toggle visibility
Search within Results:
Display Options:

Select All    Deselect All
 |   | 
Details
   print
  Records Links
Author Becker, T.; Nelissen, K.; Cleuren, B.; Partoens, B.; Van den Broeck, C. url  doi
openurl 
  Title Diffusion of interacting particles in discrete geometries: Equilibrium and dynamical properties Type A1 Journal article
  Year 2014 Publication Physical review : E : statistical, nonlinear, and soft matter physics Abbreviated Journal Phys Rev E  
  Volume 90 Issue 5 Pages 052139  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract We expand on a recent study of a lattice model of interacting particles [Phys. Rev. Lett. 111, 110601 (2013)]. The adsorption isotherm and equilibrium fluctuations in particle number are discussed as a function of the interaction. Their behavior is similar to that of interacting particles in porous materials. Different expressions for the particle jump rates are derived from transition-state theory. Which expression should be used depends on the strength of the interparticle interactions. Analytical expressions for the self-and transport diffusion are derived when correlations, caused by memory effects in the environment, are neglected. The diffusive behavior is studied numerically with kinetic Monte Carlo (kMC) simulations, which reproduces the diffusion including correlations. The effect of correlations is studied by comparing the analytical expressions with the kMC simulations. It is found that the Maxwell-Stefan diffusion can exceed the self-diffusion. To our knowledge, this is the first time this is observed. The diffusive behavior in one-dimensional and higher-dimensional systems is qualitatively the same, with the effect of correlations decreasing for increasing dimension. The length dependence of both the self-and transport diffusion is studied for one-dimensional systems. For long lengths the self-diffusion shows a 1/L dependence. Finally, we discuss when agreement with experiments and simulations can be expected. The assumption that particles in different cavities do not interact is expected to hold quantitatively at low and medium particle concentrations if the particles are not strongly interacting.  
  Address  
  Corporate Author Thesis  
  Publisher American Institute of Physics Place of Publication Woodbury (NY) Editor  
  Language Wos (down) 000345251500004 Publication Date 2014-12-04  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1539-3755;1550-2376; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.366 Times cited 8 Open Access  
  Notes ; This work was supported by the Flemish Science Foundation (Fonds Wetenschappelijk Onderzoek), Project No. G.0388.11. The computational resources and services used in this work were provided by the VSC (Flemish Supercomputer Center), funded by the Hercules Foundation and the Flemish Government, Department EWI. ; Approved Most recent IF: 2.366; 2014 IF: 2.288  
  Call Number UA @ lucian @ c:irua:122134 Serial 700  
Permanent link to this record
 

 
Author Zhang, F.; Vanmeensel, K.; Inokoshi, M.; Batuk, M.; Hadermann, J.; Van Meerbeek, B.; Naert, I.; Vleugels, J. pdf  doi
openurl 
  Title Critical influence of alumina content on the low temperature degradation of 2-3 mol% yttria-stabilized TZP for dental restorations Type A1 Journal article
  Year 2015 Publication Journal of the European Ceramic Society Abbreviated Journal J Eur Ceram Soc  
  Volume 35 Issue 35 Pages 741-750  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract The influence of 0.25, 2 and 5 wt.% alumina addition on the mechanical properties and low temperature degradation (LTD) of 3, 2.5 and 2 mol% yttria-stabilized TZP ceramics was investigated. The amount of alumina addition was observed to have a crucial impact on the degradation of Y-TZP ceramics. Independent on the yttria stabilizer content, 0.25 wt.% alumina had a higher degradation retarding effect to Y-TZP ceramics than 2 and 5 wt.% of alumina addition, which had a comparable effect. The apparent activation energy for the degradation process was increased by adding alumina, but it was the same for 0.255 wt.% alumina doped 3Y-TZP ceramics. For Y-TZPs containing a small amount of alumina addition, only the segregated Al3+ at the grain boundaries of the zirconia grains was effective to retard the degradation of Y-TZPs. The secondary phase Al2O3 grains increased the degradation kinetics, which might be attributed to the residual stresses.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Barking Editor  
  Language Wos (down) 000345201700032 Publication Date 2014-09-27  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0955-2219; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.411 Times cited 37 Open Access  
  Notes Fwo G043110n Approved Most recent IF: 3.411; 2015 IF: 2.947  
  Call Number c:irua:121328 Serial 544  
Permanent link to this record
 

 
Author Chemchuen, S.; Zhou, K.; Kabir, N.A.; Chen, Y.; Ke, X.; Van Tendeloo, G.; Verpoort, F. pdf  doi
openurl 
  Title Tuning metal sites of DABCO MOF for gas purification at ambient conditions Type A1 Journal article
  Year 2015 Publication Microporous and mesoporous materials: zeolites, clays, carbons and related materials Abbreviated Journal Micropor Mesopor Mat  
  Volume 201 Issue 201 Pages 277-285  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract Metalorganic frameworks (MOFs) have emerged as new porous materials for capture and separation of binary gas mixtures. Tuning the metal sites in MOF structures has an impact on properties, which enhance affinity of gas adsorption and selectivity (e.g., surface area, cavity, electric field, etc.). The synthesis and characterization of a M-DABCO series (M = Ni, Co, Cu, Zn) of MOFs are described in this study. The experiments were conducted using multicomponent gas mixtures and the Ideal Adsorbed Solution Theory (IAST) was applied to determine the CO2/CH4 selectivity. Experimental adsorption isotherms were fitted with a model equation to evaluate the characteristic adsorption energy (Isosteric, Qst) of this series. The Ni metal in the M-DABCO series reveals the best performance concerning CO2 adsorption and CH4/CO2 selectivity at ambient conditions based on IAST calculations. The combination of characterizations, calculations and adsorption experiments were used to discuss the metal impact on the adsorption sites in the M-DABCO series at ambient conditions.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Amsterdam Editor  
  Language Wos (down) 000345185200030 Publication Date 2014-09-20  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1387-1811; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.615 Times cited 38 Open Access  
  Notes 246791-Countatoms Approved Most recent IF: 3.615; 2015 IF: 3.453  
  Call Number c:irua:120473 Serial 3748  
Permanent link to this record
 

