence of N2 as an impurity (150,000 ppm) and as additive gas (199%) on the CH4 conversion and H2 yield. For this purpose, a zero-dimensional chemical kinetics model is applied to study the plasma chemistry. The calculated conversions and yields for various gas mixing ratios are compared to the obtained experimental values, and good agreement is achieved. The study reveals the significance of the View the MathML source and View the MathML source metastable states for the CH4 conversion into H2, based on a kinetic analysis of the reaction chemistry.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Oxford Editor
  Language Wos 000327904500027 Publication Date (down) 2013-10-23
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0360-3199; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 3.582 Times cited 40 Open Access
  Notes Approved Most recent IF: 3.582; 2013 IF: 2.930
  Call Number UA @ lucian @ c:irua:111372 Serial 1642
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Author Krstajie, P.M.; Peeters, F.M.
  Title Energy-momentum dispersion relation of plasmarons in bilayer graphene Type A1 Journal article
  Year 2013 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
  Volume 88 Issue 16 Pages 165420-165424
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract The relation between the energy and momentum of plasmarons in bilayer graphene is investigated within the Overhauser approach, where the electron-plasmon interaction is described as a field theoretical problem. We find that the Dirac-like spectrum is shifted by Delta E(k) similar to 100 divided by 150 meV depending on the electron concentration n(e) and electron momentum. The shift increases with electron concentration as the energy of plasmons becomes larger. The dispersion of plasmarons is more pronounced than in the case of single layer graphene, which is explained by the fact that the energy dispersion of electrons is quadratic and not linear. We expect that these predictions can be verified using angle-resolved photoemission spectroscopy (ARPES).
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000326089400004 Publication Date (down) 2013-10-22
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 3.836 Times cited 3 Open Access
  Notes ; This work was supported by the Flemish Science Foundation (FWO-Vl), the ESF-EuroGRAPHENE project CON-GRAN, and by the Serbian Ministry of Education and Science, within the Project No. TR 32008. ; Approved Most recent IF: 3.836; 2013 IF: 3.664
  Call Number UA @ lucian @ c:irua:112224 Serial 1042
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Author Rodríguez-Fernández, D.; Altantzis, T.; Heidari, H.; Bals, S.; Liz-Marzan, L.M.
  Title A protecting group approach toward synthesis of Au-silica Janus nanostars Type A1 Journal article
  Year 2014 Publication Chemical communications Abbreviated Journal Chem Commun
  Volume 50 Issue 1 Pages 79-81
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract The concept of protecting groups, widely used in organic chemistry, has been applied for the synthesis of Au-silica Janus stars, in which gold branches protrude from one half of Au-silica Janus spheres. This configuration opens up new possibilities to apply the plasmonic properties of gold nanostars, as well as a variety of chemical functionalizations on the silica component.
