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Author Sobrino Fernández, M.
  Title Confinement induced assembly of anisotropic particles : patchy colloids and water molecules Type Doctoral thesis
  Year 2016 Publication Abbreviated Journal
  Volume (up) Issue Pages
  Keywords Doctoral thesis; Condensed Matter Theory (CMT)
  Abstract
  Address
  Corporate Author Thesis
  Publisher Place of Publication Antwerpen Editor
  Language Wos Publication Date
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN ISBN Additional Links UA library record
  Impact Factor Times cited Open Access
  Notes Approved Most recent IF: NA
  Call Number UA @ lucian @ c:irua:135841 Serial 4349
Permanent link to this record
 

 
Author Van de Put, M.L.
  Title Modeling of quantum electron transport with applications in energy filtering nanostructures Type Doctoral thesis
  Year 2016 Publication Abbreviated Journal
  Volume (up) Issue Pages
  Keywords Doctoral thesis; Condensed Matter Theory (CMT)
  Abstract
  Address
  Corporate Author Thesis
  Publisher Place of Publication Antwerpen Editor
  Language Wos Publication Date
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN ISBN Additional Links UA library record
  Impact Factor Times cited Open Access
  Notes Approved Most recent IF: NA
  Call Number UA @ lucian @ c:irua:138752 Serial 4357
Permanent link to this record
 

 
Author Folens, K.; Leus, K.; Nicomel, N.R.; Meledina, M.; Turner, S.; Van Tendeloo, G.; Du Laing, G.; Van Der Voort, P.
  Title Fe3O4@MIL-101-A selective and regenerable adsorbent for the removal of as species from water Type A1 Journal article
  Year 2016 Publication European journal of inorganic chemistry Abbreviated Journal Eur J Inorg Chem
  Volume (up) 2016 Issue 2016 Pages 4395-4401
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract The chromium-based metal organic framework MIL-101(Cr) served as a host for the in situ synthesis of Fe3O4 nano particles. This hybrid nanomaterial was tested as an adsorbent for arsenite and arsenate species in groundwater and surface water and showed excellent affinity towards As-III and As-V species. The adsorption capacities of 121.5 and 80.0 mg g(-1) for arsenite and arsenate species, respectively, are unprecedented. The presence of Ca2+, Mg2+, and phosphate ions and natural organic matter does not affect the removal efficiency or the selectivity. The structural integrity of the hybrid nanomaterial was maintained during the adsorption process and even after desorption through phosphate elution. Additionally, no significant leaching of Cr or Fe species was observed.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Weinheim Editor
  Language Wos 000386166900019 Publication Date 2016-04-21
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1434-1948 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 2.444 Times cited 27 Open Access
  Notes Approved Most recent IF: 2.444
  Call Number UA @ lucian @ c:irua:139220 Serial 4442
Permanent link to this record
 

 
Author Neilson, D.; Perali, A.; Zarenia, M.
  Title Many-body electron correlations in graphene Type P1 Proceeding
  Year 2016 Publication (mbt18) Abbreviated Journal
  Volume (up) 702 Issue 702 Pages 012008
  Keywords P1 Proceeding; Condensed Matter Theory (CMT)
  Abstract The conduction electrons in graphene promise new opportunities to access the region of strong many-body electron-electron correlations. Extremely high quality, atomically flat two-dimensional electron sheets and quasi-one-dimensional electron nanoribbons with tuneable band gaps that can be switched on by gates, should exhibit new many-body phenomena that have long been predicted for the regions of phase space where the average Coulomb repulsions between electrons dominate over their Fermi energies. In electron nanoribbons a few nanometres wide etched in monolayers of graphene, the quantum size effects and the van Hove singularities in their density of states further act to enhance electron correlations. For graphene multilayers or nanoribbons in a double unit electron-hole geometry, it is possible for the many-body electron-hole correlations to be made strong enough to stabilise high-temperature electron- hole superfluidity.
  Address
  Corporate Author Thesis
  Publisher Iop publishing ltd Place of Publication Bristol Editor
  Language Wos 000389756000008 Publication Date 2016-04-29
  Series Editor Series Title Abbreviated Series Title
  Series Volume 702 Series Issue Edition
  ISSN 1742-6588; 1742-6596 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor Times cited 3 Open Access
  Notes ; ; Approved Most recent IF: NA
  Call Number UA @ lucian @ c:irua:140268 Serial 4455
Permanent link to this record
 