 
Author Buffière, M.; Brammertz, G.; Batuk, M.; Verbist, C.; Mangin, D.; Koble, C.; Hadermann, J.; Meuris, M.; Poortmans, J. pdf  url
doi  openurl
  Title Microstructural analysis of 9.7% efficient Cu2ZnSnSe4 thin film solar cells Type A1 Journal article
  Year 2014 Publication Applied physics letters Abbreviated Journal Appl Phys Lett  
  Volume 105 Issue 18 Pages 183903  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract This work presents a detailed analysis of the microstructure and the composition of our record Cu 2ZnSnSe4 (CZTSe)-CdS-ZnO solar cell with a total area efficiency of 9.7%. The average composition of the CZTSe crystallites is Cu 1.94 Zn 1.12Sn0.95Se3.99. Large crystals of ZnSe secondary phase (up to 400 nm diameter) are observed at the voids between the absorber and the back contact, while smaller ZnSe domains are segregated at the grain boundaries and close to the surface of the CZTSe grains. An underlying layer and some particles of Cu xSe are observed at the Mo-MoSe2-Cu2ZnSnSe4 interface. The free surface of the voids at the back interface is covered by an amorphous layer containing Cu, S, O, and C, while the presence of Cd, Na, and K is also observed in this region.  
  Address  
  Corporate Author Thesis  
  Publisher American Institute of Physics Place of Publication New York, N.Y. Editor  
  Language Wos (down) 000345000000086 Publication Date 2014-11-08  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0003-6951;1077-3118; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.411 Times cited 17 Open Access  
  Notes Approved Most recent IF: 3.411; 2014 IF: 3.302  
  Call Number UA @ lucian @ c:irua:121329 Serial 2038  
Permanent link to this record
 

 
Author Çakir, D.; Sevik, C.; Peeters, F.M. doi  openurl
  Title Engineering electronic properties of metal-MoSe2 interfaces using self-assembled monolayers Type A1 Journal article
  Year 2014 Publication Journal of materials chemistry C : materials for optical and electronic devices Abbreviated Journal J Mater Chem C  
  Volume 2 Issue 46 Pages 9842-9849  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Metallic contacts are critical components of electronic devices and the presence of a large Schottky barrier is detrimental for an optimal device operation. Here, we show by using first-principles calculations that a self-assembled monolayer (SAM) of polar molecules between the metal electrode and MoSe2 monolayer is able to convert the Schottky contact into an almost Ohmic contact. We choose -CH3 and -CF3 terminated short-chain alkylthiolate (i.e. SCH3 and fluorinated alkylthiolates (SCF3)) based SAMs to test our approach. We consider both high (Au) and low (Sc) work function metals in order to thoroughly elucidate the role of the metal work function. In the case of Sc, the Fermi level even moves into the conduction band of the MoSe2 monolayer upon SAM insertion between the metal surface and the MoSe2 monolayer, and hence possibly switches the contact type from Schottky to Ohmic. The usual Fermi level pinning at the metal-transition metal dichalcogenide (TMD) contact is shown to be completely removed upon the deposition of a SAM. Systematic analysis indicates that the work function of the metal surface and the energy level alignment between the metal electrode and the TMD monolayer can be tuned significantly by using SAMs as a buffer layer. These results clearly indicate the vast potential of the proposed interface engineering to modify the physical and chemical properties of MoSe2.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos (down) 000344998700007 Publication Date 2014-10-16  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2050-7526;2050-7534; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 5.256 Times cited 22 Open Access  
  Notes ; Part of this work is supported by the Flemish Science Foundation (FWO-VI) and the Methusalem foundation of the Flemish Government. Computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure). D. C. is supported by a FWO Pegasus-short Marie Curie Fellowship. C. S. acknowledges the support from Scientific and Technological Research Council of Turkey (TUBITAK 113F096), Anadolu University (BAP-1306F281, -1404F158) and Turkish Academy of Science (TUBA). ; Approved Most recent IF: 5.256; 2014 IF: 4.696  
  Call Number UA @ lucian @ c:irua:122157 Serial 1046  
Permanent link to this record
 

 
Author Van Eynde, E.; Lenaerts, B.; Tytgat, T.; Verbruggen, S.W.; Hauchecorne, B.; Blust, R.; Lenaerts, S. url  doi
openurl 
  Title Effect of pretreatment and temperature on the properties of Pinnularia biosilica frustules Type A1 Journal article
  Year 2014 Publication RSC advances Abbreviated Journal Rsc Adv  
  Volume 4 Issue Pages 56200-56206  
  Keywords A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)  
  Abstract Diatoms are unicellular microalgae that self-assemble an intricate porous silica cell wall, called frustule. Diatom frustules possess a unique combination of physical and chemical properties (chemical inertness, high mechanical strength, large surface area, low density, good porosity and highly ordered features on the nano-to-micro scale) making diatom frustules suited for many nanotechnological applications. For most proposed applications the organic material covering the frustules needs to be removed. In this paper we investigate the effect of different frustule cleaning methods (drying, autoclavation, SDS/EDTA treatment, H2O2 treatment and HNO3 treatment) and subsequent heat treatment at different temperatures (105 °C, 350 °C, 550 °C and 750 °C) on the material characteristics of the diatom Pinnularia sp. Material characteristics under study are morphology, surface area, pore size, elemental composition and organic content. The cleaned Pinnularia frustules are subsequently investigated as adsorbents to remove methylene blue (MB) from aqueous solution.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos (down) 000344997800060 Publication Date 2014-10-23  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2046-2069 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.108 Times cited 10 Open Access  
  Notes ; ; Approved Most recent IF: 3.108; 2014 IF: 3.840  
  Call Number UA @ admin @ c:irua:121377 Serial 5945  
Permanent link to this record
 

 
Author Grujić, M.M.; Tadić, M.Z.; Peeters, F.M. url  doi
openurl 
  Title Orbital magnetic moments in insulating Dirac systems : impact on magnetotransport in graphene van der Waals heterostructures Type A1 Journal article
  Year 2014 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 90 Issue 20 Pages 205408  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract In honeycomb Dirac systems with broken inversion symmetry, orbital magnetic moments coupled to the valley degree of freedom arise due to the topology of the band structure, leading to valley-selective optical dichroism. On the other hand, in Dirac systems with prominent spin-orbit coupling, similar orbital magnetic moments emerge as well. These moments are coupled to spin, but otherwise have the same functional form as the moments stemming from spatial inversion breaking. After reviewing the basic properties of these moments, which are relevant for a whole set of newly discovered materials, such as silicene and germanene, we study the particular impact that these moments have on graphene nanoengineered barriers with artificially enhanced spin-orbit coupling. We examine transmission properties of such barriers in the presence of a magnetic field. The orbital moments are found to manifest in transport characteristics through spin-dependent transmission and conductance, making them directly accessible in experiments. Moreover, the Zeeman-type effects appear without explicitly incorporating the Zeeman term in the models, i.e., by using minimal coupling and Peierls substitution in continuum and the tight-binding methods, respectively. We find that a quasiclassical view is able to explain all the observed phenomena.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos (down) 000344915800009 Publication Date 2014-11-10  
  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 5 Open Access  
  Notes ; This work was supported by the Ministry of Education, Science and Technological Development (Serbia), and the Fonds Wetenschappelijk Onderzoek (Belgium). ; Approved Most recent IF: 3.836; 2014 IF: 3.736  
  Call Number UA @ lucian @ c:irua:122141 Serial 2497  
Permanent link to this record
 