  Address
  Corporate Author Thesis
  Publisher Place of Publication London Editor
  Language Wos 000327606000017 Publication Date (down) 2013-10-22
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1359-7345;1364-548X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 6.319 Times cited 26 Open Access OpenAccess
  Notes 262348 Esmi; 335078 Colouratom; 267867 Plasmaquo; ECAS_Sara; (ROMEO:yellow; preprint:; postprint:restricted ; pdfversion:cannot); Approved Most recent IF: 6.319; 2014 IF: 6.834
  Call Number UA @ lucian @ c:irua:112774 Serial 2732
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Author Retuerto, M.; Li, M.R.; Ignatov, A.; Croft, M.; Ramanujachary, K.V.; Chi, S.; Hodges, J.P.; Dachraoui, W.; Hadermann, J.; Tran, T.T.; Halasyamani, P.S.; Grams, C.P.; Hemberger, J.; Greenblatt, M.;
  Title Polar and magnetic layered A-site and rock salt B-site-ordered NaLnFeWO6 (Ln = La, Nd) perovskites Type A1 Journal article
  Year 2013 Publication Inorganic chemistry Abbreviated Journal Inorg Chem
  Volume 52 Issue 21 Pages 12482-12491
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract We have expanded the double perovskite family of materials with the unusual combination of layered order in the A sublattice and rock salt order over the B sublattice to compounds NaLaFeWO6 and NaNdFeWO6. The materials have been synthesized and studied by powder X-ray diffraction, neutron diffraction, electron diffraction, magnetic measurements, X-ray absorption spectroscopy, dielectric measurements, and second harmonic generation. At room temperature, the crystal structures of both compounds can be defined in the noncentrosymmetric monoclinic P2(1) space group resulting from the combination of ordering both in the A and B sublattices, the distortion of the cell due to tilting of the octahedra, and the displacement of certain cations. The magnetic studies show that both compounds are ordered antiferromagnetically below T-N approximate to 25 K for NaLaFeWO6 and at similar to 21 K for NaNdFeWO6. The magnetic structure of NaNdFeWO6 has been solved with a propagation vector k = (1/2 0 1/2) as an antiferromagnetic arrangement of Fe and Nd moments. Although the samples are potential multiferroics, the dielectric measurements do not show a ferroelectric response.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Easton, Pa Editor
  Language Wos 000326669200035 Publication Date (down) 2013-10-18
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0020-1669;1520-510X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 4.857 Times cited 17 Open Access
  Notes Approved Most recent IF: 4.857; 2013 IF: 4.794
  Call Number UA @ lucian @ c:irua:112714 Serial 2656
Permanent link to this record
 

 
Author Damm, H.; Kelchtermans, A.; Bertha, A.; Van den Broeck, F.; Elen, K.; Martins, J.C.; Carleer, R.; D'Haen, J.; De Dobbelaere, C.; Hadermann, J.; Hardy, A.; Van Bael, M.K.;
  Title Thermal decomposition synthesis of Al-doped ZnO nanoparticles : an in-depth study Type A1 Journal article
  Year 2013 Publication RSC advances Abbreviated Journal Rsc Adv
  Volume 3 Issue 45 Pages 23745-23754
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract Al-doped ZnO nanoparticles are synthesized by means of a heating up solution based thermal decomposition method. The synthesis involves a reaction of zinc acetylacetonate hydrate, aluminium acetylacetonate and 1,2-hexadecanediol in the presence of oleic acid and oleyl amine. A proposed reaction mechanism from reagents to monomers is corroborated by analysis of the evolving gases using headspace GC-MS analysis. The Al-doped ZnO nanoparticles synthesized are dynamically stabilized by adsorbed oleate ions, after deprotonation of oleic acid by oleyl amine, as was found by NOESY proton NMR and complementary FTIR spectroscopy. Precession electron diffraction shows a simultaneous increase in lattice parameters with Al concentration. This, together with HAADF-STEM and EDX maps, indicates the incorporation of Al into the ZnO nanoparticles. By the combination of complementary characterization methods during all stages of the synthesis, it is concluded that Al is incorporated into the ZnO wurtzite lattice as a dopant.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000326395800139 Publication Date (down) 2013-10-18
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2046-2069; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 3.108 Times cited 10 Open Access
  Notes Approved Most recent IF: 3.108; 2013 IF: 3.708
  Call Number UA @ lucian @ c:irua:112753 Serial 3627
Permanent link to this record
 

 
Author Niermann, T.; Verbeeck, J.; Lehmann, M.
