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Author Van Tendeloo, G.; De Meulenaere, P.; Letouzé, F.; Martin, C.; Hervieu, M.; Raveau, B.
Title Cation ordering in [(Tl, M)O] layers of “1202”-based cuprates : similarity to ordering in fcc-based alloys Type A1 Journal article
Year 1997 Publication Journal of solid state chemistry Abbreviated Journal J Solid State Chem
Volume (down) 132 Issue Pages 113-122
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract ''1201'' Tl-based substituted cuprates of the type (Tl1-xMx) Sr2CuO5 have been synthesized for M = Nb, Ta, or W. These materials do not superconduct due to a statistical distribution of some of the M for Cu. The remarkable feature of these materials is the ordering observed between Tl and M in the (Tl1-xMx-epsilon)O plane. The type of ordering depends on the composition and shows remarkable similarities with the ordering in Ni-Mo or other so-called 1 1/2 0 type fcc-based alloys or with the ordering in rocksalt oxides TiOx. The short-range order, for M = W, can be readily interpreted in terms of a mixing of nano-clusters with two different compositions. These observations of two-dimensional ordering confirm recent ideas about ordering in three-dimensional fcc-based alloys.
Address
Corporate Author Thesis
Publisher Place of Publication London Editor
Language Wos A1997XY68900015 Publication Date 2002-10-07
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0022-4596; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.299 Times cited 2 Open Access
Notes Approved Most recent IF: 2.299; 1997 IF: 1.486
Call Number UA @ lucian @ c:irua:21448 Serial 299
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Author Neyts, E.C.; Bogaerts, A.
Title Combining molecular dynamics with Monte Carlo simulations : implementations and applications Type A1 Journal article
Year 2013 Publication Theoretical chemistry accounts : theory, computation, and modeling Abbreviated Journal Theor Chem Acc
Volume (down) 132 Issue 2 Pages 1320-12
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract In this contribution, we present an overview of the various techniques for combining atomistic molecular dynamics with Monte Carlo simulations, mainly in the context of condensed matter systems, as well as a brief summary of the main accelerated dynamics techniques. Special attention is given to the force bias Monte Carlo technique and its combination with molecular dynamics, in view of promising recent developments, including a definable timescale. Various examples of the application of combined molecular dynamics / Monte Carlo simulations are given, in order to demonstrate the enhanced simulation efficiency with respect to either pure molecular dynamics or Monte Carlo.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000318294700010 Publication Date 2012-12-19
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1432-881X;1432-2234; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.89 Times cited 27 Open Access
Notes Approved Most recent IF: 1.89; 2013 IF: 2.143
Call Number UA @ lucian @ c:irua:104725 Serial 404
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Author Volkov, V.V.; Van Tendeloo, G.; van Landuyt, J.; Amelinckx, S.; Busheva, E.E.; Shabunina, G.G.; Aminov, T.G.; Novotortsev, V.M.
Title HREM image analysis up to structure determination of SbCrSe3: a new 1D ferromagnet Type A1 Journal article
Year 1997 Publication Journal of solid state chemistry Abbreviated Journal J Solid State Chem
Volume (down) 132 Issue Pages 257-266
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication London Editor
Language Wos A1997YE01700005 Publication Date 0000-00-00
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0022-4596 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.299 Times cited 1 Open Access
Notes Approved Most recent IF: 2.299; 1997 IF: 1.486
Call Number UA @ lucian @ c:irua:21421 Serial 1500
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Author Prituzhalov, V.A.; Ardashnikova, E.I.; Vinogradov, A.A.; Dolgikh, V.A.; Videau, J.-J.; Fargin, E.; Abakumov, A.M.; Tarakina, N.V.; Van Tendeloo, G.
Title New anion-conducting solid solutions Bi1-xTex(O,F)2+\delta (x > 0.5) and glassceramic material on their base Type A1 Journal article
Year 2011 Publication Journal of fluorine chemistry Abbreviated Journal J Fluorine Chem
Volume (down) 132 Issue 12 Pages 1110-1116
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract The anion-excess fluorite-like solid solutions with general composition Bi1−xTex(O,F)2+δ (x > 0.5) have been synthesized by a solid state reaction of TeO2, BiF3 and Bi2O3 at 873 K with following quenching. The homogeneity areas and polymorphism of the I ↔ IV Bi1−xTex(O,F)2+δ phases were investigated. The crystal structure of the low temperature IV-Bi1−xTex(O,F)2+δ phase has been solved using electron diffraction and X-ray powder diffraction (a = 11.53051(9) Å, S.G. Ia-3, RI = 0.046, RP = 0.041). Glass formation area in the Bi2O3BiF3TeO2 (10% TiO2) system was investigated. IVBi1−xTex(O,F)2+δ phase starts to crystallize at short-time (0.53 h) annealing of oxyfluoride glasses at temperatures above Tg (600615 K). The ionic conductivity of the crystalline Bi1−xTex(O,F)2+δ phase and corresponding glass-ceramics was investigated. Activation energy of conductivity Ea = 0.41(2) eV for the IV-Bi1−xTex(O,F)2+δ crystalline samples and Ea = 0.73 eV for the glass-ceramic samples were obtained. Investigation of the oxyfluoride samples with a constant cation ratio demonstrates essential influence of excess fluorine anions on the ionic conductivity.
Address
Corporate Author Thesis
Publisher Place of Publication Lausanne Editor
Language Wos 000296936300011 Publication Date 2011-07-07
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0022-1139; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.101 Times cited 2 Open Access
Notes Approved Most recent IF: 2.101; 2011 IF: 2.033
Call Number UA @ lucian @ c:irua:93687 Serial 2305
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Author Saniz, R.; Sarmadian, N.; Partoens, B.; Batuk, M.; Hadermann, J.; Marikutsa, A.; Rumyantseva, M.; Gaskov, A.; Lamoen, D.
Title First-principles study of CO and OH adsorption on in-doped ZnO surfaces Type A1 Journal article
Year 2019 Publication The journal of physics and chemistry of solids Abbreviated Journal J Phys Chem Solids
Volume (down) 132 Issue Pages 172-181
Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)
Abstract We present a first-principles computational study of CO and OH adsorption on non-polar ZnO (10¯10) surfaces doped with indium. The calculations were performed using a model ZnO slab. The position of the In dopants was varied from deep bulk-like layers to