 
Author Prodi, A.; Daoud-Aladine, A.; Gozzo, F.; Schmitt, B.; Lebedev, O.; Van Tendeloo, G.; Gilioli, E.; Bolzoni, F.; Aruga-Katori, H.; Takagi, H.; Marezio, M.; Gauzzi, A.; url  doi
openurl 
  Title Commensurate structural modulation in the charge- and orbitally ordered phase of the quadruple perovskite (NaMn3)Mn4O12 Type A1 Journal article
  Year 2014 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 90 Issue 18 Pages 180101  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract By means of synchrotron x-ray and electron diffraction, we studied the structural changes at the charge order transition T-CO = 176 K in the mixed-valence quadruple perovskite (NaMn3)Mn4O12. Below T-CO we find satellite peaks indicating a commensurate structural modulation with the same propagation vector q = ( 1/2,0,-1/2) of the CE magnetic structure that orders at low temperatures, similarly to the case of simple perovskites such as La0.5Ca0.5MnO3. In the present case, the modulated structure, together with the observation of a large entropy change at T-CO, gives evidence of a rare case of full Mn3+/Mn4+ charge and orbital order, consistent with the Goodenough-Kanamori model.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos (down) 000344915100001 Publication Date 2014-11-10  
  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; 2014 IF: 3.736  
  Call Number UA @ lucian @ c:irua:122097 Serial 406  
Permanent link to this record
 

 
Author Volkova, N.E.; Lebedev, O.I.; Gavrilova, L.Y.; Turner, S.; Gauquelin, N.; Seikh, M.M.; Caignaert, V.; Cherepanov, V.A.; Raveau, B.; Van Tendeloo, G. doi  openurl
  Title Nanoscale ordering in oxygen deficient quintuple perovskite Sm2-\epsilonBa3+\epsilonFe5O15-\delta : implication for magnetism and oxygen stoichiometry Type A1 Journal article
  Year 2014 Publication Chemistry of materials Abbreviated Journal Chem Mater  
  Volume 26 Issue 21 Pages 6303-6310  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract The investigation of the system SmBaFe-O in air has allowed an oxygen deficient perovskite Sm2-epsilon Ba3+epsilon Fe5O15-delta (delta = 0.75, epsilon = 0.125) to be synthesized. In contrast to the XRPD pattern which gives a cubic symmetry (a(p) = 3.934 angstrom), the combined HREM/EELS study shows that this phase is nanoscale ordered with a quintuple tetragonal cell, a(p) X a(p) X 5(ap). The nanodomains exhibit a unique stacking sequence of the A-site cationic layers along the crystallographic c-axis, namely SmBaBa/SmBa/SmBaSm, and are chemically twinned in the three crystallographic directions. The nanoscale ordering of this perovskite explains its peculiar magnetic properties on the basis of antiferromagnetic interactions with spin blockade at the boundary between the nanodomains. The variation of electrical conductivity and oxygen content of this oxide versus temperature suggest potential SOFC applications. They may be related to the particular distribution of oxygen vacancies in the lattice and to the 3d(5)(L) under bar configuration of iron.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos (down) 000344905600029 Publication Date 2014-10-07  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0897-4756;1520-5002; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 9.466 Times cited 16 Open Access  
  Notes The UrFU authors were financially supported by the Ministry of Education and Science of Russian Federation (project N 4.1039.2014/K) and by UrFU under the Framework Program of development of UrFU through the «Young scientists UrFU» competition. The CRISMAT authors gratefully acknowledge the EC, the CNRS and the French Minister of Education and Research for financial support through their Research, Strategic and Scholarship programs. This work was supported by funding from the European Research Council under the Seventh Framework Program (FP7), ERC grant N°246791 – COUNTATOMS. S.T. gratefully acknowledges the fund for scientific research Flanders for a post-doctoral fellowship and for financial support under contract number G004413N. N.G. acknowledges funding from the European Research Council under the 7th Framework Program (FP7), ERC starting grant number 278510 – VORTEX; ECASJO_; Approved Most recent IF: 9.466; 2014 IF: 8.354  
  Call Number UA @ lucian @ c:irua:122137 Serial 2269  
Permanent link to this record
 

 
Author Berdiyorov, G.; Harrabi, K.; Oktasendra, F.; Gasmi, K.; Mansour, A.I.; Maneval, J.P.; Peeters, F.M. url  doi
openurl 
  Title Dynamics of current-driven phase-slip centers in superconducting strips Type A1 Journal article
  Year 2014 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 90 Issue 5 Pages 054506  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Phase-slip centers/lines and hot spots are the main mechanisms for dissipation in current-carrying superconducting thin films. The pulsed-current method has recently been shown to be an effective tool in studying the dynamics of phase-slip centers and their evolution to hot spots. We use the time-dependent Ginzburg-Landau theory in the study of the dynamics of the superconducting condensate in superconducting strips under external current and zero external magnetic field. We show that both the flux-flow state (i.e., slow-moving vortices) and the phase-slip line state (i.e., fast-moving vortices) are dynamically stable dissipative units with temperature smaller than the critical one, whereas hot spots, which are localized normal regions where the local temperature exceeds the critical value, expand in time, resulting ultimately in a complete destruction of the condensate. The response time of the system to abrupt switching on of the overcritical current decreases with increasing both the value of the current (at all temperatures) and temperature (for a given value of the applied current). Our results are in good qualitative agreement with experiments we have conducted on Nb thin strips.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos (down) 000344656700003 Publication Date 2014-08-08  
  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 42 Open Access  
  Notes ; This work was supported by EU Marie Curie Project No. 253057, the Flemish Science Foundation (FWO-Vl), and King Fahd University of Petroleum and Minerals, Saudi Arabia, under the IN131034 DSR project. ; Approved Most recent IF: 3.836; 2014 IF: 3.736  
  Call Number UA @ lucian @ c:irua:121229 Serial 775  
Permanent link to this record
 