 
Author Dzhurakhalov, A.A.; Atanasov, I.; Hou, M.
  Title Calculation of binary and ternary metallic immiscible clusters with icosahedral structures Type A1 Journal article
  Year 2008 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
  Volume (up) Issue Pages 115415
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract Recently, core-shell Ag-Co, Ag-Cu, and “onionlike” Cu-Co equilibrium configurations were predicted in the case of isolated face centered cubic (fcc) bimetallic clusters, and three shell onionlike configurations were predicted in the case of ternary metallic clusters with spherical and truncated octahedral morphologies. In the present paper, immiscible binary CuCo and ternary AgCuCo clusters with icosahedral structures are studied as functions of their size and composition. Clusters studied are formed by 13, 55, 147, 309, and 561 atoms corresponding to the five smallest possible closed shell icosahedral structures. An embedded atom model potential is used to describe their cohesion. Equilibrium configurations are investigated by means of Metropolis Monte Carlo free energy minimization in the (NPT) canonical ensemble. Most simulations are achieved at 10 and 300 K. The effect of temperature on segregation ordering is systematically investigated. Selected cases are used to identify the effect of size and composition on melting. In contrast with fcc clusters, homogeneous onionlike configurations of binary clusters are not predicted. When it is allowed by the composition, a complete outer shell is formed by Cu in binary Cu-Co clusters and by Ag in ternary Ag-Cu-Co clusters. Depending on temperature, Co may precipitate into decahedral groups under the Cu vertices of the icosahedra in binary clusters, while the Co-Cu configuration in ternary clusters drastically depends on the Ag coating. Despite the multicomponent character of the clusters and the immiscibility of the species forming them, for most compositions and sizes, equilibrium structures remain close to perfectly icosahedral at 10 K as well as at 300 K.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Lancaster, Pa Editor
  Language Wos 000254542800167 Publication Date 2008-03-11
  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 11 Open Access
  Notes Approved Most recent IF: 3.836; 2008 IF: 3.322
  Call Number UA @ lucian @ c:irua:104033 Serial 4517
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Author Bleiner, D.; Macri, M.; Gasser, P.; Sautter, V.; Maras, A.
  Title FIB, TEM and LA-ICPMS investigations on melt inclusions in Martian meteorites – Analytical capabilities and geochemical insights Type A1 Journal article
  Year 2006 Publication Talanta : the international journal of pure and applied analytical chemistry Abbreviated Journal Talanta
  Volume (up) Issue Pages
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract In order to obtain full information coverage on melt inclusions in Martian meteorites (subgroup nakhlites) complementary micro-analytical techniques were used, i.e. focused ion beam, transmission electron microscopy and laser ablation. Using focused ion beam several lamellae for transmission electron microscopy were prepared and secondary electron images of cross-sections could be acquired. Laser ablation-inductively coupled plasma mass spectrometry analyses were performed on selected inclusions to obtain mass-oriented bulk composition of inclusions at depth. The differences in composition between melt inclusions in olivine and augite crystals would suggest a xenocrystic origin for olivine. Furthermore, electron diffraction patterns clearly indicated that the SiO2-rich phase in inclusions from augite in meteorites from Northwest Africa site is re-crystallized, whereas it is still vitreous in the inclusions from Nakhla sampling site. Therefore, different post-entrapment evolutions were active for the two nakhlite meteorite sets, the Nakhla and the NWA817 set. Melt inclusions in Nakhla olivine presented alteration veins, which were presumably produced before their landing on Earth. If this is the case, this would indicate a alteration stage already on Mars with all the consequence in terms of climate history. Melt inclusions in Nakhla augite resulted unaffected by any alteration or modification following the entrapment, and therefore represent the best candidate to indicate the pristine magma composition. (c) 2005 Elsevier B.V. All rights reserved.
  Address
  Corporate Author Thesis
  Publisher Pergamon Place of Publication Oxford Editor
  Language Wos 000235509900028 Publication Date 2005-09-24
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0039-9140; 1873-3573 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 4.162 Times cited 9 Open Access
  Notes Approved Most recent IF: 4.162; 2006 IF: 2.810
  Call Number UA @ lucian @ c:irua:95092 Serial 4519
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Author Mees, M.J.; Pourtois, G.; Rosciano, F.; Put, B.; Vereecken, P.M.; Stesmans, A.
  Title First-principles material modeling of solid-state electrolytes with the spinel structure Type A1 Journal article
  Year 2014 Publication Physical chemistry, chemical physics Abbreviated Journal Phys Chem Chem Phys
  Volume (up) Issue Pages
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract Ionic diffusion through the novel (AlxMg1-2xLix)Al2O4 spinel electrolyte is investigated using first-principles calculations, combined with the Kinetic Monte Carlo algorithm. We observe that the ionic diffusion increases with the lithium content x. Furthermore, the structural parameters, formation enthalpies and electronic structures of (AlxMg1-2xLix)Al2O4 are calculated for various stoichiometries. The overall results indicate the (AlxMg1-2xLix)Al2O4 stoichiometries x = 0.2...0.3 as most promising. The (AlxMg1-2xLix)Al2O4 electrolyte is a potential candidate for the all-spinel solid-state battery stack, with the material epitaxially grown between well-known spinel electrodes, such as LiyMn2O4 and Li4+3yTi5O12 (y = 0...1). Due to their identical crystal structure, a good electrolyte-electrode interface is expected.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Cambridge Editor
  Language Wos 000332395700048 Publication Date 2014-02-07
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1463-9076; 1463-9084 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 4.123 Times cited 8 Open Access
  Notes Approved Most recent IF: 4.123; 2014 IF: 4.493
  Call Number UA @ lucian @ c:irua:128893 Serial 4520
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Author Armelao, L.; Bertagnolli, H.; Bleiner, D.; Groenewolt, M.; Gross, S.; Krishnan, V.; Sada, C.; Schubert, U.; Tondello, E.; Zattin, A.
  Title Highly dispersed mixed zirconia and hafnia nanoparticles in a silica matrix: First example of a ZrO2-HfO2-SiO2 ternary oxide system Type A1 Journal article
  Year 2007 Publication Advanced functional materials Abbreviated Journal Adv Funct Mater
  Volume (up) Issue Pages
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract ZrO2 and HfO2 nanoparticles are homogeneously dispersed in SiO2 matrices (supported film and bulk powders) by copolymerization of two oxozirconium and oxohafnium clusters (M4O(2)(OMc)(12), M= Zr, Hf; OMc = OC(O)-C(CH3)=CH2) with (methacryloxypropyl)trimethoxysilane (MAPTMS, (CH2=C(CH3)C(O)O)-(CH2)(3)Si(OCH3)(3)). After calcination (at a temperature >= 800 degrees C), a silica matrix with homogeneously distributed MO2 nanocrystallites is obtained. This route yields a spatially homogeneous dispersion of the metal precursors inside the silica matrix, which is maintained during calcination. The composition of the films and the powders is studied before and after calcination by using Fourier transform infrared (FTIR) analysis, X-ray photoelectron spectroscopy (XPS), secondary ion mass spectrometry (SIMS), and laser ablation inductively coupled plasma mass spectrometry (LA-ICPMS). The local environment of the metal atoms in one of the calcined samples is investigated by using X-ray Absorption Fine Structure (XAFS) spectroscopy. Through X-ray diffraction (XRD) the crystallization of Hf and Zr oxides is seen at temperatures higher than those expected for the pure oxides, and transmission electron microscopy (TEM) shows the presence of well-distributed and isolated crystalline oxide nanoparticles (540 nm).
  Address
  Corporate Author Thesis
  Publisher Place of Publication Weinheim Editor
  Language Wos 000248062100011 Publication Date 2007-05-29
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1616-301x ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 12.124 Times cited 34 Open Access
  Notes Approved Most recent IF: 12.124; 2007 IF: 7.496
  Call Number UA @ lucian @ c:irua:95083 Serial 4521
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Author Bogaerts, A.; Snoeckx, R.; Berthelot, A.; Heijkers, S.; Wang, W.; Sun, S.; Van Laer, K.; Ramakers, M.; Michielsen, I.; Uytdenhouwen, Y.; Meynen, V.; Cool, P.
  Title Plasma based co2 conversion: a combined modeling and experimental study Type P1 Proceeding
  Year 2016 Publication Hakone Xv: International Symposium On High Pressure Low Temperature Plasma Chemistry: With Joint Cost Td1208 Workshop: Non-equilibrium Plasmas With Liquids For Water And Surface Treatment Abbreviated Journal
  Volume (up) Issue Pages
  Keywords P1 Proceeding; Laboratory of adsorption and catalysis (LADCA); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract In recent years there is increased interest in plasma-based CO2 conversion. Several plasma setups are being investigated for this purpose, but the most commonly used ones are a dielectric barrier discharge (DBD), a microwave (MW) plasma and a gliding arc (GA) reactor. In this proceedings paper, we will show results from our experiments in a (packed bed) DBD reactor and in a vortex-flow GA reactor, as well as from our model calculations for the detailed plasma chemistry in a DBD, MW and GA, for pure CO2 as well as mixtures of CO2 with N-2, CH4 and H2O.
  Address
  Corporate Author Thesis
  Publisher Masarykova univ Place of Publication Brno Editor
  Language Wos Publication Date 0000-00-00
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 978-80-210-8318-9 ISBN Additional Links UA library record; WoS full record
  Impact Factor Times cited Open Access
  Notes Approved Most recent IF: NA
  Call Number UA @ lucian @ c:irua:141553 Serial 4526
Permanent link to this record
 