the surface layers. It was established that the preferential location of the In atoms is at the surface by examining the dependence of

the defect formation energy as well as the surface energy on In location. The adsorption sites on the surface of ZnO and the energy

of adsorption of CO molecules and OH-species were determined in connection to In doping. It was found that OH has higher

bonding energy to the surface than CO. The presence of In atoms at the surface of ZnO is favorable for CO adsorption, resulting

in an elongation of the C-O bond and in charge transfer to the surface. The effect of CO and OH adsorption on the electronic

and conduction properties of surfaces was assessed. We conclude that In-doped ZnO surfaces should present a higher electronic

response upon adsorption of CO.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000472124700023 Publication Date 2019-04-25
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0022-3697 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.059 Times cited 7 Open Access Not_Open_Access: Available from 26.04.2021
Notes FWO-Vlaanderen, G0D6515N ; ERA.Net RUS Plus, 096 ; VSC; HPC infrastructure of the University of Antwerp; FWO-Vlaanderen; Flemish Government-department EWI; Approved Most recent IF: 2.059
Call Number EMAT @ emat @UA @ admin @ c:irua:159656 Serial 5170
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Author Alfeld, M.; Wahabzada, M.; Bauckhage, C.; Kersting, K.; van der Snickt, G.; Noble, P.; Janssens, K.; Wellenreuther, G.; Falkenberg, G.
Title Simplex Volume Maximization (SiVM): a matrix factorization algorithm with non-negative constrains and low computing demands for the interpretation of full spectral X-ray fluorescence imaging data Type A1 Journal article
Year 2017 Publication Microchemical journal Abbreviated Journal Microchem J
Volume (down) 132 Issue Pages 179-184
Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Abstract Technological progress allows for an ever-faster acquisition of hyperspectral data, challenging the users to keep up with interpreting the recorded data. Matrix factorization, the representation of data sets by bases (or loads) and coefficient (or score) images is long used to support the interpretation of complex data sets. We propose in this publication Simplex Volume Maximization (SiVM) for the analysis of X-ray fluorescence (XRF) imaging data sets. SiVM selects archetypical data points that represents the data set and thus provides easily understandable bases, preserves the non-negative character of XRF data sets and has low demands concerning computing resources. We apply SiVM on an XRF data set of Hans Memling's Portrait of a man from the Lespinette family from the collection of the Mauritshuis (The Hague, NL) and discuss capabilities and shortcomings of SiVM. (C) 2017 Elsevier B.V. All rights reserved.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000399845700026 Publication Date 2017-02-04
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0026-265x; 0026-265x ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.034 Times cited 8 Open Access
Notes ; The German Federal Ministry of Education and Research (BMBF) is acknowledged for the financial support (Verbundprojekt 05K2012 POISSON: Fortschrittliche Faktorenanalyse ffir Poisson-verteilte Daten). ; Approved Most recent IF: 3.034
Call Number UA @ admin @ c:irua:152647 Serial 5830
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Author Smith, J.D.; Bladt, E.; Burkhart, J.A.C.; Winckelmans, N.; Koczkur, K.M.; Ashberry, H.M.; Bals, S.; Skrabalak, S.E.
Title Defect‐Directed Growth of Symmetrically Branched Metal Nanocrystals Type A1 Journal article
Year 2020 Publication Angewandte Chemie (International ed. Print) Abbreviated Journal Angew. Chem.
Volume (down) 132 Issue 132 Pages 953-960
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Branched plasmonic nanocrystals (NCs) have attracted much attention due to electric field enhancements at their tips. Seeded growth provides routes to NCs with defined branching patterns and, in turn, near‐field distributions with defined symmetries. Here, a systematic analysis was undertaken in which seeds containing different distributions of planar defects were used to grow branched NCs in order to understand how their distributions direct the branching. Characterization of the products by multimode electron tomography and analysis of the NC morphologies at different overgrowth stages indicate that the branching patterns are directed by the seed defects, with the emergence of branches from the seed faces consistent with minimizing volumetric strain energy at the expense of surface energy. These results contrast with growth of branched NCs from single‐crystalline seeds and provide a new platform for the synthesis of symmetrically branched plasmonic NCs.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000505279500063 Publication Date 2020-01-07
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0044-8249 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited Open Access OpenAccess
Notes The authors thank Samantha Harvey for her initial observations of branched structures, Alexander Chen for his help with SAED, the staff of the Nanoscale Characterization Facility (Dr. Yi Yi),Electron Microscopy Center (Dr. David Morgan and Dr. Barry Stein), and Molecular Strucre Center at Indiana University. J.S. recognizes a fellowship provided by the Indiana Space Grant Consortium. E. B. acknowledges a post-doctoral grant from the Research Foundation Flanders (FWO, Belgium). This project has received funding from the National Science Foundation (award number: 1602476), Research Corporation for Scietific Advancement (2017 Frontiers in Research Excellence and Discovery Award), and the European Union’s Horizon 2020 research and innovation program under grant agreement No 731019 (EUSMI) and No 815128 (REALNANO).; sygma Approved Most recent IF: NA
Call Number EMAT @ emat @c:irua:166581 Serial 6336
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Author Abakumov, A.M.; Shpanchenko, R.V.; Antipov, E.V.; Lebedev, O.I.; Van Tendeloo, G.
Title The crystal structure of Ca3ReO6 Type A1 Journal article
Year 1997 Publication Journal of solid state chemistry Abbreviated Journal J Solid State Chem
Volume (down) 131 Issue Pages 305-309
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication London Editor
Language Wos A1997XQ33000014 Publication Date 0000-00-00
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0022-4596 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.299 Times cited 10 Open Access
Notes Approved Most recent IF: 2.299; 1997 IF: 1.486
Call Number UA @ lucian @ c:irua:21442 Serial 571
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Author Ionescu, R.; Espinosa, E.H.; Leghrib, R.; Felten, A.; Pireaux, J.-J.; Erni, R.; Van Tendeloo, G.; Bittencourt, C.; Canellas, N.; Llobet, E.
Title Novel hybrid materials for gas sensing applications made of metal-decorated MWCNTs dispersed on nano-particle metal oxides Type A1 Journal article