 
Author Lobato Hoyos, I.P.; van Dyck, D. url  doi
openurl 
  Title An accurate parameterization for scattering factors, electron densities and electrostatic potentials for neutral atoms that obey all physical constraints Type A1 Journal article
  Year 2014 Publication Acta crystallographica: section A: foundations of crystallography Abbreviated Journal Acta Crystallogr A  
  Volume 70 Issue 6 Pages 636-649  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Vision lab  
  Abstract An efficient procedure and computer program are outlined for fitting numerical X-ray and electron scattering factors with the correct inclusion of all physical constraints. The numerical electron scattering factors have been parameterized using five analytic non-relativistic hydrogen electron scattering factors as basis functions for 103 neutral atoms of the periodic table. The inclusion of the correct physical constraints in the electron scattering factor and its derived quantities allows the use of the new parameterization in different fields. In terms of quality of the fit, the proposed parameterization of the electron scattering factor is one order of magnitude better than the previous analytic fittings.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Copenhagen Editor  
  Language Wos (down) 000344599300012 Publication Date 2014-10-16  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2053-2733; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 5.725 Times cited 19 Open Access  
  Notes Approved Most recent IF: 5.725; 2014 IF: NA  
  Call Number UA @ lucian @ c:irua:122103 Serial 93  
Permanent link to this record
 

 
Author Monico, L.; Janssens, K.; Vanmeert, F.; Cotte, M.; Brunetti, B.G.; van der Snickt, G.; Leeuwestein, M.; Plisson, J.S.; Menu, M.; Miliani, C. doi  openurl
  Title Degradation process of lead chromate in paintings by Vincent van Gogh studied by means of spectromicroscopic methods : part 5 : effects of nonoriginal surface coatings into the nature and distribution of chromium and sulfur species in chrome yellow paints Type A1 Journal article
  Year 2014 Publication Analytical chemistry Abbreviated Journal Anal Chem  
  Volume 86 Issue 21 Pages 10804-10811  
  Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)  
  Abstract The darkening of lead chromate yellow pigments, caused by a reduction of the chromate ions to Cr(III) compounds, is known to affect the appearance of several paintings by Vincent van Gogh. In previous papers of this series, we demonstrated that the darkening is activated by light and depends on the chemical composition and crystalline structure of the pigments. In this work, the results of Part 2 are extended and complemented with a new study aimed at deepening the knowledge of the nature and distribution of Cr and S species at the interface between the chrome yellow paint and the nonoriginal coating layer. For this purpose, three microsamples from two varnished paintings by Van Gogh and a waxed low relief by Gauguin (all originally uncoated) have been examined. Because nonoriginal coatings are often present in artwork by Van Gogh and contemporaries, the understanding of whether or not their application has influenced the morphological and/or physicochemical properties of the chrome yellow paint underneath is relevant in view of the conservation of these masterpieces. In all the samples studied, microscopic X-ray fluorescence (mu-XRF) and X-ray absorption near edge structure (mu-XANES) investigations showed that Cr(III)-based alteration products are present in the form of grains inside the coating (generally enriched of S species) and also homogeneously widespread at the paint surface. The distribution of Cr(III) species may be explained by the mechanical friction caused by the coating application by brush that picked up and redistributed the superficial Cr compounds, likely already present in the reduced state as result of the photodegradation process. The analysis of the XANES profiles allowed us to obtain new insights into the nature of the Cr(III) alteration products, that were identified as sulfate-, oxide-, organo-metal-, and chloride-based compounds. Building upon the knowledge acquired through the examination of original paint samples and from the investigation of aged model paints in the last Part 4 paper, in this study we aim to characterize a possible relation between the chemical composition of the coating and the chrome yellow degradation pathways by studying photochemically aged model samples covered with a dammar varnish contaminated with sulfide and sulfate salts. Cr speciation results did not show any evidence of the active role of the varnish and added S species on the reduction process of chrome yellows.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos (down) 000344510200043 Publication Date 2014-10-10  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0003-2700; 5206-882x ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 6.32 Times cited 25 Open Access  
  Notes ; This research was supported by the Italian projects PRIN (SICH) and PON (ITACHA). The text also presents results from Interuniversity Attraction Poles Programme Belgian Science Policy (S2-ART project S4DA), GOA “XANES meets ELNES” (Research Fund University of Antwerp, Belgium) and FWO (Brussels, Belgium) projects no. G.0704.08 and G.01769.09. ESRF is acknowledged for the grants received (experiments EC-799 and EC-1051). L.M. acknowledges the CNR for the financial support received in the framework of the Short Term Mobility Programme 2013. Thanks are expressed to Ella Hendriks (Van Gogh Museum, Amsterdam) and Muriel Geldof (Cultural Heritage Agency of The Netherlands) for selecting and sharing the information on the cross-section taken from Bank of the Seine. All the staff of the Van Gogh Museum, the Kroller-Muller Museum, and the Musee d'Orsay are acknowledged for the agreeable cooperation. ; Approved Most recent IF: 6.32; 2014 IF: 5.636  
  Call Number UA @ admin @ c:irua:122100 Serial 5570  
Permanent link to this record
 

 
Author Kundu, S.; Kundu, P.; Van Tendeloo, G.; Ravishankar, N. pdf  doi
openurl 
  Title Au2Sx/CdS nanorods by cation exchange : mechanistic insights into the competition between cation-exchange and metal ion reduction Type A1 Journal article
  Year 2014 Publication Small Abbreviated Journal Small  
  Volume 10 Issue 19 Pages 3895-3900  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract Thumbnail image of graphical abstract It is well known that metals with higher electron affinity like Au tend to undergo reduction rather than cation-exchange. It is experimentally shown that under certain conditions cation-exchange is dominant over reduction. Thermodynamic calculation further consolidates the understanding and paves the way for better predictability of cation-exchange/reduction reactions for other systems.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Weinheim Editor  
  Language Wos (down) 000344451900011 Publication Date 2014-06-02  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1613-6810; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 8.643 Times cited 8 Open Access  
  Notes countatoms Approved Most recent IF: 8.643; 2014 IF: 8.368  
  Call Number UA @ lucian @ c:irua:118010 Serial 3514  
Permanent link to this record
 