 
Author Houssa, M.; van den Broek, B.; Scalise, E.; Pourtois, G.; Afanas'ev, V.V.; Stesmans, A.
  Title Theoretical study of silicene and germanene Type P1 Proceeding
  Year 2013 Publication Graphene, Ge/iii-v, And Emerging Materials For Post Cmos Applications 5 Abbreviated Journal
  Volume (up) Issue Pages
  Keywords P1 Proceeding; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract The structural and electronic properties of silicene and germanene on metallic and non-metallic substrates are investigated theoretically, using first-principles simulations. We first study the interaction of silicene with Ag(111) surfaces, focusing on the (4x4) silicene/Ag structure. Due to symmetry breaking in the silicene layer (nonequivalent number of top and bottom Si atoms), silicene is predicted to be semiconducting, with a computed energy gap of about 0.3 eV. However, the charge transfer occurring at the silicene/Ag(111) interface leads to an overall metallic system. We next investigate the interaction of silicene and germanene with hexagonal non-metallic substrates, namely ZnS and ZnSe. On reconstructed (semiconducting) (0001) ZnS or ZnSe surfaces, silicene and germanene are found to be semiconducting. Remarkably, the nature (indirect or direct) and magnitude of their energy band gap can be controlled by an out-of-plane electric field.
  Address
  Corporate Author Thesis
  Publisher Electrochemical soc inc Place of Publication Pennington Editor
  Language Wos 000354468000006 Publication Date 2013-05-02
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 978-1-60768-374-2; 978-1-62332-023-2 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor Times cited 6 Open Access
  Notes Approved Most recent IF: NA
  Call Number UA @ lucian @ c:irua:134451 Serial 4529
Permanent link to this record
 

 
Author Smolin, S.Y.; Choquette, A.K.; Wilks, R.G.; Gauquelin, N.; Félix, R.; Gerlach, D.; Ueda, S.; Krick, A.L.; Verbeeck, J.; Bär, M.; Baxter, J.B.; May, S.J.
  Title Energy Level Alignment and Cation Charge States at the LaFeO3/LaMnO3(001) Heterointerface Type A1 Journal article
  Year 2017 Publication Advanced Materials Interfaces Abbreviated Journal Adv Mater Interfaces
  Volume (up) 4 Issue 4 Pages 1700183
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract The electronic properties of LaFeO 3 /LaMnO 3 epitaxial heterojunctions are investigated to determine the valence and conduction band offsets and the nominal Mn and Fe valence states at the interface. Studying a systematic series of (LaFeO 3 ) n /(LaMnO 3 ) m bilayers (m ≈ 50) epitaxially grown in the (001) orientation using molecular beam epitaxy, layer-resolved electron energy loss spectroscopy reveals a lack of significant interfacial charge transfer, with a nominal 3+ valence state observed for both Mn and Fe across the interface. Through a combination of variable angle spectroscopic ellipsometry and hard X-ray photoelectron spectroscopy, type I energy level alignments are obtained at the LaFeO 3 /LaMnO 3 interface with positive valence and conduction band offsets of (1.20 ± 0.07) eV and (0.5–0.7 ± 0.3) eV, respectively, with minimal band bending. Variable temperature resistivity measurements reveal that the bilayers remain insulating and that the presence of the heterojunction does not result in a conducting interface.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000406068400011 Publication Date 2017-04-26
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2196-7350 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 4.279 Times cited 14 Open Access Not_Open_Access
  Notes The authors thank Dmytro Nykypanchuk for assistance with the near- infrared ellipsometry measurement of the LaMnO 3 film. S.Y.S., A.K.C., J.B.B, and S.J.M. acknowledge funding from the National Science Foundation under grant number ECCS-1201957. S.Y.S. acknowledges additional funding from the German Academic Exchange Service (DAAD) through the Research Internships in Science and Engineering (RISE) professional program 2015 ID 5708457. A.L.K. was funded by the National Science Foundation under grant number DMR-1151649. J.V. and N.G. acknowledge funding through the GOA project “Solarpaint” of the University of Antwerp and from the FWO project G.0044.13N (Charge ordering). The microscope used in this work was partly funded by the Hercules Fund from the Flemish Government. Ellipsometry measurements of the LaMnO 3 film were carried out at the Center for Functional Nanomaterials, Brookhaven National Laboratory, which is supported by the U.S. Department of Energy, Office of Basic Energy Sciences, under Contract No. DE-ACO2-98CH10886. S.U. would like to thank the staff of HiSOR, Hiroshima University, and JAEA/Spring-8 for the development of HAXPES at BL15XU of SPring-8. The HAXPES measurements were performed with approval of NIMS Synchrotron X-ray Station (Proposal No. 2015B4601), and were partly supported by the Ministry of Education, Culture, Sports, Science and Technology (MEXT), Japan. The authors also thank HZB for the allocation of synchrotron radiation beamtime for HAXPES/XANES measurements. R.G.W., R.F, and M.B. are grateful to the Impuls- und Vernetzungsfonds of the Helmholtz Association (VH-NG-423).; National Science Foundation, ECCS-1201957 DMR-1151649 ; Deutscher Akademischer Austauschdienst, 2015 ID 5708457 ; GOA project; Fonds Wetenschappelijk Onderzoek, G.0044.13N ; Flemish Government; U.S. Department of Energy, DE-ACO2-98CH10886 ; Vernetzungsfonds of the Helmholtz Association, VH-NG-423 ; Approved Most recent IF: 4.279
  Call Number EMAT @ emat @ c:irua:142346UA @ admin @ c:irua:142346 Serial 4553
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Author Zhang, L.; Lin, B.-C.; Wu, Y.-F.; Wu, H.; Huang, T.-W.; Chang, C.-R.; Ke, X.; Kurttepeli, M.; Tendeloo, G.V.; Xu, J.; Yu, D.; Liao, Z.-M.
  Title Electronic Coupling between Graphene and Topological Insulator Induced Anomalous Magnetotransport Properties Type A1 Journal article
  Year 2017 Publication ACS nano Abbreviated Journal Acs Nano
  Volume (up) 11 Issue 11 Pages 6277-6285
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract It has been theoretically proposed that the spin textures of surface states in a topological insulator can be directly transferred to graphene by means of the proximity effect, which is very important for realizing the two-dimensional topological insulator based on graphene. Here we report the anomalous magnetotransport properties of graphene-topological insulator Bi2Se3 heterojunctions, which are sensitive to the electronic coupling between graphene and the topological surface state. The coupling between the p_z orbitals of graphene and the p orbitals of the surface states on the Bi2Se3 bottom surface can be enhanced by applying a perpendicular negative magnetic field, resulting in a giant negative magnetoresistance at the Dirac point up to about -91%. Obvious resistances dip in the transfer curve at the Dirac point is also observed in the hybrid devices, which is consistent with theoretical predictions of the distorted Dirac bands with nontrivial spin textures inherited from the Bi2Se3 surface states.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000404808000110 Publication Date 2017-05-10
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1936-0851 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 13.942 Times cited 12 Open Access OpenAccess
  Notes ; This work was supported by National Key Research and Development Program of China (Nos. 2016YFA0300802, 2013CB934600) and NSFC (No. 11234001). ; Approved Most recent IF: 13.942
  Call Number EMAT @ emat @ c:irua:143192 Serial 4569
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Author Bliokh, K.Y.; Ivanov, I.P.; Guzzinati, G.; Clark, L.; Van Boxem, R.; Béché, A.; Juchtmans, R.; Alonso, M.A.; Schattschneider, P.; Nori, F.; Verbeeck, J.
  Title Theory and applications of free-electron vortex states Type A1 Journal article
  Year 2017 Publication Physics reports Abbreviated Journal Phys Rep
  Volume (up) 690 Issue 690 Pages 1-70
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract Both classical and quantum waves can form vortices: with helical phase fronts and azimuthal current densities. These features determine the intrinsic orbital angular momentum carried by localized vortex states. In the past 25 years, optical vortex beams have become an inherent part of modern optics, with many remarkable achievements and applications. In the past decade, it has been realized and demonstrated that such vortex beams or wavepackets can also appear in free electron waves, in particular, in electron microscopy. Interest in free-electron vortex states quickly spread over different areas of physics: from basic aspects of quantum mechanics, via applications for fine probing of matter (including individual atoms), to high-energy particle collision and radiation processes. Here we provide a comprehensive review of theoretical and experimental studies in this emerging field of research. We describe the main properties of electron vortex states, experimental achievements and possible applications within transmission electron microscopy, as well as the possible role of vortex electrons in relativistic and high-energy processes. We aim to provide a balanced description including a pedagogical introduction, solid theoretical basis, and a wide range of practical details. Special attention is paid to translate theoretical insights into suggestions for future experiments, in electron microscopy and beyond, in any situation where free electrons occur.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000406169900001 Publication Date 2017-05-29
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0370-1573 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 17.425 Times cited 210 Open Access OpenAccess
  Notes AFOSR, FA9550-14-1-0040 ; CREST, JPMJCR1676 ; Portuguese Fundação para a Ciência e a Tecnologia (FCT), IF/00989/2014/CP1214/CT0004 ; Austrian Science Fund, I543-N20 ; ERC, 278510 VORTEX ; We acknowledge discussions with Mark R. Dennis and Andrei Afanasev. This work was supported by the RIKEN Interdisciplinary Theoretical Science Research Group (iTHES) Project, the Multi-University Research Initiative (MURI) Center for Dynamic Magneto-Optics via the Air Force Office of Scientific Research (AFOSR) (Grant No. FA9550-14-1-0040), Grant-in-Aid for Scientific Research (A), Core Research for Evolutionary Science and Technology (CREST), the John Templeton Foundation, the Australian Research Council, the Portuguese Funda¸c˜ao para a Ciˆencia e a Tecnologia (FCT) (contract IF/00989/2014/CP1214/CT0004 under the IF2014 Program), contracts UID/FIS/00777/2013 and CERN/FIS-NUC/0010/2015 (partially funded through POCTI, COMPETE, QREN, and the European Union), Austrian Science Fund Grant No. I543-N20, the European Research Council under the 7th Framework Program (FP7) (ERC Starting Grant No. 278510 VORTEX), and FWO PhD Fellowship grants (Aspirant Fonds Wetenschappelijk OnderzoekVlaanderen). Approved Most recent IF: 17.425
  Call Number EMAT @ emat @ c:irua:143262 Serial 4574
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Author Petrovic, M.
  Title Characterization of scanning gate technique and transport in nanostructured graphene Type Doctoral thesis
  Year 2017 Publication Abbreviated Journal
  Volume (up) Issue Pages
  Keywords Doctoral thesis; Condensed Matter Theory (CMT)
  Abstract
  Address
  Corporate Author Thesis
  Publisher Place of Publication Antwerpen Editor
  Language Wos Publication Date
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN ISBN Additional Links UA library record
  Impact Factor Times cited Open Access
  Notes Approved Most recent IF: NA
  Call Number UA @ lucian @ c:irua:144015 Serial 4590
Permanent link to this record
 