  Title Creating arrays of electron vortices Type A1 Journal article
  Year 2014 Publication Ultramicroscopy Abbreviated Journal Ultramicroscopy
  Volume 136 Issue Pages 165-170
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract We demonstrate the production of an ordered array of electron vortices making use of an electron optical setup consisting of two electrostatic biprisms. The biprism filaments are oriented nearly orthogonal with respect to each other in a transmission electron microscope. Matching the position of the filaments, we can choose to form different topological features in the electron wave. We outline the working principle of the setup and demonstrate fist experimental results. This setup partially bridges the gap between angular momentum carried by electron spin, which is intrinsic and therefore present in any position of the wave, and angular momentum carried by the vortex character of the wave, which can be extrinsic depending on the axis around which it is measured. (C) 2013 Elsevier B.V. All rights reserved.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Amsterdam Editor
  Language Wos 000327884700021 Publication Date (down) 2013-10-15
  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 9 Open Access
  Notes FP7; Countatoms; Vortex ECASJO_; Approved Most recent IF: 2.843; 2014 IF: 2.436
  Call Number UA @ lucian @ c:irua:112837UA @ admin @ c:irua:112837 Serial 538
Permanent link to this record
 

 
Author Geukens, I.; Vermoortele, F.; Meledina, M.; Turner, S.; Van Tendeloo, G.; De Vos, D.E.
  Title Ag nanoparticles on mixed Al2O3-Ga2O3 supports as catalysts for the N-alkylation of amines with alcohols Type A1 Journal article
  Year 2014 Publication Applied catalysis : A : general Abbreviated Journal Appl Catal A-Gen
  Volume 469 Issue Pages 373-379
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract The combination of AgNO3 with NaH results in Ag nanoparticles that can selectively perform alcohol aminations under mild reaction conditions (110 °C). NaH not only serves as a reducing agent for the Ag salt, but also activates the alcohol for dehydrogenation to the corresponding ketone/aldehyde. The stability of the particles can be improved by immobilizing them onto mixed Al2O3Ga2O3 supports; the combination of Ga and Al provides materials with stronger Lewis acidic sites compared to pure alumina or gallium oxide supports. This leads to catalysts with enhanced activities, without the necessity of adding external Lewis acids. Detailed TEM characterization also reveals a close interaction between the Ag NPs and the gallium oxide phase. The obtained catalysts are recyclable and show activity for the alcohol amination using a variety of aliphatic and aromatic amines under mild conditions.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Amsterdam Editor
  Language Wos 000329266500045 Publication Date (down) 2013-10-10
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0926-860X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 4.339 Times cited 24 Open Access
  Notes Approved Most recent IF: 4.339; 2014 IF: 3.942
  Call Number UA @ lucian @ c:irua:111095 Serial 83
Permanent link to this record
 

 
Author Gou, H.; Dubrovinskaia, N.; Bykova, E.; Tsirlin, A.A.; Kasinathan, D.; Schnelle, W.; Richter, A.; Merlini, M.; Hanfland, M.; Abakumov, A.M.; Batuk, D.; Van Tendeloo, G.; Nakajima, Y.; Kolmogorov, A.N.; Dubrovinsky, L.;
  Title Discovery of a superhard iron tetraboride superconductor Type A1 Journal article
  Year 2013 Publication Physical review letters Abbreviated Journal Phys Rev Lett
  Volume 111 Issue 15 Pages 157002-157005
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract Single crystals of novel orthorhombic (space group Pnnm) iron tetraboride FeB4 were synthesized at pressures above 8 GPa and high temperatures. Magnetic susceptibility and heat capacity measurements demonstrate bulk superconductivity below 2.9 K. The putative isotope effect on the superconducting critical temperature and the analysis of specific heat data indicate that the superconductivity in FeB4 is likely phonon mediated, which is rare for Fe-based superconductors. The discovered iron tetraboride is highly incompressible and has the nanoindentation hardness of 62(5) GPa; thus, it opens a new class of highly desirable materials combining advanced mechanical properties and superconductivity.
  Address
  Corporate Author Thesis
  Publisher Place of Publication New York, N.Y. Editor
  Language Wos 000325371500011 Publication Date (down) 2013-10-09
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0031-9007;1079-7114; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 8.462 Times cited 127 Open Access
  Notes Countatoms Approved Most recent IF: 8.462; 2013 IF: 7.728
  Call Number UA @ lucian @ c:irua:110820 Serial 729
Permanent link to this record
 

 
Author Zhang, L.-F.; Covaci, L.; Milošević, M.V.; Berdiyorov, G.R.; Peeters, F.M.