 
Author Carraro, G.; Gasparotto, A.; Maccato, C.; Bontempi, E.; Lebedev, O.I.; Sada, C.; Turner, S.; Van Tendeloo, G.; Barreca, D. url  doi
openurl 
  Title Rational synthesis of F-doped iron oxides on Al2O3(0001) single crystals Type A1 Journal article
  Year 2014 Publication RSC advances Abbreviated Journal Rsc Adv  
  Volume 4 Issue 94 Pages 52140-52146  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract A plasma enhanced-chemical vapor deposition (PE-CVD) route to Fe2O3-based materials on Al2O3(0001) single crystals at moderate growth temperatures (200-400 degrees C) is reported. The use of the fluorinated Fe(hfa)(2)TMEDA (hfa = 1,1,1,5,5,5-hexafluoro-2,4-pentanedionate; TMEDA = N,N,N',N'-tetramethylethylenediamine) molecular precursor in Ar/O-2 plasmas enabled an in situ F-doping of iron oxide matrices, with a fluorine content tunable as a function of the adopted preparative conditions. Variations of the thermal energy supply enabled control of the system phase composition, resulting in gamma-Fe2O3 at 200 degrees C and alpha-Fe2O3 nanostructures at higher deposition temperatures. Notably, at 400 degrees C the formation of highly oriented alpha-Fe2O3 nanocolumns characterized by an epitaxial relation with the Al2O3(0001) substrate was observed. Beside fluorine content, phase composition and nano-organization, even the system optical properties and, in particular, energy gap values, could be tailored by proper modifications of processing parameters.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos (down) 000344389000041 Publication Date 2014-10-02  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2046-2069; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.108 Times cited 4 Open Access  
  Notes Approved Most recent IF: 3.108; 2014 IF: 3.840  
  Call Number UA @ lucian @ c:irua:121239 Serial 2813  
Permanent link to this record
 

 
Author Carraro, G.; Gasparotto, A.; Maccato, C.; Bontempi, E.; Lebedev, O.I.; Sada, C.; Turner, S.; Van Tendeloo, G.; Barreca, D. url  doi
openurl 
  Title Rational synthesis of F-doped iron oxides on Al2O3(0001) single crystals Type A1 Journal article
  Year 2014 Publication Rsc Advances Abbreviated Journal Rsc Adv  
  Volume Issue 94 Pages 52140-52146  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract A plasma enhanced-chemical vapor deposition (PE-CVD) route to Fe2O3-based materials on Al2O3(0001) single crystals at moderate growth temperatures (200400 °C) is reported. The use of the fluorinated Fe(hfa)2TMEDA (hfa = 1,1,1,5,5,5-hexafluoro-2,4-pentanedionate; TMEDA = N,N,N′,N′-tetramethylethylenediamine) molecular precursor in Ar/O2 plasmas enabled an in situ F-doping of iron oxide matrices, with a fluorine content tunable as a function of the adopted preparative conditions. Variations of the thermal energy supply enabled control of the system phase composition, resulting in γ-Fe2O3 at 200 °C and α-Fe2O3 nanostructures at higher deposition temperatures. Notably, at 400 °C the formation of highly oriented α-Fe2O3 nanocolumns characterized by an epitaxial relation with the Al2O3(0001) substrate was observed. Beside fluorine content, phase composition and nano-organization, even the system optical properties and, in particular, energy gap values, could be tailored by proper modifications of processing parameters.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos (down) 000344389000041 Publication Date 2014-10-02  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2046-2069; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.108 Times cited 4 Open Access  
  Notes Approved Most recent IF: 3.108; 2014 IF: 3.840  
  Call Number UA @ lucian @ c:irua:119529 Serial 2814  
Permanent link to this record
 

 
Author Lu, J.; Martinez, G.T.; Van Aert, S.; Schryvers, D. pdf  doi
openurl 
  Title Lattice deformations in quasi-dynamic strain glass visualised and quantified by aberration corrected electron microscopy Type A1 Journal article
  Year 2014 Publication Physica status solidi: B: basic research Abbreviated Journal Phys Status Solidi B  
  Volume 251 Issue 10 Pages 2034-2040  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract Advanced transmission electron microscopy and statistical parameter estimated quantification procedures were applied to study the room temperature quasi-dynamical strain glass state in NiTi alloys. Nanosized strain pockets are visualised and the displacements of the atom columns are quantified. A comparison is made with conventional high-resolution transmission electron microscopy images of point defect induced strains in NiAl alloys.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Berlin Editor  
  Language Wos (down) 000344360000009 Publication Date 2014-03-31  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0370-1972; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.674 Times cited 2 Open Access  
  Notes Fwo Approved Most recent IF: 1.674; 2014 IF: 1.489  
  Call Number UA @ lucian @ c:irua:120471 Serial 1801  
Permanent link to this record
 

 
Author Berdiyorov, G.R.; Milošević, M.V.; Peeters, F.M.; van Duin, A.T. doi  openurl
  Title Stability of CH3 molecules trapped on hydrogenated sites of graphene Type A1 Journal article
  Year 2014 Publication Physica: B : condensed matter Abbreviated Journal Physica B  
  Volume 455 Issue Pages 60-65  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract We study the effect of a hydrogen atom on the thermal stability of a trapped CH3 molecule on graphene using ReaxFF molecular dynamics simulations. Due to the hydrogen-molecule interaction, enhanced pinning of the CH3 molecule is observed when it is positioned adjacent to the graphene site with the hydrogen atom. We discuss the formation process of such a stable configuration, which originates from different adhesion and migration energies of the hydrogen atom and the CH3 molecule. We also studied the effect of the CH3-H configuration on the electronic transport properties of graphene nanoribbons using first principles density-functional calculations. We found that the formation of the CH3-H structure results in extra features in the transmission spectrum due to the formation of strongly localized states, which are absent when the CH3 molecule is trapped on pristine graphene. Our findings will be useful in exploiting gas sensing properties of graphene, especially for selective detection of individual molecules. (C) 2014 Elsevier B.V. All rights reserved.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Amsterdam Editor  
  Language Wos (down) 000344239200016 Publication Date 2014-07-30  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0921-4526; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.386 Times cited 5 Open Access  
  Notes ; This work was supported by the European Science Foundation (ESF) under the EUROCORES Program Euro-GRAPHENE within the project CONGRAN and the Flemish Science Foundation (FWO-VI). A. van Duin acknowledges funding from the Air Force Office of Scientific Research (AFOSR) under Grant no. FA9550-10-1-0563 G. R. Berdiyorov acknowledges support from King Fahd University of Petroleum and Minerals, Saudi Arabia, under the RG1329-1 and RG1329-2 DSR projects. ; Approved Most recent IF: 1.386; 2014 IF: 1.319  
  Call Number UA @ lucian @ c:irua:121193 Serial 3124  
Permanent link to this record
 