 
Author Shestakov, M.V.; Meledina, M.; Turner, S.; Baekelant, W.; Verellen, N.; Chen, X.; Hofkens, J.; Van Tendeloo, G.; Moshchalkov, V.V.
  Title Luminescence of fixed site Ag nanoclusters in a simple oxyfluoride glass host and plasmon absorption of amorphous Ag nanoparticles in a complex oxyfluoride glass host Type P1 Proceeding
  Year 2015 Publication Proceedings of the Society of Photo-optical Instrumentation Engineers T2 – 8th International Conference on Photonics, Devices, and System VI, AUG 27-29, 2014, Prague, CZECH REPUBLIC Abbreviated Journal
  Volume (up) Issue Pages Unsp 94501n
  Keywords P1 Proceeding; Electron microscopy for materials research (EMAT)
  Abstract Ag nanocluster-doped glasses have been prepared by a conventional melt-quenching method. The effect of melt temperature and dwell time on the formation of Ag nanoclusters and Ag nanoparticles in simple host oxyfluoride glasses has been studied. The increase of melt temperature and dwell time results in the dissolution of Ag nanoparticles and substantial red-shift of absorption and photoluminescence spectra of the prepared glasses. The quantum yield of the glasses is similar to 5% and does not depend on melt temperature and dwell time. The prepared glasses may be used as red phosphors or down-conversion layers for solar-cells.
  Address
  Corporate Author Thesis
  Publisher Spie-int soc optical engineering Place of Publication Bellingham Editor
  Language Wos 000349404500057 Publication Date 2015-01-06
  Series Editor Series Title Abbreviated Series Title
  Series Volume 9450 Series Issue Edition
  ISSN 978-1-62841-566-7 ISBN Additional Links UA library record; WoS full record
  Impact Factor Times cited Open Access
  Notes Approved Most recent IF: NA
  Call Number UA @ lucian @ c:irua:144783 Serial 4668
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Author Verhulst, A.S.; Verreck, D.; Smets, Q.; Kao, K.-H.; Van de Put, M.; Rooyackers, R.; Sorée, B.; Vandooren, A.; De Meyer, K.; Groeseneken, G.; Heyns, M.M.; Mocuta, A.; Collaert, N.; Thean, A.V.-Y.
  Title Perspective of tunnel-FET for future low-power technology nodes Type P1 Proceeding
  Year 2014 Publication 2014 Ieee International Electron Devices Meeting (iedm) Abbreviated Journal
  Volume (up) Issue Pages
  Keywords P1 Proceeding; Condensed Matter Theory (CMT)
  Abstract
  Address
  Corporate Author Thesis
  Publisher Ieee Place of Publication New york Editor
  Language Wos Publication Date
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 978-1-4799-8000-0 ISBN Additional Links UA library record; WoS full record
  Impact Factor Times cited Open Access
  Notes Approved Most recent IF: NA
  Call Number UA @ lucian @ c:irua:144789 Serial 4679
Permanent link to this record
 