  Title Vortex states in nanoscale superconducting squares : the influence of quantum confinement Type A1 Journal article
  Year 2013 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
  Volume 88 Issue 14 Pages 144501
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract Bogoliubov-de Gennes theory is used to investigate the effect of the size of a superconducting square on the vortex states in the quantum confinement regime. When the superconducting coherence length is comparable to the Fermi wavelength, the shape resonances of the superconducting order parameter have strong influence on the vortex configuration. Several unconventional vortex states, including asymmetric ones, giant-multivortex combinations, and states comprising giant antivortices, were found as ground states and their stability was found to be very sensitive on the value of k(F)xi(0), the size of the sample W, and the magnetic flux Phi. By increasing the temperature and/or enlarging the size of the sample, quantum confinement is suppressed and the conventional mesoscopic vortex states as predicted by the Ginzburg-Laudau (GL) theory are recovered. However, contrary to the GL results we found that the states containing symmetry-induced vortex-antivortex pairs are stable over the whole temperature range. It turns out that the inhomogeneous order parameter induced by quantum confinement favors vortex-antivortex molecules, as well as giant vortices with a rich structure in the vortex core-unattainable in the GL domain.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000325498300004 Publication Date (down) 2013-10-09
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 3.836 Times cited 19 Open Access
  Notes ; This work was supported by the Flemish Science Foundation (FWO-Vlaanderen) and Methusalem Funding of the Flemish government. ; Approved Most recent IF: 3.836; 2013 IF: 3.664
  Call Number UA @ lucian @ c:irua:111145 Serial 3891
Permanent link to this record
 

 
Author Filippousi, M.; Altantzis, T.; Stefanou, G.; Betsiou, M.; Bikiaris, D.N.; Angelakeris, M.; Pavlidou, E.; Zamboulis, D.; Van Tendeloo, G.
  Title Polyhedral iron oxide coreshell nanoparticles in a biodegradable polymeric matrix : preparation, characterization and application in magnetic particle hyperthermia and drug delivery Type A1 Journal article
  Year 2013 Publication RSC advances Abbreviated Journal Rsc Adv
  Volume 3 Issue 46 Pages 24367-24377
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract Polyhedral magnetic iron oxide nanocrystals with multiple facets have been embedded in biocompatible and biodegradable polymeric matrices in order to study their structural, magnetic features and alternating-current (AC) magnetic heating efficiency. The encapsulation of iron oxide nanoparticles into a polymer matrix was confirmed by transmission electron microscopy and further corroborated by high angle annular dark field scanning transmission electron microscopy (HAADF-STEM). HAADF-STEM tomography proved that the iron oxide nanocrystals consist of well-defined polyhedral structures with multiple facets. The magnetic features were found to be in good agreement with the structural and morphological features and are maintained even after encapsulation. Furthermore, the magnetic nanoparticles inside these matrices may be considered as good candidates for biomedical applications in hyperthermia treatments because of their high heating capacity exhibited under an alternating magnetic field. The anticancer Taxol drug was encapsulated in these nanoparticles and its physical state and release rate at 37 and 42 °C was studied.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000326745100068 Publication Date (down) 2013-10-07
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2046-2069; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 3.108 Times cited 19 Open Access
  Notes Countatoms; IAP Approved Most recent IF: 3.108; 2013 IF: 3.708