Year 2008 Publication Sensors and actuators : B : chemical Abbreviated Journal Sensor Actuat B-Chem
Volume (down) 131 Issue 1 Pages 174-182
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Lausanne Editor
Language Wos 000255426800026 Publication Date 2007-11-10
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 47 Open Access
Notes Pai Approved Most recent IF: 5.401; 2008 IF: 3.122
Call Number UA @ lucian @ c:irua:68872 Serial 2377
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Author Bals, S.; Batenburg, K.J.; Liang, D.; Lebedev, O.; Van Tendeloo, G.; Aerts, A.; Martens, J.A.; Kirschhock, C.E.
Title Quantitative three-dimensional modeling of zeotile through discrete electron tomography Type A1 Journal article
Year 2009 Publication Journal of the American Chemical Society Abbreviated Journal J Am Chem Soc
Volume (down) 131 Issue 13 Pages 4769-4773
Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Vision lab
Abstract Discrete electron tomography is a new approach for three-dimensional reconstruction of nanoscale objects. The technique exploits prior knowledge of the object to be reconstructed, which results in an improvement of the quality of the reconstructions. Through the combination of conventional transmission electron microscopy and discrete electron tomography with a model-based approach, quantitative structure determination becomes possible. In the present work, this approach is used to unravel the building scheme of Zeotile-4, a silica material with two levels of structural order. The layer sequence of slab-shaped building units could be identified. Successive layers were found to be related by a rotation of 120°, resulting in a hexagonal space group. The Zeotile-4 material is a demonstration of the concept of successive structuring of silica at two levels. At the first level, the colloid chemical properties of Silicalite-1 precursors are exploited to create building units with a slablike geometry. At the second level, the slablike units are tiled using a triblock copolymer to serve as a mesoscale structuring agent.
Address
Corporate Author Thesis
Publisher Place of Publication Washington, D.C. Editor
Language Wos 000264806300050 Publication Date 2009-03-16
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0002-7863;1520-5126; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 13.858 Times cited 58 Open Access
Notes Fwo; Iap; Esteem 026019 Approved Most recent IF: 13.858; 2009 IF: 8.580
Call Number UA @ lucian @ c:irua:76393 Serial 2767
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Author Phung, Q.M.; Vancoillie, S.; Delabie, A.; Pourtois, G.; Pierloot, K.
Title Ruthenocene and cyclopentadienyl pyrrolyl ruthenium as precursors for ruthenium atomic layer deposition : a comparative study of dissociation enthalpies Type A1 Journal article
Year 2012 Publication Theoretical chemistry accounts : theory, computation, and modeling Abbreviated Journal Theor Chem Acc
Volume (down) 131 Issue 7 Pages 1238
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract RuCp2 (ruthenocene) and RuCpPy (cyclopentadienyl pyrrolyl ruthenium) complexes are used in ruthenium (Ru) atomic layer deposition (ALD) but exhibit a markedly different reactivity with respect to the substrate and co-reactant. In search of an explanation, we report here the results of a comparative study of the heterolytic and homolytic dissociation enthalpy of these two ruthenium complexes, making use of either density functional theory (DFT) or multiconfigurational perturbation theory (CASPT2). While both methods predict distinctly different absolute dissociation enthalpies, they agree on the relative values between both molecules. A reduced heterolytic dissociation enthalpy is obtained for RuCpPy compared to RuCp2, although the difference obtained from CASPT2 (19.9 kcal/mol) is slightly larger than the one obtained with any of the DFT functionals (around 17 kcal/mol). Both methods also agree on the more pronounced stability of the Cp- ligand in RuCpPy than in RuCp2 (by around 9 kcal/mol with DFT and by 6 kcal/mol with CASPT2).
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000307274300003 Publication Date 2012-07-07
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1432-881X;1432-2234; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.89 Times cited 5 Open Access
Notes Approved Most recent IF: 1.89; 2012 IF: 2.233
Call Number UA @ lucian @ c:irua:101139 Serial 2935
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Author Antipov, E.V.; Khasanova, N.R.; Pshirkov, J.S.; Putilin, S.N.; Bougerof, C.; Lebedev, O.I.; Van Tendeloo, G.; Baranov, A.; Park, Y.W.
Title The superconducting bismuth-based mixed oxides Type A1 Journal article
Year 2003 Publication Journal of low temperature physics T2 – International Conference on Physics and Chemistry of Molecular and Oxide, Superconductors (MOS2002), AUG 13-18, 2002, HSINCHU, TAIWAN Abbreviated Journal J Low Temp Phys
Volume (down) 131 Issue 3-4 Pages 575-587
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract The present paper describes the synthesis, characterization of mixed-valence bismuthates with 3- or 2-dimensional perovskite-like structures and structural criteria that influence superconductivity in these compounds. Single-phase samples of Sr1-xKxBiO3 were prepared for the broad range of K-content: 0.25 less than or equal to x less than or equal to 0.65. For these bismuthates the symmetry of the structure changes from monoclinic to orthorhombic and finally to tetragonal upon increasing the K-content thus resulting in the decrease of the Bi-O distances and reduction of the network distortions. Superconductivity with maximum T-c = 12K exists in the narrow range (x approximate to 0.5 – 0.6) within the stability field of the tetragonal phase (0.33 less than or equal to x less than or equal to 0.65), when the 3-dimensional octahedral framework has close to the ideal perovskite structure arrangement. At the same time compositions with close to optimal Bi-valence (x = 0.33 and 0.43) do not show any sign of superconductivity, probably, due to structural distortions. The layered type (BaK)(3)Bi2O7 and (Ba,K)(2)BiO4 bismuthates belonging to the A(n+1)B(n)O(3n+1) homologous series were investigated Buckling of the (BiO2) layers in the structure of the n = 2 member was revealed The formation of the n=1 bismuthate was found by Electron Microscopy and X-ray powder diffraction studies. Both types of compounds are considered to be possible candidates for new superconducting materials among bismuthates.
Address
Corporate Author Thesis
Publisher Place of Publication New York Editor
Language Wos 000181768000061 Publication Date 2003-04-07
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0022-2291; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.3 Times cited 3 Open Access
Notes Approved Most recent IF: 1.3; 2003 IF: 1.171
Call Number UA @ lucian @ c:irua:102803 Serial 3597
Permanent link to this record
 