 
Author Shanenko, A.A.; Vagov, A.; Peeters, F.M.; Aguiar, J.A. doi  openurl
  Title Nanofilms as effectively multiband superconductors: Intraband-pairing approximation and Ginzburg-Landau theory Type A1 Journal article
  Year 2014 Publication Physica: B : condensed matter Abbreviated Journal Physica B  
  Volume 455 Issue Pages 3-5  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract It is well-known that the Ginzburg-Landau (GL) theory is a reliable and powerful theoretical tool to investigate the magnetic response of a superconducting state. However, in its standard form, this approach is not applicable to atomically uniform nano-thin superconducting films which are effective multiband superconductors. Here we discuss a relevant generalization of the GL theory, focusing on the underlying intraband-pairing approximation. (C) 2014 Elsevier B.V. All rights reserved.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Amsterdam Editor  
  Language Wos (down) 000344239200002 Publication Date 2014-07-03  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0921-4526; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.386 Times cited 1 Open Access  
  Notes ; This work was supported by the “Odysseus” Program of the Flemish Government, the Flemish Science Foundation (FWO-VI), and the Methusalem program. A.A.S. acknowledges the support of the Brazilian agencies CNPq and FACEPE (APQ-0589-1.05/08). ; Approved Most recent IF: 1.386; 2014 IF: 1.319  
  Call Number UA @ lucian @ c:irua:121192 Serial 2256  
Permanent link to this record
 

 
Author Aguiar, J.A.; Roa-Rojas, J.; Parra Vargas, C.A.; Landinez Tellez, D.A.; Corredor Bohorquez, L.T.; Shanenko, A.; Jardim, R.F.; Peeters, F. doi  openurl
  Title Preface Type Editorial
  Year 2014 Publication Physica: B : condensed matter Abbreviated Journal Physica B  
  Volume 455 Issue Pages 1-2  
  Keywords Editorial; Condensed Matter Theory (CMT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Elsevier science bv Place of Publication Amsterdam Editor  
  Language Wos (down) 000344239200001&DestLinkType=CitingArticles&DestApp=ALL_WOS&UsrCustomerID=ef845e08c439e550330acc77c7 Publication Date 2014-05-15  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0921-4526; ISBN Additional Links UA library record; WoS citing articles; WoS full record  
  Impact Factor 1.386 Times cited Open Access  
  Notes ; ; Approved Most recent IF: 1.386; 2014 IF: 1.319  
  Call Number UA @ lucian @ c:irua:121191 Serial 2696  
Permanent link to this record
 

 
Author Aerts, R.; Snoeckx, R.; Bogaerts, A. pdf  doi
openurl 
  Title In-situ chemical trapping of oxygen in the splitting of carbon dioxide by plasma Type A1 Journal article
  Year 2014 Publication Plasma processes and polymers Abbreviated Journal Plasma Process Polym  
  Volume 11 Issue 10 Pages 985-992  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Weinheim Editor  
  Language Wos (down) 000344180900008 Publication Date 2014-08-18  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1612-8850; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.846 Times cited 29 Open Access  
  Notes Approved Most recent IF: 2.846; 2014 IF: 2.453  
  Call Number UA @ lucian @ c:irua:118302 Serial 1575  
Permanent link to this record
 

 
Author Van Grieken, R. doi  openurl
  Title 2014 Award for best referee of X-Ray Spectrometry Type Editorial
  Year 2014 Publication X-ray spectrometry Abbreviated Journal  
  Volume 43 Issue 6 Pages 311-311  
  Keywords Editorial; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos (down) 000344178700001 Publication Date 2014-09-27  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0049-8246 ISBN Additional Links UA library record; WoS full record  
  Impact Factor Times cited Open Access  
  Notes Approved no  
  Call Number UA @ admin @ c:irua:121210 Serial 7385  
Permanent link to this record
 

 
Author Xu, P.; Qi, D.; Schoelz, J.K.; Thompson, J.; Thibado, P.M.; Wheeler, V.D.; Nyakiti, L.O.; Myers-Ward, R.L.; Eddy, C.R.; Gaskill, D.K.; Neek-Amal, M.; Peeters, F.M.; doi  openurl
  Title Multilayer graphene, Moire patterns, grain boundaries and defects identified by scanning tunneling microscopy on the m-plane, non-polar surface of SiC Type A1 Journal article
  Year 2014 Publication Carbon Abbreviated Journal Carbon  
  Volume 80 Issue Pages 75-81  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Epitaxial graphene is grown on a non-polar n(+) 6H-SiC m-plane substrate and studied using atomic scale scanning tunneling microscopy. Multilayer graphene is found throughout the surface and exhibits rotational disorder. Moire patterns of different spatial periodicities are found, and we found that as the wavelength increases, so does the amplitude of the modulations. This relationship reveals information about the interplay between the energy required to bend graphene and the interaction energy, i.e. van der Waals energy, with the graphene layer below. Our experiments are supported by theoretical calculations which predict that the membrane topographical amplitude scales with the Moire pattern wavelength, L as L-1 + alpha L-2. (C) 2014 Elsevier Ltd. All rights reserved.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Oxford Editor  
  Language Wos (down) 000344132400009 Publication Date 2014-08-19  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0008-6223; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 6.337 Times cited 14 Open Access  
  Notes ; P.X. and P.M.T. gratefully acknowledge the financial support of ONR under grant N00014-10-1-0181 and NSF under grant DMR-0855358. L.O.N. acknowledges the support of American Society for Engineering Education and Naval Research Laboratory Postdoctoral Fellow Program. Work at the U.S. Naval Research Laboratory is supported by the Office of Naval Research. This work was supported by the Flemish Science Foundation (FWO-Vl), the Methusalem Foundation of the Flemish Government, and the EUROgraphene project CONGRAN. M.N.-A was supported by the EU-Marie Curie IIF postdoc Fellowship 299855. ; Approved Most recent IF: 6.337; 2014 IF: 6.196  
  Call Number UA @ lucian @ c:irua:121194 Serial 2221  
Permanent link to this record
 