  Call Number UA @ lucian @ c:irua:111395 Serial 2671
Permanent link to this record
 

 
Author Marikutsa, A.V.; Rumyantseva, M.N.; Frolov, D.D.; Morozov, I.V.; Boltalin, A.I.; Fedorova, A.A.; Petukhov, I.A.; Yashina, L.V.; Konstantinova, E.A.; Sadovskaya, E.M.; Abakumov, A.M.; Zubavichus, Y.V.; Gaskov, A.M.;
  Title Role of PdOx and RuOy clusters in oxygen exchange between nanocrystalline tin dioxide and the gas phase Type A1 Journal article
  Year 2013 Publication The journal of physical chemistry: C : nanomaterials and interfaces Abbreviated Journal J Phys Chem C
  Volume 117 Issue 45 Pages 23858-23867
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
  Abstract The effect of palladium- and ruthenium-based clusters on nanocrystalline tin dioxide interaction with oxygen was studied by temperature-programmed oxygen isotopic exchange with mass-spectrometry detection. The modification of aqueous sol-gel prepared SnO2 by palladium and, to a larger extent, by ruthenium, increases surface oxygen concentration on the materials. The revealed effects on oxygen exchange-lowering the threshold temperature, separation of surface oxygen contribution to the process, increase of heteroexchange rate and oxygen diffusion coefficient, decrease of activation energies of exchange and diffusion-were more intensive for Ru-modified SnO2 than in the case of SnO2/Pd. The superior promoting activity of ruthenium on tin dioxide interaction with oxygen was interpreted by favoring the dissociative O-2 adsorption and increasing the oxygen mobility, taking into account the structure and chemical composition of the modifier clusters.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Washington, D.C. Editor
  Language Wos 000327110500046 Publication Date (down) 2013-10-04
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1932-7447;1932-7455; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 4.536 Times cited 20 Open Access
  Notes Approved Most recent IF: 4.536; 2013 IF: 4.835
  Call Number UA @ lucian @ c:irua:112706 Serial 2924
Permanent link to this record
 

 
Author Seyed-Talebi, S.M.; Beheshtian, J.; Neek-Amal, M.
  Title Doping effect on the adsorption of NH3 molecule onto graphene quantum dot : from the physisorption to the chemisorption Type A1 Journal article
  Year 2013 Publication Journal of applied physics Abbreviated Journal J Appl Phys
  Volume 114 Issue 12 Pages 124307-7
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract The adsorption of ammonia molecule onto a graphene hexagonal flake, aluminum (Al) and boron (B) doped graphene flakes (graphene quantum dots, GQDs) are investigated using density functional theory. We found that NH3 molecule is absorbed to the hollow site through the physisorption mechanism without altering the electronic properties of GQD. However, the adsorption energy of NH3 molecule onto the Al- and B-doped GQDs increases with respect GQD resulting chemisorption. The adsorption of NH3 onto the Al-doped and B-doped GQDs makes graphene locally buckled, i.e., B-doped and Al-doped GQDs are not planar. The adsorption mechanism onto a GQD is different than that of graphene. This study reveals important features of the edge passivation and doping effects of the adsorption mechanism of external molecules onto the graphene quantum dots. (C) 2013 AIP Publishing LLC.
  Address
  Corporate Author Thesis
  Publisher American Institute of Physics Place of Publication New York, N.Y. Editor
  Language Wos 000325391100057 Publication Date (down) 2013-09-26
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0021-8979; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 2.068 Times cited 10 Open Access
  Notes ; This work was supported by the EU-Marie Curie IIF Fellowship/299855 for M.-N.A. ; Approved Most recent IF: 2.068; 2013 IF: 2.185
  Call Number UA @ lucian @ c:irua:112201 Serial 750
Permanent link to this record
 

 
Author Neek-Amal, M.; Covaci, L.; Shakouri, K.; Peeters, F.M.