 
Author Alania, M.
  Title Quantification of 3D atomic positions for nanoparticles using scanning transmission electron microscopy: statistical parameter estimation, dose-limited precision and optimal experimental design Type Doctoral thesis
  Year 2017 Publication Abbreviated Journal
  Volume (up) Issue Pages
  Keywords Doctoral thesis; Electron microscopy for materials research (EMAT)
  Abstract
  Address
  Corporate Author Thesis
  Publisher Place of Publication Antwerpen Editor
  Language Wos Publication Date
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN ISBN Additional Links UA library record
  Impact Factor Times cited Open Access
  Notes Approved Most recent IF: NA
  Call Number UA @ lucian @ c:irua:144014 Serial 4682
Permanent link to this record
 

 
Author Zheng, G.; Chen, Z.; Sentosun, K.; Pérez-Juste, I.; Bals, S.; Liz-Marzán, L.M.; Pastoriza-Santos, I.; Pérez-Juste, J.; Hong, M.
  Title Shape control in ZIF-8 nanocrystals and metal nanoparticles@ZIF-8 heterostructures Type A1 Journal article
  Year 2017 Publication Nanoscale Abbreviated Journal Nanoscale
  Volume (up) 9 Issue 9 Pages 16645-16651
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
  Abstract Shape control in metal-organic frameworks still remains a challenge. We propose a strategy based on the capping agent modulator method to control the shape of ZIF-8 nanocrystals. This approach requires the use of a surfactant, cetyltrimethylammonium bromide (CTAB), and a second capping agent, tris(hydroxymethyl)aminomethane (TRIS), to obtain ZIF-8 nanocrystals with morphology control in aqueous media. Semiempirical computational simulations suggest that both shape-inducing agents adsorb onto different surface facets of ZIF-8, thereby slowing down their crystal growth rates. While CTAB molecules preferentially adsorb onto the {100} facets, leading to ZIF-8 particles with cubic morphology, TRIS preferentially stabilizes the {111} facets, inducing the formation of octahedral crystals. Interestingly, the presence of both capping agents leads to nanocrystals with irregular shapes and higher index facets, such as hexapods and burr puzzles. Additionally, the combination of ZIF-8 nanocrystals with other materials is expected to impart additional properties due to the hybrid nature of the resulting nanocomposites. In the present case, the presence of CTAB and TRIS molecules as capping agents facilitates the synthesis of metal nanoparticle@ZIF-8 nanocomposites, due to synergistic effects which could be of use in a number of applications such as catalysis, gas sensing and storage.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000414960900015 Publication Date 2017-07-25
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2040-3364 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 7.367 Times cited 109 Open Access OpenAccess
  Notes This work was supported by the Ministerio de Economía y Competitividad (MINECO, Spain), under the Grants MAT2013- 45168-R and MAT2016-77809-R. This study was also funded by the Xunta de Galicia/FEDER (ED431C 2016-048). We are grateful to the financial support from National Natural Science Foundation of China (21671010), Guangdong Science and Technology Program (2013A061401002), and Shenzhen Strategic Emerging Industries (KQCX2015032709315529, CXZZ20140419131807788). Approved Most recent IF: 7.367
  Call Number EMAT @ emat @c:irua:145827UA @ admin @ c:irua:145827 Serial 4705
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Author Benetti, G.; Caddeo, C.; Melis, C.; Ferrini, G.; Giannetti, C.; Winckelmans, N.; Bals, S.; J Van Bael, M.; Cavaliere, E.; Gavioli, L.; Banfi, F.
  Title Bottom-Up Mechanical Nanometrology of Granular Ag Nanoparticles Thin Films Type A1 Journal article
  Year 2017 Publication The journal of physical chemistry: C : nanomaterials and interfaces Abbreviated Journal J Phys Chem C
  Volume (up) 121 Issue 121 Pages 22434-22441
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
  Abstract Ultrathin metal nanoparticles coatings, synthesized by gas-phase deposition, are emerging as go-to materials in a variety of fields ranging from pathogens control, sensing to energy storage. Predicting their morphology and mechanical properties beyond a trial-and-error approach is a crucial issue limiting their exploitation in real-life applications. The morphology and mechanical properties of Ag nanoparticles ultrathin films, synthesized by supersonic cluster beam deposition, are here assessed adopting a bottom-up, multi-technique approach. A virtual film model is proposed merging high resolution scanning transmission electron microscopy, supersonic cluster beam dynamics and molecular dynamics simulations. The model is validated against mechanical nanometrology measurements and is readily extendable to metals other than Ag. The virtual film is shown to be a flexible and reliable predictive tool to access morphology-dependent properties such as mesoscale gas-dynamics and elasticity of ultrathin films synthesized by gas-phase deposition.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000413131700072 Publication Date 2017-09-11
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1932-7447 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 4.536 Times cited 30 Open Access OpenAccess
  Notes ; All authors thank Prof. Dr. Luciano Colombo for enlightening discussions. C.C. and F.B. acknowledge financial support from the MIUR Futuro in ricerca 2013 Grant in the frame of the ULTRANANO Project (Project No. RBFR13NEA4). F.B., G.F., and C.G. acknowledge support from Universita Cattolica del Sacro Cuore through D.2.2 and D.3.1 grants. F.B. acknowledges financial support from Fondazione E.U.L.O. The authors acknowledge financial support from the European Union through the seventh Framework Program (FP7) under a contract for an Integrated Infrastructure Initiative (Reference No. 312483 ESTEEM2). ; Approved Most recent IF: 4.536
  Call Number EMAT @ emat @c:irua:145828UA @ admin @ c:irua:145828 Serial 4706
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Author Rumyantseva, M.N.; Vladimirova, S.A.; Vorobyeva, N.A.; Giebelhaus, I.; Mathur, S.; Chizhov, A.S.; Khmelevsky, N.O.; Aksenenko, A.Y.; Kozlovsky, V.F.; Karakulina, O.M.; Hadermann, J.; Abakumov, A.M.; Gaskov, A.M.
  Title p -CoO x / n -SnO 2 nanostructures: New highly selective materials for H 2 S detection Type A1 Journal article
  Year 2017 Publication Sensors and actuators : B : chemical Abbreviated Journal Sensor Actuat B-Chem
  Volume (up) Issue Pages
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract Nanostructures p-CoOx/n-SnO2 based on tin oxide nanowires have been prepared by two step CVD technique and characterized in detail by XRD, XRF, XPS, HAADF-STEM imaging and EDX-STEM mapping. Depending on the temperature of decomposition of cobalt complex during the second step of CVD synthesis of nanostructures cobalt oxide forms a coating and/or isolated nanoparticles on SnO2 nanowire surface. It was found that cobalt presents in +2 and +3 oxidation states. The measurements of gas sensor properties have been carried out during exposure to CO (14 ppm), NH3 (21 ppm), and H2S (2 ppm) in dry air. The opposite trends were observed in the effect of cobalt oxide on the SnO2 gas sensitivity when detecting CO or NH3 in comparison to H2S. The decrease of sensor signal toward CO and NH3 was attributed to high catalytic activity of Co3O4 in oxidation of these gases. Contrary, the significant increase of sensor signal in the presence of H2S was attributed to the formation of metallic cobalt sulfide and removal of the barrier between p-CoOx and n-SnO2. This effect provides an excellent selectivity of p-CoOx/n-SnO2 nanostructures in H2S detection.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000414151800068 Publication Date 2017-08-17
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0925-4005 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 5.401 Times cited 13 Open Access Not_Open_Access: Available from 10.10.2019
  Notes ERA-Net.Plus, 096 FONSENS ; Approved Most recent IF: 5.401
  Call Number EMAT @ emat @c:irua:145926 Serial 4710
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Author Mirzakhani, M.
  Title Electronic properties and energy levels of graphene quantum dots Type Doctoral thesis
  Year 2017 Publication Abbreviated Journal
  Volume (up) Issue Pages
  Keywords Doctoral thesis; Condensed Matter Theory (CMT)
  Abstract
  Address
  Corporate Author Thesis
  Publisher Place of Publication Antwerpen Editor
  Language Wos Publication Date
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN ISBN Additional Links UA library record
  Impact Factor Times cited Open Access
  Notes Approved Most recent IF: NA
  Call Number UA @ lucian @ c:irua:147179 Serial 4781
Permanent link to this record
 