 
Author Hadermann, J.; Abakumov, A.M.; Adkin, J.J.; Hayward, M.A.
Title Topotactic reduction as a route to new close-packed anion deficient perovskites: structure and magnetism of 4H-BaMnO2+x Type A1 Journal article
Year 2009 Publication Journal of the American Chemical Society Abbreviated Journal J Am Chem Soc
Volume (down) 131 Issue 30 Pages 10598-10604
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract The anion-deficient perovskite 4H-BaMnO2+x has been obtained by a topotactic reduction, with LiH, of the hexagonal perovskite 4H-BaMnO3−x. The crystal structure of 4H-BaMnO2+x was solved using electron diffraction and X-ray powder diffraction and further refined using neutron powder diffraction (S.G. Pnma, a = 10.375(2) Å, b = 9.466(2) Å, c = 11.276(3) Å, at 373 K). The orthorhombic superstructure arises from the ordering of oxygen vacancies within a 4H (chch) stacking of close packed c-type BaO2.5 and h-type BaO1.5 layers. The ordering of the oxygen vacancies transforms the Mn2O9 units of face-sharing MnO6 octahedra into Mn2O7 (two corner-sharing tetrahedra) and Mn2O6 (two edge-sharing tetrahedra) groups. The Mn2O7 and Mn2O6 groups are linked by corner-sharing into a three-dimensional framework. The structures of the BaO2.5 and BaO1.5 layers are different from those observed previously in anion-deficient perovskites providing a new type of order pattern of oxygen atoms and vacancies in close packed structures. Magnetization measurements and neutron diffraction data reveal 4H-BaMnO2+x adopts an antiferromagnetically ordered state below TN ≈ 350 K.
Address
Corporate Author Thesis
Publisher Place of Publication Washington, D.C. Editor
Language Wos 000268644400056 Publication Date 2009-07-01
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0002-7863;1520-5126; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 13.858 Times cited 25 Open Access
Notes Approved Most recent IF: 13.858; 2009 IF: 8.580
Call Number UA @ lucian @ c:irua:77928 Serial 3681
Permanent link to this record
 

 
Author Eltayeb, M.A.H.; Van Grieken, R.E.
Title Preconcentration and XRF-determination of heavy metals in hair from Sudanese populations Type A1 Journal article
Year 1989 Publication Journal of radioanalytical and nuclear chemistry Abbreviated Journal
Volume (down) 131 Issue 2 Pages 331-342
Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Abstract Energy-dispersive X-ray fluorescence analysis was applied for the analysis of hair. The hair samples were digested in a mixture of nitric and perchloric acid and the heavy metals were precipitated with ammonium pyrrolidine dithiocarbamate. The accuracy, precision and recovery of the method for the elements Fe, Ni, Cu, Zn and Pb were evaluated through the analysis of a standard hair sample. The procedure was applied to the analysis of hair from an occupationally exposed group of Sudanese workers and a control group. The hair of the exposed group showed a range of 80550 ppm Fe, 612 ppm Cu, 57190 ppm Zn and 703700 ppm Pb, while that of the control group had a range of 60310 ppm Fe, 722 ppm Cu, 89170 ppm Zn and 317 ppm Pb.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos A1989AL77700009 Publication Date 2005-08-12
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0236-5731; 1588-2780 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:116816 Serial 8399
Permanent link to this record
 

 
Author Tran, M.L.; Centeno, S.P.; Hutchison, J.A.; Engelkamp, H.; Liang, D.; Van Tendeloo, G.; Sels, B.F.; Hofkens, J.; Uji-i, H.
Title Control of surface plasmon localization via self-assembly of silver nanoparticles along silver nanowires Type A1 Journal article
Year 2008 Publication Journal of the American Chemical Society Abbreviated Journal J Am Chem Soc
Volume (down) 130 Issue 51 Pages 17240-17241
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract A simple and low-cost method to create metal−metal hybrid nanostructures possessing fairly regularly spaced hot-spots of surface plasmon resonances is proposed. The nanohybrid structure was prepared via self-assembly during a simple drop-casting procedure, using chemically synthesized silver nanowires and silver nanoparticles prepared in a single batch of a polyol process. Wide field illumination of these nanohybrids produced hot-spots with spacings of around 500 nm to 1 ìm. The intensity of the emission/scattering from the hot-spots fluctuates over time. The proposed structure can be useful for the development of molecular-sensors or as a substrate for surface enhanced Raman/fluorescence spectroscopy.
Address
Corporate Author Thesis
Publisher Place of Publication Washington, D.C. Editor
Language Wos 000263320600018 Publication Date 2008-12-03
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0002-7863;1520-5126; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 13.858 Times cited 51 Open Access
Notes Fwo – G.0366.06; Fwo – Iap-Vi/27 Approved Most recent IF: 13.858; 2008 IF: 8.091
Call Number UA @ lucian @ c:irua:75946 Serial 498
Permanent link to this record
 

 
Author Herkelrath, S.J.C.; Saratovsky, I.; Hadermann, J.; Clarke, S.J.
Title Fragmentation of an infinite ZnO2 square plane into discrete [ZnO2]2- linear units in the oxyselenide Ba2ZnO2Ag2Se2 Type A1 Journal article
Year 2008 Publication Journal of the American Chemical Society Abbreviated Journal J Am Chem Soc
Volume (down) 130 Issue 44 Pages 14426-14427
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Analysis of single crystal X-ray diffraction, neutron powder diffraction, electron diffraction and Zn−K-edge EXAFS data show that Ba2ZnO2Ag2Se2 contains unusual isolated [ZnO2]2− moieties resulting from fragmentation of a ZnO2 infinite plane placed under tension.
Address
Corporate Author Thesis
Publisher Place of Publication Washington, D.C. Editor
Language Wos 000260533400037 Publication Date 2008-10-08
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0002-7863;1520-5126; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 13.858 Times cited 13 Open Access
Notes Approved Most recent IF: 13.858; 2008 IF: 8.091
Call Number UA @ lucian @ c:irua:72947 Serial 1273
Permanent link to this record
 