  Title Electronic structure of a hexagonal graphene flake subjected to triaxial stress Type A1 Journal article
  Year 2013 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
  Volume 88 Issue 11 Pages 115428
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract The electronic properties of a triaxially strained hexagonal graphene flake with either armchair or zigzag edges are investigated using molecular dynamics simulations and tight-binding calculations. We found that (i) the pseudomagnetic field in strained graphene flakes is not uniform neither in the center nor at the edge of zigzag terminated flakes, (ii) the pseudomagnetic field is almost zero in the center of armchair terminated flakes but increases dramatically near the edges, (iii) the pseudomagnetic field increases linearly with strain, for strains lower than 15% but increases nonlinearly beyond it, (iv) the local density of states in the center of the zigzag hexagon exhibits pseudo-Landau levels with broken sublattice symmetry in the zeroth pseudo-Landau level, and in addition there is a shift in the Dirac cone due to strain induced scalar potentials, and (v) there is size effect in pseudomagnetic field. This study provides a realistic model of the electronic properties of inhomogeneously strained graphene where the relaxation of the atomic positions is correctly included together with strain induced modifications of the hopping terms up to next-nearest neighbors.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000324690400008 Publication Date (down) 2013-09-24
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 3.836 Times cited 46 Open Access
  Notes ; This work was supported by the EU-Marie Curie IIF postdoctoral Fellowship/ 299855 (for M.N.-A.), the ESF EuroGRAPHENE project CONGRAN, the Flemish Science Foundation (FWO-Vl) and the Methusalem Funding of the Flemish government. ; Approved Most recent IF: 3.836; 2013 IF: 3.664
  Call Number UA @ lucian @ c:irua:111168 Serial 1011
Permanent link to this record
 

 
Author Morozov, V.A.; Bertha, A.; Meert, K.W.; Van Rompaey, S.; Batuk, D.; Martinez, G.T.; Van Aert, S.; Smet, P.F.; Raskina, M.V.; Poelman, D.; Abakumov, A.M.; Hadermann, J.;
  Title Incommensurate modulation and luminescence in the CaGd2(1-x)Eu2x(MoO4)4(1-y)(WO)4y (0\leq x\leq1, 0\leq y\leq1) red phosphors Type A1 Journal article
  Year 2013 Publication Chemistry of materials Abbreviated Journal Chem Mater
  Volume 25 Issue 21 Pages 4387-4395
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract Scheelite related compounds (A',A '') [(B',B '')O-4], with B', B '' = W and/or Mo are promising new light-emitting materials for photonic applications, including phosphor converted LEDs (light-emitting diodes). In this paper, the creation and ordering of A-cation vacancies and the effect of cation substitutions in the scheelite-type framework are investigated as a factor for controlling the scheelite-type structure and luminescent properties. CaGd2(1-x)Eu2x(MoO4)(4(1-y))(WO4)(4y) (0 <= x <= 1, 0 <= y <= 1) solid solutions with scheelite-type structure were synthesized by a solid state method, and their structures were investigated using a combination of transmission electron microscopy techniques and powder X-ray diffraction. Within this series all complex molybdenum oxides have (3 + 2)D incommensurately modulated structures with superspace group I4(1)/a(alpha,beta,0)00(-beta,alpha,0)00, while the structures of all tungstates are (3 + 1)D incommensurately modulated with superspace group I2/b(alpha beta 0)00. In both cases the modulation arises because of cation-vacancy ordering at the A site. The prominent structural motif is formed by columns of A-site vacancies running along the c-axis. These vacant columns occur in rows of two or three aligned along the [110] direction of the scheelite subcell. The replacement of the smaller Gd3+ by the larger Eu3+ at the A-sublattice does not affect the nature of the incommensurate modulation, but an increasing replacement of Mo6+ by W6+ switches the modulation from (3 + 2)D to (3 + 1)D regime. Thus, these solid solutions can be considered as a model system where the incommensurate modulation can be monitored as a function of cation nature while the number of cation vacancies at the A sites remain constant upon the isovalent cation replacement. All compounds' luminescent properties were measured, and the optical properties were related to the structural properties of the materials. CaGd2(1-x)(MoO4)(4(1-y))(WO4)(4y) phosphors emit intense red light dominated by the D-5(0)-F-7(2) transition at 612 nm, along with other transitions from the D-5(1) and D-5(0) excited states. The intensity of the 5D0-7F2 transition reaches a maximum at x = 0.5 for y = 0 and 1.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Washington, D.C. Editor
  Language Wos 000327045000030 Publication Date (down) 2013-09-24
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0897-4756;1520-5002; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 9.466 Times cited 63 Open Access
  Notes Approved Most recent IF: 9.466; 2013 IF: 8.535
  Call Number UA @ lucian @ c:irua:112776 Serial 1594
Permanent link to this record
 

 
Author Dabaghmanesh, S.; Saniz, R.; Amini, M.N.; Lamoen, D.; Partoens, B.