 
Author Torfs, E.; Vajs, J.; Bidart de Macedo, M.; Cools, F.; Vanhoutte, B.; Gorbanev, Y.; Bogaerts, A.; Verschaeve, L.; Caljon, G.; Maes, L.; Delputte, P.; Cos, P.; Komrlj, J.; Cappoen, D.
  Title Synthesis and in vitro investigation of halogenated 1,3-bis(4-nitrophenyl)triazenide salts as antitubercular compounds Type A1 Journal article
  Year 2017 Publication Chemical biology and drug design Abbreviated Journal Chem Biol Drug Des
  Volume (up) Issue Pages 1-10
  Keywords A1 Journal article; Pharmacology. Therapy; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract The diverse pharmacological properties of the diaryltriazenes have sparked the interest to investigate their potential to be repurposed as antitubercular drug candidates. In an attempt to improve the antitubercular activity of a previously constructed diaryltriazene library, eight new halogenated nitroaromatic triazenides were synthesized and underwent biological evaluation. The potency of the series was confirmed against the Mycobacterium tuberculosis lab strain H37Ra, and for the most potent derivative, we observed a minimal inhibitory concentration of 0.85 μm. The potency of the triazenide derivatives against M. tuberculosis H37Ra was found to be highly dependent on the nature of the halogenated phenyl substituent and less dependent on cationic species used for the preparation of the salts. Although the inhibitory concentration against J774A.1 macrophages was observed at 3.08 μm, the cellular toxicity was not mediated by the generation of nitroxide intermediate as confirmed by electron paramagnetic resonance spectroscopy, whereas no in vitro mutagenicity could be observed for the new halogenated nitroaromatic triazenides when a trifluoromethyl substituent was present on both the aryl moieties.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Copenhagen Editor
  Language Wos 000422952300027 Publication Date 2017-08-28
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1747-0277; 1747-0285; 1397-002x ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 2.396 Times cited 5 Open Access OpenAccess
  Notes Approved Most recent IF: 2.396
  Call Number UA @ lucian @ c:irua:147182 Serial 4794
Permanent link to this record
 

 
Author Winckelmans, N.; Altantzis, T.; Grzelczak, M.; Sánchez-Iglesias, A.; Liz-Marzán, L.M.; Bals, S.
  Title Multimode Electron Tomography as a Tool to Characterize the Internal Structure and Morphology of Gold Nanoparticles Type A1 Journal article
  Year 2018 Publication The journal of physical chemistry: C : nanomaterials and interfaces Abbreviated Journal J Phys Chem C
  Volume (up) 122 Issue 122 Pages 13522-13528
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
  Abstract Three dimensional (3D) characterization of structural defects in nanoparticles by transmission electron microscopy is far from straightforward. We propose the use of a dose-efficient approach, so-called multimode tomography, during which tilt series of low and high angle annular dark field scanning transmission electron microscopy projection images are acquired simultaneously. In this manner, not only reliable information can be obtained concerning the shape of the nanoparticles, but also the twin planes can be clearly visualized in 3D. As an example, we demonstrate the application of this approach to identify the position of the seeds with respect to the twinning planes in anisotropic gold nanoparticles synthesized using a seed mediated growth approach.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000437811500036 Publication Date 2018-01-16
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1932-7447 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 4.536 Times cited 23 Open Access OpenAccess
  Notes S.B. and N.W. acknowledge funding from the European Research Council under the Seventh Framework Program (FP7), ERC Grant No. 335078 COLOURATOM. S.B. and T.A. acknowledge financial support from the Research Foundation Flanders (FWO, Belgium) through project fundings (G.0369.15N and G.0218.14N) and a postdoctoral research grant to T.A. L.M.L.-M. and M.G. acknowledge funding from the Spanish Ministerio de Economía y Competitividad (grant MAT2013-46101-R). L.M.L.-M. and S.B. acknowledge funding from the European Commission (grant EUSMI 731019). (ROMEO:white; preprint:; postprint:restricted 12 months embargo; pdfversion:cannot); saraecas; ECAS_Sara; Approved Most recent IF: 4.536
  Call Number EMAT @ emat @c:irua:148164UA @ admin @ c:irua:148164 Serial 4807
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Author Yang, Z.; Altantzis, T.; Bals, S.; Tendeloo, G.V.; Pileni, M.-P.
  Title Do Binary Supracrystals Enhance the Crystal Stability? Type A1 Journal article
  Year 2018 Publication The journal of physical chemistry: C : nanomaterials and interfaces Abbreviated Journal J Phys Chem C
  Volume (up) 122 Issue 122 Pages 13515-13521
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
  Abstract We study the oxygen thermal stability of two binary

systems. The larger particles are magnetic amorphous Co (7.2 nm) or

Fe3O4 (7.5 nm) nanocrystals, whereas the smaller ones (3.7 nm) are

Au nanocrystals. The nanocrystal ordering as well as the choice of the

magnetic nanoparticles very much influence the stability of the binary

system. A perfect crystalline structure is obtained with the Fe3O4/Au

binary supracrystals. For the Co/Au binary system, oxidation of Co

results in the chemical transformation from Co to CoO, where the size

of the amorphous Co nanoparticles increases from 7.2 to 9.8 nm in

diameter. During the volume expansion of the Co nanoparticles, Au

nanoparticles within the binary assemblies coalesce and are at the

origin of the instability of the binary nanoparticle supracrystals. On the

other hand, for the Fe3O4/Au binary system, the oxidation of Fe3O4 to

γ-Fe2O3 does not lead to a size change of the nanoparticles, which

maintains the stability of the binary nanoparticle supracrystals. A similar behavior is observed for an AlB2-type Co−Ag binary