 
Author Berdiyorov, G.R.; Milošević, M.V.; Savel'ev, S.; Kusmartsev, F.; Peeters, F.M. url  doi
openurl 
  Title Parametric amplification of vortex-antivortex pair generation in a Josephson junction Type A1 Journal article
  Year 2014 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 90 Issue 13 Pages 134505  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Using advanced three-dimensional simulations, we show that an Abrikosov vortex, trapped inside a cavity perpendicular to an artificial Josephson junction, can serve as a very efficient source for generation of Josephson vortex-antivortex pairs in the presence of the applied electric current. In such a case, the nucleation rate of the pairs can be tuned in a broad range by an out-of-plane ac magnetic field in a broad range of frequencies. This parametrically amplified vortex-antivortex nucleation can be considered as a macroscopic analog of the dynamic Casimir effect, where fluxon pairs mimic the photons and the ac magnetic field plays the role of the oscillating mirrors. The emerging vortex pairs in our system can be detected by the pronounced features in the measured voltage characteristics, or through the emitted electromagnetic radiation, and exhibit resonant dynamics with respect to the frequency of the applied magnetic field. Reported tunability of the Josephson oscillations can be useful for developing high-frequency emission devices.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos (down) 000344025100003 Publication Date 2014-10-06  
  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 22 Open Access  
  Notes ; This work was supported by the Flemish Science Foundation (FWO-VI) and the Leverhulme Trust. G.R.B. acknowledges support from a EU-Marie Curie individual grant (Grant No. 253057) ; Approved Most recent IF: 3.836; 2014 IF: 3.736  
  Call Number UA @ lucian @ c:irua:121176 Serial 2553  
Permanent link to this record
 

 
Author Meul, M.; Van Middelaar, C.E.; de Boer, I.J.M.; Van Passel, S.; Fremaut, D.; Haesaert, G. doi  openurl
  Title Potential of life cycle assessment to support environmental decision making at commercial dairy farms Type A1 Journal article
  Year 2014 Publication Agricultural Systems Abbreviated Journal Agr Syst  
  Volume 131 Issue Pages 105-115  
  Keywords A1 Journal article; Engineering Management (ENM)  
  Abstract In this paper, we evaluate the potential of life cycle assessment (LCA) to support environmental decision making at commercial dairy farms. To achieve this, we follow a four-step method that allows converting environmental assessment results using LCA into case-specific advice for farmers. This is illustrated in a case-study involving 20 specialized Flemish dairy farms. Calculated LCA indicators are normalized into scores between 0 and 100, whereby a score of 100 is assumed optimal, to allow for a mutual comparison of indicators for different environmental impact categories. Next, major farm and management characteristics affecting environmental performance are identified using multiple regression and correlation analyses. Finally, comparing specific farm and management characteristics with those of best performing farms identifies farm-specific optimization strategies. We conclude that this approach complies with most of the identified critical success factors for the successful implementation of LCA as a decision support system for farmers. Key aspects herein are (i) the flexibility and accessibility of the model, (ii) the use of readily available farm data, (iii) farm advisors being intended model users, (iv) the identification of key farm and management characteristics affecting environmental performance and (v) the organization of discussion sessions involving farmers and farm advisors. However, attention should be paid (i) to provide sufficient training and guidance for farm advisors on the use of the applied LCA model and the interpretation of results, (ii) to evaluate the correctness of the used data and (iii) to keep the model up-to-date according to new scientific insights and knowledge concerning LCA methodology. (C) 2014 Elsevier Ltd. All rights reserved.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos (down) 000343955300011 Publication Date 2014-09-15  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0308-521x ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.571 Times cited 25 Open Access  
  Notes ; ; Approved Most recent IF: 2.571; 2014 IF: 2.906  
  Call Number UA @ admin @ c:irua:127540 Serial 6238  
Permanent link to this record
 

 
Author Goris, B.; Turner, S.; Bals, S.; Van Tendeloo, G. pdf  url
doi  openurl
  Title Three-dimensional valency mapping in ceria nanocrystals Type A1 Journal article
  Year 2014 Publication ACS nano Abbreviated Journal Acs Nano  
  Volume 8 Issue 10 Pages 10878-10884  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract Using electron tomography combined with electron energy loss spectroscopy (EELS), we are able to map the valency of the Ce ions in CeO2-x nanocrystals in three dimensions. Our results show a clear facet-dependent reduction shell at the surface of ceria nanoparticles; {111} surface facets show a low surface reduction, whereas at {001} surface facets, the cerium ions are more likely to be reduced over a larger surface shell. Our generic tomographic technique allows a full 3D data cube to be reconstructed, containing an EELS spectrum in each voxel. This possibility enables a three-dimensional investigation of a plethora of material-specific physical properties such as valency, chemical composition, oxygen coordination, or bond lengths, triggering the synthesis of nanomaterials with improved properties.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos (down) 000343952600126 Publication Date 2014-10-06  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1936-0851;1936-086X; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 13.942 Times cited 85 Open Access OpenAccess  
  Notes 335078 Colouratom; 246791 Countatoms; Fwo; 312483 Esteem2; esteem2jra4; ECASSara; (ROMEO:white; preprint:; postprint:restricted 12 months embargo; pdfversion:cannot); Approved Most recent IF: 13.942; 2014 IF: 12.881  
  Call Number UA @ lucian @ c:irua:121219 Serial 3656  
Permanent link to this record
 

 
Author Damm, H.; Adriaensens, P.; De Dobbelaere, C.; Capon, B.; Elen, K.; Drijkoningen, J.; Conings, B.; Manca, J.V.; D’Haen, J.; Detavernier, C.; Magusin, P.C.M.M.; Hadermann, J.; Hardy, A.; Van Bael, M.K.; doi  openurl
  Title Factors Influencing the Conductivity of Aqueous Sol(ution)-Gel-Processed Al-Doped ZnO Films Type A1 Journal article
  Year 2014 Publication Chemistry of materials Abbreviated Journal Chem Mater  
  Volume 26 Issue 20 Pages 5839-5851  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos (down) 000343950300004 Publication Date 2014-10-06  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0897-4756;1520-5002; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 9.466 Times cited 24 Open Access  
  Notes Approved Most recent IF: 9.466; 2014 IF: 8.354  
  Call Number UA @ lucian @ c:irua:121211 Serial 1170  
Permanent link to this record
 