  Title Perovskite transparent conducting oxides : an ab initio study Type A1 Journal article
  Year 2013 Publication Journal of physics : condensed matter Abbreviated Journal J Phys-Condens Mat
  Volume 25 Issue 41 Pages 415503
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract We present an ab initio study of the electronic structure and of the formation energies of various point defects in BaSnO3 and SrGeO3. We show that La and Y impurities substituting Ba or Sr are shallow donors with a preferred 1 + charge state. These defects have a low formation energy within all the suitable equilibrium growth conditions considered. Oxygen vacancies behave as shallow donors as well, preferring the 2 + charge state. Their formation energies, however, are higher in most growth conditions, indicating a limited contribution to conductivity. The calculated electron effective mass in BaSnO3, with a value of 0.21 me, and the very high mobility reported recently in La-doped BaSnO3 single-crystals, suggest that remarkably low scattering rates can be achieved in the latter. In the case of SrGeO3, our results point to carrier density and mobility values in the low range for typical polycrystalline TCOs, in line with experiment.
  Address
  Corporate Author Thesis
  Publisher Place of Publication London Editor
  Language Wos 000324920400011 Publication Date (down) 2013-09-24
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0953-8984;1361-648X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 2.649 Times cited 17 Open Access
  Notes FWO;Hercules Approved Most recent IF: 2.649; 2013 IF: 2.223
  Call Number UA @ lucian @ c:irua:110495 Serial 2574
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Author Komendová, L.; Milošević, M.V.; Peeters, F.M.
  Title Soft vortex matter in a type-I/type-II superconducting bilayer Type A1 Journal article
  Year 2013 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
  Volume 88 Issue 9 Pages 094515
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract Magnetic flux patterns are known to strongly differ in the intermediate state of type-I and type-II superconductors. Using a type-I/type-II bilayer we demonstrate hybridization of these flux phases into a plethora of unique new ones. Owing to a complicated multibody interaction between individual fluxoids, many different intriguing patterns are possible under applied magnetic field, such as few-vortex clusters, vortex chains, mazes, or labyrinthal structures resembling the phenomena readily encountered in soft-matter physics. However, in our system the patterns are tunable by sample parameters, magnetic field, current, and temperature, which reveals transitions from short-range clustering to long-range ordered phases such as parallel chains, gels, glasses, and crystalline vortex lattices, or phases where lamellar type-I flux domains in one layer serve as a bedding potential for type-II vortices in the other, configurations clearly beyond the soft-matter analogy.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000324689900008 Publication Date (down) 2013-09-24
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 3.836 Times cited 27 Open Access
  Notes ; This work was supported by the Flemish Science Foundation (FWO-Vl). Insightful discussions with Arkady Shanenko and Edith Cristina Euan Diaz are gratefully acknowledged. ; Approved Most recent IF: 3.836; 2013 IF: 3.664
  Call Number UA @ lucian @ c:irua:111167 Serial 3050
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Author Retuerto, M.; Emge, T.; Hadermann, J.; Stephens, P.W.; Li, M.R.; Yin, Z.P.; Croft, M.; Ignatov, A.; Zhang, S.J.; Yuan, Z.; Jin, C.; Simonson, J.W.; Aronson, M.C.; Pan, A.; Basov, D.N.; Kotliar, G.; Greenblatt, M.;
  Title Synthesis and properties of charge-ordered thallium halide perovskites, CsTl0.5+Tl0.53+X3 (X = F or Cl) : theoretical precursors for superconductivity? Type A1 Journal article
  Year 2013 Publication Chemistry of materials Abbreviated Journal Chem Mater
  Volume 25 Issue 20 Pages 4071-4079