system: The crystalline structure is maintained, whereas in disordered assemblies, coalescence of Ag nanocrystals is observed.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000437811500035 Publication Date 2018-01-30
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1932-7447 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 4.536 Times cited 5 Open Access OpenAccess
  Notes The research leading to these results has been supported by an Advanced Grant of the European Research Council under Grant 267129. The authors appreciate financial support by the European Union under the Framework 7 program under a contract for an Integrated Infrastructure Initiative (Reference No. 262348 ESMI). S.B. acknowledges funding from ERC Starting Grant COLOURATOMS (335078). T.A. acknowledges a postdoctoral grant from the Research Foundation Flanders (FWO, Belgium). (ROMEO:white; preprint:; postprint:restricted 12 months embargo; pdfversion:cannot); ecas_sara Approved Most recent IF: 4.536
  Call Number EMAT @ emat @c:irua:149388UA @ admin @ c:irua:149388 Serial 4812
Permanent link to this record
 

 
Author Loreto, S.; Vanrompay, H.; Mertens, M.; Bals, S.; Meynen, V.
  Title The influence of acids on tuning the pore size of mesoporous TiO2 templated by non-ionic block copolymers Type A1 Journal article
  Year 2018 Publication European journal of inorganic chemistry Abbreviated Journal Eur J Inorg Chem
  Volume (up) 2018 Issue 2018 Pages 62-65
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Laboratory of adsorption and catalysis (LADCA)
  Abstract <script type='text/javascript'>document.write(unpmarked('We show the possibility to tune the pore size of mesoporous TiO2 templated by non-ionic block copolymers by adding different inorganic acids at well-chosen concentration. The effect of the inorganic anions on both the TiO2 cluster formation and the non-ionic block copolymers micelles is investigated to explain the experimental results.'));
  Address
  Corporate Author Thesis
  Publisher Place of Publication Weinheim Editor
  Language Wos 000419706000008 Publication Date 2017-12-19
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1434-1948 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 2.444 Times cited 6 Open Access OpenAccess
  Notes ; This work was supported by the Research Foundation-Flanders (FWO) (grant G.0687.13) and the University of Antwerp (BOF project). Hans Vanrompay gratefully acknowledges financial support by the Flemish Fund for Scientific Research (FWO grant 1S32617N). Sara Bals acknowledges financial support from European Research Council (ERC Starting Grant #335078-COLOURATOMS). ; ecas_Sara Approved Most recent IF: 2.444
  Call Number UA @ lucian @ c:irua:147897UA @ admin @ c:irua:147897 Serial 4881
Permanent link to this record
 

 
Author Sathiya, M.; Jacquet, Q; Doublet, M.L; Karakulina, O.M.; Hadermann, J.; Tarascon, J.-M.
  Title A Chemical Approach to Raise Cell Voltage and Suppress Phase Transition in O3 Sodium Layered Oxide Electrodes Type A1 Journal article
  Year 2018 Publication Advanced energy materials Abbreviated Journal Adv. Energy Mater.
  Volume (up) Issue Pages
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
  Abstract Sodium ion batteries (NIBs) are one of the versatile technologies for lowcost rechargeable batteries. O3-type layered sodium transition metal oxides (NaMO2, M = transition metal ions) are one of the most promising positive electrode materials considering their capacity. However, the use of O3 phases is limited due to their low redox voltage and associated multiple phase transitions which are detrimental for long cycling. Herein, a simple strategy is proposed to successfully combat these issues. It consists of the introduction of a larger, nontransition metal ion Sn4+ in NaMO2 to prepare a series of NaNi0.5Mn0.5−y SnyO2 (y = 0–0.5) compositions with attractive electrochemical performances, namely for y = 0.5, which shows a single-phase transition from O3 ⇔ P3 at the very end of the oxidation process. Na-ion NaNi0.5Sn0.5O2/C coin cells are shown to deliver an average cell voltage of 3.1 V with an excellent capacity retention as compared to an average stepwise voltage of ≈2.8 V and limited capacity retention for the pure NaNi0.5Mn0.5O2 phase. This study potentially shows the way to manipulate the O3 NaMO2 for facilitating their practical use in NIBs.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000430163100013 Publication Date 2018-01-11
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 21.875 Times cited 28 Open Access OpenAccess
  Notes M.S. and Q.J. contributed equally to this work. The authors thank Dr. Daniel Alves Dalla Corte and Sujoy Saha for electronic conductivity measurements and Prof. Dominique Larcher for fruitful discussions. Q.J. thanks the ANR “Deli-Redox” for Ph.D. funding. J.-M.T. acknowledges funding from the European Research Council (ERC) (FP/2014)/ERC Grant-Project 670116-ARPEMA. TGA analysis by Matthieu Courty, LRCS, Amiens, is greatly acknowledged. J.H. and O.M.K. acknowledge funding from FWO Vlaanderen project G040116N. Approved Most recent IF: NA
  Call Number EMAT @ emat @c:irua:149515 Serial 4907
Permanent link to this record
 