 
Author Verberck, B.; Vliegenthart, G.A.; Gompper, G.
Title Orientational ordering in solid C60 fullerene-cubane Type A1 Journal article
Year 2009 Publication The journal of chemical physics Abbreviated Journal J Chem Phys
Volume (down) 130 Issue 15 Pages 154510,1-154510,14
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract We study the structure and phase behavior of fullerene-cubane C60·C8H8 by Monte Carlo simulation. Using a simple potential model capturing the icosahedral and cubic symmetries of its molecular constituents, we reproduce the experimentally observed phase transition from a cubic to an orthorhombic crystal lattice and the accompanying rotational freezing of the C60 molecules. We elaborate a scheme to identify the low-temperature orientations of individual molecules and to detect a pattern of orientational ordering similar to the arrangement of C60 molecules in solid C60. Our configuration of orientations supports a doubled periodicity along one of the crystal axes.
Address
Corporate Author Thesis
Publisher Place of Publication New York, N.Y. Editor
Language Wos 000265486300036 Publication Date 2009-04-22
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0021-9606; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.965 Times cited 8 Open Access
Notes Approved Most recent IF: 2.965; 2009 IF: 3.093
Call Number UA @ lucian @ c:irua:77258 Serial 2519
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Author Schröder, F.; Esken, D.; Cokoja, M.; van den Berg, M.W.E.; Lebedev, O.I.; Van Tendeloo, G.; Walaszek, B.; Buntkowsky, G.; Limbach, H.H.; Chaudret, B.; Fischer, R.A.;
Title Ruthenium nanoparticles inside porous (Zn40(bdC)(3)) by hydrogenolysis of adsorbed (Ru(cod)(cot)): a solid-state reference system for surfactant-stabilized ruthenium colloids Type A1 Journal article
Year 2008 Publication Journal of the American Chemical Society Abbreviated Journal J Am Chem Soc
Volume (down) 130 Issue 19 Pages 6119-6130
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Washington, D.C. Editor
Language Wos 000255620200018 Publication Date 2008-04-11
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0002-7863;1520-5126; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 13.858 Times cited 272 Open Access
Notes Esteem 026019 Approved Most recent IF: 13.858; 2008 IF: 8.091
Call Number UA @ lucian @ c:irua:68851 Serial 2934
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Author Hyett, G.; Barrier, N.; Clarke, S.J.; Hadermann, J.
Title Topotactic oxidative and reductive control of the structures and properties of layered manganese oxychalcogenides Type A1 Journal article
Year 2007 Publication Journal of the American Chemical Society Abbreviated Journal J Am Chem Soc
Volume (down) 129 Issue 36 Pages 11192-11201
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Washington, D.C. Editor
Language Wos 000249372400055 Publication Date 2007-08-18
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0002-7863;1520-5126; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 13.858 Times cited 12 Open Access
Notes Approved Most recent IF: 13.858; 2007 IF: 7.885
Call Number UA @ lucian @ c:irua:65592 Serial 3680
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Author Gál, Z.A.; Rutt, O.J.; Smura, C.F.; Overton, T.P.; Barrier, N.; Clarke, S.J.; Hadermann, J.
Title Structural chemistry and metamagnetism of an homologous series of layered manganese oxysulfides Type A1 Journal article
Year 2006 Publication Journal of the American Chemical Society Abbreviated Journal J Am Chem Soc
Volume (down) 128 Issue 26 Pages 8530-8540
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Washington, D.C. Editor
Language Wos 000238590000040 Publication Date 2006-06-10
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0002-7863;1520-5126; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 13.858 Times cited 39 Open Access
Notes Iap V-1 Approved Most recent IF: 13.858; 2006 IF: 7.696
Call Number UA @ lucian @ c:irua:60030 Serial 3225
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Author De Beule, C.; Saniz, R.; Partoens, B.
Title Crystalline topological states at a topological insulator junction Type A1 Journal article
Year 2019 Publication The journal of physics and chemistry of solids Abbreviated Journal J Phys Chem Solids
Volume (down) 128 Issue 128 Pages 144-151
Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)
Abstract We consider an interface between two strong time-reversal invariant topological insulators having surface states with opposite spin chirality, or equivalently, opposite mirror Chern number. We show that such an interface supports gapless modes that are protected by mirror symmetry. The interface states are investigated with a continuum model for the Bi2Se3 class of topological insulators that takes into account terms up to third order in the crystal momentum, which ensures that the model has the correct symmetry. The model parameters are obtained from ab initio calculations. Finally, we consider the effect of rotational mismatch at the interface, which breaks the mirror symmetry and opens a gap in the interface spectrum.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000472693100013 Publication Date 2018-01-31
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0022-3697 ISBN Additional Links UA library record; WoS full record
Impact Factor 2.059 Times cited Open Access
Notes ; ; Approved Most recent IF: 2.059
Call Number UA @ admin @ c:irua:161391 Serial 5385
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Author Pauwels, D.; Geboes, B.; Hereijgers, J.; Choukroun, D.; De Wael, K.; Breugelmans, T.
Title The application of an electrochemical microflow reactor for the electrosynthetic aldol reaction of acetone to diacetone alcohol Type A1 Journal article
Year 2017 Publication Chemical engineering research and design Abbreviated Journal Chem Eng Res Des
Volume (down) 128 Issue Pages 205-213
Keywords A1 Journal article; Engineering sciences. Technology; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Laboratory Experimental Medicine and Pediatrics (LEMP); Applied Electrochemistry & Catalysis (ELCAT)
Abstract The design and application of an electrochemical micro-flow reactor for the aldol reaction of acetone to diacetone alcohol (DAA) is reported. The modular reactor could be readily disassembled and reassembled to change the electrodes, incorporate a membrane and remove possible obstructions. The productivity and efficiency was quantified. Using a platinum deposit as electrocatalyst or an inert glassy carbon electrode as working electrode, the maximum obtainable equilibrium concentration of ±15 m% was reached after a single pass up to a flow rate of 8 ml min−1, yielding 0.57 g min−1 DAA (3.46 mmol cm−3 min−1) at an efficiency of 0.33 g C−1 on platinum and 0.50 g min−1 (3.04 mmol cm−3 min−1) at 1.20 g C−1 on glassy carbon. Note that no optimisation studies have been made in the present paper.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000424736500018 Publication Date 2017-10-20
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0263-8762 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.538 Times cited 2 Open Access
Notes ; The authors would like to thank Bert De Mot for assisting with the measurements. Jonas Hereijgers greatly acknowledges the Research Foundation – Flanders (FWO) for support through a Post-Doctoral grant (12Q8817N). ; Approved Most recent IF: 2.538
Call Number UA @ admin @ c:irua:146943 Serial 5871
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Author Cai, Y.; Michiels, R.; De Luca, F.; Neyts, E.; Tu, X.; Bogaerts, A.; Gerrits, N.
Title Improving Molecule–Metal Surface Reaction Networks Using the Meta-Generalized Gradient Approximation: CO2Hydrogenation Type A1 Journal Article
Year 2024 Publication The Journal of Physical Chemistry C Abbreviated Journal J. Phys. Chem. C
Volume (down) 128 Issue 21 Pages 8611-8620
Keywords A1 Journal Article; Plasma, laser ablation and surface modeling Antwerp (PLASMANT) ;
Abstract Density functional theory is widely used to gain insights into molecule−metal surface reaction networks, which is important for a better understanding of catalysis. However, it is well-known that generalized gradient approximation (GGA)