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract Recently, CsTlCl3 and CsTlF3 perovskites were theoretically predicted to be potential superconductors if they were optimally doped. The syntheses of these two compounds together with a complete characterization of the samples are reported. CsTlCl3 was obtained as orange crystals in two different polymorphs: a tetragonal phase (I4/m) and a cubic phase (Fm (3) over barm). CsTlF3 was formed as a light brown powder, and also as a double cubic perovskite (Fm (3) over barm). In all three CsTlX3 phases, Tl+ and Tl3+ were located in two different crystallographic positions that accommodate their different bond lengths. In CsTlCl3, some Tl vacancies were found in the Tl+ position. The charge ordering between Tl+ and Tl3+ was confirmed by X-ray absorption and Raman spectroscopy. The Raman spectroscopy of CsTlCl3 at high pressure (58 GPa) did not indicate any phase transition to a possible single Tl2+ state. However, the highly insulating material became less resistive with an increasing high pressure, while it underwent a change in its optical properties, from transparent to deeply opaque red, indicative of a decrease in the magnitude of the band gap. The theoretical design and experimental validation of the existence of CsTlF3 and CsTlCl3 cubic perovskites are the necessary first steps in confirming the theoretical prediction of superconductivity in these materials.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Washington, D.C. Editor
  Language Wos 000326209200017 Publication Date (down) 2013-09-18
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0897-4756;1520-5002; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 9.466 Times cited 28 Open Access
  Notes Approved Most recent IF: 9.466; 2013 IF: 8.535
  Call Number UA @ lucian @ c:irua:112248 Serial 3434
Permanent link to this record
 

 
Author Houssa, M.; van den Broek, B.; Scalise, E.; Ealet, B.; Pourtois, G.; Chiappe, D.; Cinquanta, E.; Grazianetti, C.; Fanciulli, M.; Molle, A.; Afanas’ev, V.V.; Stesmans, A.;
  Title Theoretical aspects of graphene-like group IV semiconductors Type A1 Journal article
  Year 2014 Publication Applied surface science Abbreviated Journal Appl Surf Sci
  Volume 291 Issue Pages 98-103
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract Silicene and germanene are the silicon and germanium counterparts of graphene, respectively. Recent experimental works have reported the growth of silicene on (1 1 1)Ag surfaces with different atomic configurations, depending on the growth temperature and surface coverage. We first theoretically study the structural and electronic properties of silicene on (1 1 1) Ag surfaces, focusing on the (4 x 4) silicene/Ag structure. Due to symmetry breaking in the silicene layer (nonequivalent number of top and bottom Si atoms), the corrugated silicene layer, with the Ag substrate removed, is predicted to be semiconducting, with a computed energy bandgap of about 0.3 eV. However, the hybridization between the Si 3p orbitals and the Ag 5s orbital in the silicene/(1 1 1)Ag slab model leads to an overall metallic system, with a distribution of local electronic density of states, which is related to the slightly disordered structure of the silicene layer on the (1 1 1)Ag surface. We next study the interaction of silicene and germanene with different hexagonal non-metallic substrates, namely ZnS and ZnSe. On reconstructed (0 0 0 1)ZnS or ZnSe surfaces, which should be more energetically stable for very thin layers, silicene and germanene are found to be semiconducting. Remarkably, the nature and magnitude of their energy bandgap can be controlled by an out-of-plane electric field, an important finding for the potential use of these materials in nanoelectronic devices. (C) 2013 Elsevier B. V. All rights reserved.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Amsterdam Editor
  Language Wos 000329327700022 Publication Date (down) 2013-09-18
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0169-4332; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 3.387 Times cited 20 Open Access
  Notes Approved Most recent IF: 3.387; 2014 IF: 2.711
  Call Number UA @ lucian @ c:irua:113765 Serial 3603
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