 
Author Pourtois, G.; Dabral, A.; Sankaran, K.; Magnus, W.; Yu, H.; de de Meux, A.J.; Lu, A.K.A.; Clima, S.; Stokbro, K.; Schaekers, M.; Houssa, M.; Collaert, N.; Horiguchi, N.
  Title Probing the intrinsic limitations of the contact resistance of metal/semiconductor interfaces through atomistic simulations Type P1 Proceeding
  Year 2017 Publication Semiconductors, Dielectrics, And Metals For Nanoelectronics 15: In Memory Of Samares Kar Abbreviated Journal
  Volume (up) Issue Pages 303-311
  Keywords P1 Proceeding; Engineering sciences. Technology; Condensed Matter Theory (CMT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract In this contribution, we report a fundamental study of the factors that set the contact resistivity between metals and highly doped semiconductors. We investigate the case of n-type doped Si contacted with amorphous TiSi combining first-principles calculations with Non-Equilibrium Green functions transport simulations. The intrinsic contact resistivity is found to saturate at similar to 2x10(-10) Omega.cm(2) with the doping concentration and sets an intrinsic limit to the ultimate contact resistance achievable for n-doped Si vertical bar amorphous-TiSi. This limit arises from the intrinsic properties of the semiconductor and of the metal such as their electron effective masses and Fermi energies. We illustrate that, in this regime, contacting metals with a heavy electron effective mass helps reducing the interface intrinsic contact resistivity.
  Address
  Corporate Author Thesis
  Publisher Electrochemical soc inc Place of Publication Pennington Editor
  Language Wos 000426271800028 Publication Date 2017-10-17
  Series Editor Series Title Abbreviated Series Title
  Series Volume 80 Series Issue 1 Edition
  ISSN 978-1-62332-470-4; 978-1-60768-818-1 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor Times cited 1 Open Access Not_Open_Access
  Notes ; ; Approved Most recent IF: NA
  Call Number UA @ lucian @ c:irua:149966 Serial 4976
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Author Verreck, D.; Verhulst, A.S.; Van de Put, M.L.; Sorée, B.; Magnus, W.; Collaert, N.; Mocuta, A.; Groeseneken, G.
  Title Self-consistent 30-band simulation approach for (non-)uniformly strained confined heterostructure tunnel field-effect transistors Type P1 Proceeding
  Year 2017 Publication Simulation of Semiconductor Processes and, Devices (SISPAD)AND DEVICES (SISPAD 2017) Abbreviated Journal
  Volume (up) Issue Pages 29-32
  Keywords P1 Proceeding; Condensed Matter Theory (CMT)
  Abstract Heterostructures of III-V materials under a mechanical strain are being actively researched to enhance the performance of the tunnel field-effect transistor (TFET). In scaled III-V device structures, however, the interplay between the effects of strain and quantum confinement on the semiconductor band structure and hence the performance is highly non-trivial. We have therefore developed a computationally efficient quantum mechanical simulator Pharos, which enables self-consistent full-zone k.p-based simulations of III-V TFETs under a general non-uniform strain. We present the self-consistent procedure and demonstrate it on confined staggered bandgap GaAs0.5Sb0.5/In0.53Ga0.47As TFETs. We find a large performance degradation due to size-induced quantum confinement compared to non-confined devices. We show that some performance can be regained either by applying a uniform biaxial tensile strain or through the non-uniform strain profile at a lattice-mismatched heterostructure.
  Address
  Corporate Author Thesis
  Publisher Ieee Place of Publication New york Editor
  Language Wos Publication Date
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 978-4-86348-610-2 ISBN Additional Links UA library record; WoS full record
  Impact Factor Times cited Open Access
  Notes Approved Most recent IF: NA
  Call Number UA @ lucian @ c:irua:149949 Serial 4978
Permanent link to this record
 

 
Author Vishwakarma, M.; Thota, N.; Karakulina, O.; Hadermann, J.; Mehta, B.R.
  Title Role of graphene inter layer on the formation of the MoS2 – CZTS interface during growth Type P1 Proceeding
  Year 2018 Publication (icc-2017) Abbreviated Journal
  Volume (up) Issue Pages
  Keywords P1 Proceeding; Electron microscopy for materials research (EMAT)
  Abstract The growth of MoS2 layer near the Mo/CZTS interface during sulphurization process can have an impact on back contact cell parameters (series resistance and fill factor) depending upon the thickness or quality of MoS2. This study reports the dependence of the thickness of interfacial MoS2 layer on the growth of graphene at the interface between molybdenum back contact and deposited CZTS layer. The graphene layer reduces the accumulation of Zn/ZnS, Sn/SnO2 and formation of pores near the MoS2-CZTS interface. The use of graphene as interface layer can be potentially useful for improving the quality of Mo/MoS2/CZTS interface.
  Address
  Corporate Author Thesis
  Publisher Amer inst physics Place of Publication Melville Editor
  Language Wos 000436313003046 Publication Date 2018-05-09
  Series Editor Series Title Abbreviated Series Title
  Series Volume 1953 Series Issue Edition
  ISSN 978-0-7354-1648-2; 0094-243x; 0094-243x ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor Times cited 1 Open Access OpenAccess
  Notes ; The authors acknowledge support provided by DST project. M.V. acknowledges IIT Delhi for MHRD fellowship. Prof. B. R. Mehta acknowledges the support of the Schlumberger chair professorship. ; Approved Most recent IF: NA
  Call Number UA @ lucian @ c:irua:153203 Serial 5126
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Author Feld, A.; Weimer, A.; Kornowski, A.; Winckelmans, N.; Merkl, J.-P.; Kloust, H.; Zierold, R.; Schmidtke, C.; Schotten, T.; Riedner, M.; Bals, S.; Weller, P.D., Horst
  Title Chemistry of Shape-Controlled Iron Oxide Nanocrystal Formation Type A1 Journal article
  Year 2018 Publication ACS nano Abbreviated Journal Acs Nano
  Volume (up) 13 Issue 13 Pages 152-162
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
  Abstract Herein we demonstrate that meticulous and in-depth analysis of the reaction mechanisms of nanoparticle formation is rewarded by full control of size, shape and crystal structure of superparamagnetic iron oxide nanocrystals during synthesis. Starting from two iron sources – iron(II)- and iron(III) carbonate -a strict separation of oleate formation from the generation of reactive pyrolysis products and concomitant nucleation of iron oxide nanoparticles was achieved. This protocol enabled us to analyze each step of nanoparticle formation independently in depth. Progress of the entire reaction was monitored via matrix-assisted laser desorption ionization time-of-flight mass spectrometry (MALDI-TOF MS) and gas chromatography (GC) gaining insight into the formation of various iron oleate species prior to nucleation. Interestingly, due to the intrinsic strongly reductive pyrolysis conditions of the oleate intermediates and redox process in early stages of the synthesis, pristine iron oxide nuclei were composed exclusively from wustite, irrespective of the oxidation state of the iron source. Controlling the reaction conditions provided a very broad range of size- and shape defined monodisperse iron oxide nanoparticles. Curiously, after nucleation star shaped nanocrystals were obtained, which underwent metamorphism towards cubic shaped particles. EELS tomography revealed ex post oxidation of the primary wustite nanocrystal providing a full 3D image of Fe2+ and Fe3+ distribution within. Overall, we developed a highly flexible synthesis, yielding multigram amounts of well-defined iron oxide nanocrystals of different sizes and morphologies.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000456749900017 Publication Date 2018-12-12
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1936-0851 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 13.942 Times cited 54 Open Access OpenAccess
  Notes The authors gratefully acknowledge financial support from the Deutsche Forschungsgemeinschaft (DFG, German Research Foundation) – Projektnummer 192346071 – SFB 986 and the excellence cluster ‘The Hamburg Centre for Ultrafast Imaging – Structure, Dynamics and Control of Matter at the Atomic Scale’ (by grant EXC 1074) S.B. and N.W. acknowledge financial support from European Research Council (ERC Starting Grant #335078-COLOURATOMS) and from the Research Foundation Flanders (FWO, Belgium) through Project fundings G038116N. Dr. Volker Sauerland for his support in calibrating the MALDI-TOF spectra. Almut Bark for measuring XRD (ROMEO:white; preprint:; postprint:restricted 12 months embargo; pdfversion:cannot); ecas_sara Approved Most recent IF: 13.942
  Call Number EMAT @ emat @c:irua:155716UA @ admin @ c:irua:155716 Serial 5073
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