density functionals (DFs), most often used for the study of reaction networks, struggle to correctly describe both gas-phase molecules and metal surfaces. Also, GGA DFs typically underestimate reaction barriers due to an underestimation of the selfinteraction energy. Screened hybrid GGA DFs have been shown to reduce this problem but are currently intractable for wide usage. In this work, we use a more affordable meta-GGA (mGGA) DF in combination with a nonlocal correlation DF for the first time to study and gain new insights into a catalytically important surface

reaction network, namely, CO2 hydrogenation on Cu. We show that the mGGA DF used, namely, rMS-RPBEl-rVV10, outperforms typical GGA DFs by providing similar or better predictions for metals and molecules, as well as molecule−metal surface adsorption

and activation energies. Hence, it is a better choice for constructing molecule−metal surface reaction networks.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos Publication Date 2024-05-30
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1932-7447 ISBN Additional Links
Impact Factor 3.7 Times cited Open Access
Notes H2020 Marie Sklodowska-Curie Actions, 813393 ; Fonds Wetenschappelijk Onderzoek, 1114921N ; H2020 European Research Council, 810182 ; Nederlandse Organisatie voor Wetenschappelijk Onderzoek, 019.202EN.012 ; Approved Most recent IF: 3.7; 2024 IF: 4.536
Call Number PLASMANT @ plasmant @ Serial 9248
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Author Tchakoua, T.; Powell, A.D.; Gerrits, N.; Somers, M.F.; Doblhoff-Dier, K.; Busnengo, H.F.; Kroes, G.-J.
Title Simulating highly activated sticking of H₂ on Al(110) : quantum versus quasi-classical dynamics Type A1 Journal article
Year 2023 Publication The journal of physical chemistry: C : nanomaterials and interfaces Abbreviated Journal
Volume (down) 127 Issue 11 Pages 5395-5407
Keywords A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract We evaluate the importance of quantum effects on the sticking of H2 on Al(110) for conditions that are close to those of molecular beam experiments that have been done on this system. Calculations with the quasi-classical trajectory (QCT) method and with quantum dynamics (QD) are performed using a model in which only motion in the six molecular degrees of freedom is allowed. The potential energy surface used has a minimum barrier height close to the value recently obtained with the quantum Monte Carlo method. Monte Carlo averaging over the initial rovibrational states allowed the QD calculations to be done with an order of magnitude smaller computational expense. The sticking probability curve computed with QD is shifted to lower energies relative to the QCT curve by 0.21 to 0.05 kcal/mol, with the highest shift obtained for the lowest incidence energy. Quantum effects are therefore expected to play a small role in calculations that would evaluate the accuracy of electronic structure methods for determining the minimum barrier height to dissociative chemisorption for H2 + Al(110) on the basis of the standard procedure for comparing results of theory with molecular beam experiments.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000971346700001 Publication Date 2023-03-14
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 3.7 Times cited Open Access OpenAccess
Notes Approved Most recent IF: 3.7; 2023 IF: 4.536
Call Number UA @ admin @ c:irua:196071 Serial 8525
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Author Kavak, S.; Kadu, A.A.; Claes, N.; Sánchez-Iglesias, A.; Liz-Marzán, L.M.; Batenburg, K.J.; Bals, S.
Title Quantitative 3D Investigation of Nanoparticle Assemblies by Volumetric Segmentation of Electron Tomography Data Sets Type A1 Journal article
Year 2023 Publication The journal of physical chemistry: C : nanomaterials and interfaces Abbreviated Journal
Volume (down) 127 Issue 20 Pages 9725-9734
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract Morphological characterization of nanoparticle assemblies and hybrid nanomaterials is critical in determining their structure-property relationships as well as in the development of structures with desired properties. Electron tomography has become a widely utilized technique for the three-dimensional characterization of nanoparticle assemblies. However, the extraction of quantitative morphological parameters from the reconstructed volume can be a complex and labor-intensive task. In this study, we aim to overcome this challenge by automating the volumetric segmentation process applied to three-dimensional reconstructions of nanoparticle assemblies. The key to enabling automated characterization is to assess the performance of different volumetric segmentation methods in accurately extracting predefined quantitative descriptors for morphological characterization. In our methodology, we compare the quantitative descriptors obtained through manual segmentation with those obtained through automated segmentation methods, to evaluate their accuracy and effectiveness. To show generality, our study focuses on the characterization of assemblies of CdSe/CdS quantum dots, gold nanospheres and CdSe/CdS encapsulated in polymeric micelles, and silica-coated gold nanorods decorated with both CdSe/CdS or PbS quantum dots. We use two unsupervised segmentation algorithms: the watershed transform and the spherical Hough transform. Our results demonstrate that the choice of automated segmentation method is crucial for accurately extracting the predefined quantitative descriptors. Specifically, the spherical Hough transform exhibits superior performance in accurately extracting quantitative descriptors, such as particle size and interparticle distance, thereby allowing for an objective, efficient, and reliable volumetric segmentation of complex nanoparticle assemblies.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000991752700001 Publication Date 2023-05-25
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 3.7 Times cited 2 Open Access OpenAccess
Notes Fonds Wetenschappelijk Onderzoek, 1181122N ; Horizon 2020 Framework Programme, 861950 ; H2020 European Research Council, 815128 ; Approved Most recent IF: 3.7; 2023 IF: 4.536
Call Number EMAT @ emat @c:irua:196971 Serial 8793
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Author Teunissen, J.L.; Braeckevelt, T.; Skvortsova, I.; Guo, J.; Pradhan, B.; Debroye, E.; Roeffaers, M.B.J.; Hofkens, J.; Van Aert, S.; Bals, S.; Rogge, S.M.J.; Van Speybroeck, V.
Title Additivity of Atomic Strain Fields as a Tool to Strain-Engineering Phase-Stabilized CsPbI3Perovskites Type A1 Journal Article
Year 2023 Publication The Journal of Physical Chemistry C Abbreviated Journal J. Phys. Chem. C
Volume (down) 127 Issue 48 Pages 23400-23411
Keywords A1 Journal Article; Electron Microscopy for Materials Science (EMAT) ;
Abstract CsPbI3 is a promising perovskite material for photovoltaic applications in its photoactive perovskite or black phase. However, the material degrades to a photovoltaically inactive or yellow phase at room temperature. Various mitigation strategies are currently being developed to increase the lifetime of the black phase, many of which rely on inducing strains in the material that hinder the black-to-yellow phase transition. Physical insight into how these strategies exactly induce strain as well as knowledge of the spatial extent over which these strains impact the material is crucial to optimize these approaches but is still lacking. Herein, we combine machine learning potential-based molecular dynamics simulations with our in silico strain engineering approach to accurately quantify strained large-scale atomic structures on a nanosecond time scale. To this end, we first model the strain fields introduced by atomic substitutions as they form the most elementary strain sources. We demonstrate that the magnitude of the induced strain fields decays exponentially with the distance from the strain source, following a decay rate that is largely independent of the specific substitution. Second, we show that the total strain field induced by multiple strain sources can be predicted to an excellent approximation by summing the strain fields of each individual source. Finally, through a case study, we illustrate how this additive character allows us to explain how complex strain fields, induced by spatially extended strain sources, can be predicted by adequately combining the strain fields caused by local strain sources. Hence, the strain additivity proposed here can be adopted to further our insight into the complex strain behavior in perovskites and to design strain from the atomic level onward to enhance their sought-after phase stability.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 001116862000001 Publication Date 2023-12-07
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1932-7447 ISBN Additional Links UA library record; WoS full record
Impact Factor 3.7 Times cited Open Access OpenAccess
Notes This work was supported by iBOF-21-085 PERsist (Special Research Fund of Ghent University, KU Leuven Research Fund, and the Research Fund of the University of Antwerp). S.M.J.R., T.B., and B.P. acknowledge financial support from the Research Foundation-Flanders (FWO) through two postdoctoral fellow- ships [grant nos. 12T3522N (S.M.J.R.) and 1275521N (B.P.)] and an SB-FWO fellowship [grant no. 1SC1319 (T.B.)]. E.D., M.B.J.R., and J.H. acknowledge financial support from the Research Foundation-Flanders (FWO, grant nos. G.0B39.15, G.0B49.15, G098319N, S002019N, S004322N, and ZW15_09- GOH6316). J.H. acknowledges support from the Flemish government through long-term structural funding Methusalem (CASAS2, Meth/15/04) and the MPI as an MPI fellow. S.V.A. and S.B. acknowledge financial support from the Research Foundation-Flanders (FWO, grant no. G0A7723N). S.M.J.R. and V.V.S. acknowledge funding from the Research Board of Ghent University (BOF). The computational resources and services used in this work were provided by the VSC (Flemish Supercomputer Center), funded by the Research Foundation- Flanders (FWO) and the Flemish Government�department EWI.; KU Leuven, iBOF-21-085 PERsist ; Universiteit Antwerpen, iBOF-21-085 PERsist ; Universiteit Gent, iBOF-21-085 PERsist ; Vlaamse regering, CASAS2, Meth/15/04 ; Fonds Wetenschappelijk Onderzoek, G.0B39.15 G098319N G.0B49.15 1SC1319 12T3522N ZW15 09-GOH6316 G0A7723N 1275521N S004322N S002019N ; Approved Most recent IF: 3.7; 2023 IF: 4.536
Call Number EMAT @ emat @c:irua:202124 Serial 8985
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Author Delfino, C.L.; Hao, Y.; Martin, C.; Minoia, A.; Gopi, E.; Mali, K.S.; Van der Auweraer, M.; Geerts, Y.H.; Van Aert, S.; Lazzaroni, R.; De Feyter, S.
Title Conformation-Dependent Monolayer and Bilayer Structures of an Alkylated TTF Derivative Revealed using STM and Molecular Modeling Type A1 Journal Article
Year 2023 Publication The Journal of Physical Chemistry C Abbreviated Journal J. Phys. Chem. C
Volume (down) 127 Issue 47 Pages 23023-23033
Keywords A1 Journal Article; Electron Microscopy for Materials Science (EMAT) ;
Abstract In this study, the multi-layer self-assembled molecular network formation of an alkylated tetrathiafulvalene compound is studied at the liquid-solid interface between 1-phenyloctane and graphite. A combined theoretical/experimental approach associating force-field and quantum-chemical calculations with scanning tunnelling microscopy is used to determine the two-dimensional self-assembly beyond the monolayer, but also to further the understanding of the molecular adsorption conformation and its impact on the molecular packing within the assemblies at the monolayer and bilayer level.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 001111637100001 Publication Date 2023-11-30
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1932-7447 ISBN Additional Links UA library record; WoS full record
Impact Factor 3.7 Times cited Open Access OpenAccess
Notes Financial support from the Research Foundation-Flanders (FWO G081518N, G0A3220N) and KU Leuven–Internal Funds (C14/19/079) is acknowledged. This work was in part supported by FWO and F. R. S.-FNRS under the Excellence of Science EOS program (project 30489208 and 40007495). C.M. acknowledges the financial support: Grants PID2021-128761OA-C22 and CNS2022-136052 funded by MCIN/AEI/10.13039/501100011033 by the “European Union” and SBPLY/21/180501/000127 funded by JCCM and by the EU through “Fondo Europeo de Desarollo Regional” (FEDER). Research in Mons is also supported by the Belgian National Fund for Scientific Research (FRS-FNRS) within the Consortium des Équipements de Calcul Intensif – CÉCI, under Grant 2.5020.11, and by the Walloon Region (ZENOBE Tier-1 supercomputer, under grant 1117545). Approved Most recent IF: 3.7; 2023 IF: 4.536
Call Number EMAT @ emat @c:irua:201671 Serial 8974
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Author Michel, K.H.; Verberck, B.; Hulman, M.; Kuzmany, H.; Krause, M.
Title Superposition of quantum and classical rotational motions in Sc2C2@C84 fullerite Type A1 Journal article
Year 2007 Publication The journal of chemical physics Abbreviated Journal J Chem Phys
Volume (down) 126 Issue 6 Pages 064304,1-15
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication New York, N.Y. Editor
Language Wos 000244250200008 Publication Date 2007-02-09
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0021-9606; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.965 Times cited 14 Open Access
Notes Approved Most recent IF: 2.965; 2007 IF: 3.044
Call Number UA @ lucian @ c:irua:63628 Serial 3381
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Author Janssens, K.; van der Snickt, G.; Alfeld, M.; Noble, P.; van Loon, A.; Delaney, J.; Conover, D.; Zeibel, J.; Dik, J.
Title Rembrandt's 'Saul and David' (c. 1652) : use of multiple types of smalt evidenced by means of non-destructive imaging Type A1 Journal article
Year 2016 Publication Microchemical journal Abbreviated Journal Microchem J
Volume (down) 126 Issue Pages 515-523
Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Abstract The painting Saul and David, considered to date from c. 1652 and previously attributed to Rembrandt van Rijn and/or his studio, is a complex work of art that has been recently subjected to intensive investigation and conservation treatment. The goal of the research was to give insight into the painting's physical construction and condition in preparation for conservation treatment. It was also anticipated that analysis would shed light on authenticity questions and Rembrandt's role in the creation of the painting. The painting depicts the Old Testament figures of King Saul and David. At left is Saul, seated, holding a spear and wiping a tear from his eye with a curtain. David kneels before him at the right playing his harp. In the past, the large sections with the life-size figures were cut apart and later reassembled. A third piece of canvas was added to replace a missing piece of canvas above the head of David. As part of the investigation into the authenticity of the curtain area, a number of paint micro samples were examined with LM and SEM-EDX. Given that the earth, smalt and lake pigments used in the painting could not be imaged with traditional imaging techniques, the entire painting was also examined with state of the art non-destructive imaging techniques. Special attention was devoted to the presence of cobalt-containing materials, specifically the blue glass pigment smalt considered characteristic for the late Rembrandt. A combination of quantitative electron microprobe analysis and macroscopic X-ray fluorescence scanning revealed that three types of cobalt-containing materials are present in the painting. The first type is a cobalt drier that was found in the overpaint used to cover up the canvas inset and the joins that were added in the 19th century. The other two Co-containing materials are part of the original paint used by Rembrandt and comprise two varieties of smalt, a K-rich glass pigment that derives its gray-blue color by doping with Co-ions. Smalt paint with a higher Ni content (NiO:CoO ratio of around 1:4) was used to depict the blue stripes in Saul's colorful turban, while smalt with a lower Ni content was employed (NiO:CoO ratio of around 1:5) for the broad expanses of Saul's garments. The presence of two types of smalt not only supports the recent re-attribution of the painting to Rembrandt, but also that the picture was painted in two phases. Saul's dark red garment is painted in a rough, “loose” manner and the now discolored smalt-rich layer was found to have been partially removed during a past restoration treatment/s. In contrast, the blue-green smalt in the turban is much better preserved and provides a colorful accent. While the use of different types of smalt in a Rembrandt painting has been previously identified using quantitative EDX analysis of paint cross-sections, to the best of our knowledge this is the first time such a distinction has been observed in a 17th-century painting using non-destructive imaging techniques. In addition to the XRF-based non-invasive elemental mapping, hyperspectral imaging in the visual to near-infrared (VNIR) region was also carried out. (C) 2016 Elsevier B.V. All rights reserved.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000373647500063 Publication Date 2016-01-29
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0026-265x; 0026-265x ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.034 Times cited 18 Open Access
Notes ; This research is part of the ReVisualising late Rembrandt: Developing and Applying New Imaging Techniques research project, supported by the Science4Arts research program of the Netherlands Organisation for Scientific Research (NWO, The Hague, NL, ReVisRembrandt project) and the National Science Foundation (NSF, Washington DC, USA, award 1041827). We would like to thank colleagues of the Mauritshuis (The Hague, NL) and the Dutch Cultural Heritage Agency (RCE) in Rijswijk, NL for their support and assistance during the scanning of the Saul and David painting. The GOA project “SOLARPAINT” (University of Antwerp) and the Fund Baillet Latour (Brussels, B) are acknowledged for financial support to GvdS and KJ. We also like to acknowledge the help of Eliza Longhini and Stijn Legrand during some of the XRF scanning stages. ; Approved Most recent IF: 3.034
Call Number UA @ admin @ c:irua:133258 Serial 5813
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Author Salzmann, B.B.V.; Wit, J. de; Li, C.; Arenas-Esteban, D.; Bals, S.; Meijerink, A.; Vanmaekelbergh, D.
Title Two-Dimensional CdSe-PbSe Heterostructures and PbSe Nanoplatelets: Formation, Atomic Structure, and Optical Properties Type A1 Journal article
Year 2022 Publication The journal of physical chemistry: C : nanomaterials and interfaces Abbreviated Journal J Phys Chem C
Volume (down) 126 Issue 3 Pages 1513-1522
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000744909200001 Publication Date 2022-01-27
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 3.7 Times cited 12 Open Access OpenAccess
Notes H. Meeldijk is kindly acknowledged for helping with electron microscopy at Utrecht University. T. Prins is kindly acknowledged for useful discussions. B.B.V.S. and D.V. acknowledge the Dutch NWO for financial support via the TOP-ECHO Grant No. 715.016.002. D.V. acknowledges financial support from the European ERC Council, ERC Advanced Grant 692691 “First Step”. J.W. and A.M. acknowledge financial support from the project CHEMIE.PGT.2019.004 of TKI/ Topsector Chemie, which is partly financed by the Dutch NWO. S.B, C.L., and D.A.E. acknowledge financial support from the European ERC Council, ERC Consolidator Grant realnano No. 815128. This project has received funding from the European Union’s Horizon 2020 research and innovation program under Grant No. 731019 (EUSMI). sygmaSB Approved Most recent IF: 3.7
Call Number EMAT @ emat @c:irua:185454 Serial 6953
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