 
Author Ozaydin, H.D.; Sahin, H.; Senger, R.T.; Peeters, F.M. doi  openurl
  Title Formation and diffusion characteristics of Pt clusters on Graphene, 1H-MoS2 and 1T-TaS2 Type A1 Journal article
  Year 2014 Publication Annalen der Physik Abbreviated Journal Ann Phys-Berlin  
  Volume 526 Issue 9-10 Pages 423-429  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Many experiments have revealed that the surfaces of graphene and graphene-like structures can play an active role as a host surface for clusterization of transition metal atoms. Motivated by these observations, we investigate theoretically the adsorption, diffusion and magnetic properties of Pt clusters on three different two-dimensional atomic crystals using first principles density functional theory. We found that monolayers of graphene, molybdenum disulfide (1H-MoS2) and tantalum disulfide (1T-TaS2) provide different nucleation characteristics for Pt cluster formation. At low temperatures, while the bridge site is the most favorable site where the growth of a Pt cluster starts on graphene, top-Mo and top-Ta sites are preferred on 1H-MoS2 and 1T-TaS2, respectively. Ground state structures and magnetic properties of Pt-n clusters (n= 2,3,4) on three different monolayer crystal structures are obtained. We found that the formation of Pt-2 dimer and a triangle-shaped Pt-3 cluster perpendicular to the surface are favored over the three different surfaces. While bent rhombus shaped Pt-4 is formed on graphene, the formation of tetrahedral shaped clusters are more favorable on 1H-MoS2 and 1T-TaS2. Our study of the formation of Pt-n clusters on three different monolayers provides a gateway for further exploration of nanocluster formations on various surfaces.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Leipzig Editor  
  Language Wos (down) 000343873700015 Publication Date 2014-06-16  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0003-3804; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.039 Times cited 10 Open Access  
  Notes ; This work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem foundation of the Flemish government. Computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure). H.S. is supported by a FWO Pegasus Long Marie Curie Fellowship. ; Approved Most recent IF: 3.039; 2014 IF: 3.048  
  Call Number UA @ lucian @ c:irua:121180 Serial 1247  
Permanent link to this record
 

 
Author Mooij, L.; Perkisas, T.; Palsson, G.; Schreuders, H.; Wolff, M.; Hjorvarsson, B.; Bals, S.; Dam, B. pdf  doi
openurl 
  Title The effect of microstructure on the hydrogenation of Mg/Fe thin film multilayers Type A1 Journal article
  Year 2014 Publication International journal of hydrogen energy Abbreviated Journal Int J Hydrogen Energ  
  Volume 39 Issue 30 Pages 17092-17103  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract Nanoconfined magnesium hydride can be simultaneously protected and thermodynamically destabilized when interfaced with materials such as Ti and Fe. We study the hydrogenation of thin layers of Mg (<14 nm) nanoconfined in one dimension within thin film Fe/Mg/Fe/Pd multilayers by the optical technique Hydrogenography. The hydrogenation of nanosized magnesium layers in Fe/Mg/Fe multilayers surprisingly shows the presence of multiple plateau pressures, whose nature is thickness dependent. In contrast, hydrogen desorption occurs via a single plateau which does not depend on the Mg layer thickness. From structural and morphological analyses with X-ray diffraction/reflectometry and cross-section TEM, we find that the Mg layer roughness is large when deposited on Fe and furthermore contains high-angle grain boundaries (GB's). When grown on Ti, the Mg layer roughness is low and no high-angle GB's are detected. From a Ti/Mg/Fe multilayer, in which the Mg layer is flat and has little or no GB's, we conclude that MgH2 is indeed destabilized by the interface with Fe. In this case, both the ab- and desorption plateau pressures are increased by a factor two compared to the hydrogenation of Mg within Ti/Mg/Ti multilayers. We hypothesize that the GB's in the Fe/Mg/Fe multilayer act as diffusion pathways for Pd, which is known to greatly alter the hydrogenation behavior of Mg when the two materials share an interface. Copyright (C) 2014, Hydrogen Energy Publications, LLC. Published by Elsevier Ltd. All rights reserved.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Oxford Editor  
  Language Wos (down) 000343839000031 Publication Date 2014-09-10  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0360-3199; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.582 Times cited 15 Open Access Not_Open_Access  
  Notes COST Action MP1103 Approved Most recent IF: 3.582; 2014 IF: 3.313  
  Call Number UA @ lucian @ c:irua:121175 Serial 3575  
Permanent link to this record
 

 
Author Pinera, I.; Cruz, C.M.; Leyva, A.; Abreu, Y.; Cabal, A.E.; van Espen, P.; Van Remortel, N. doi  openurl
  Title Improved calculation of displacements per atom cross section in solids by gamma and electron irradiation Type A1 Journal article
  Year 2014 Publication Interactions With Materials And Atoms Abbreviated Journal  
  Volume 339 Issue Pages 1-7  
  Keywords A1 Journal article; Engineering sciences. Technology; Particle Physics Group; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)  
  Abstract Several authors had estimated the displacements per atom cross sections under different approximations and models, including most of the main gamma- and electron-material interaction processes. These previous works used numerical approximation formulas which are applicable for limited energy ranges. We proposed the Monte Carlo assisted Classical Method (MCCM), which relates the established theories about atom displacements to the electron and positron secondary fluence distributions calculated from the Monte Carlo simulation. In this study the MCCM procedure is adapted in order to estimate the displacements per atom cross sections for gamma and electron irradiation. The results obtained through this procedure are compared with previous theoretical calculations. An improvement in about 10-90% for the gamma irradiation induced dpa cross section is observed in our results on regard to the previous evaluations for the studied incident energies. On the other hand, the dpa cross section values produced by irradiation with electrons are improved by our calculations in about 5-50% when compared with the theoretical approximations. When thin samples are irradiated with electrons, more precise results are obtained through the MCCM (in about 20-70%) with respect to the previous studies. (C) 2014 Elsevier B.V. All rights reserved.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos (down) 000343785500001 Publication Date 2014-09-15  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0168-583x 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:121161 Serial 8069  
Permanent link to this record
 

 
Author Huygh, S.; Bogaerts, A.; van Duin, A.C.T.; Neyts, E.C. pdf  url
doi  openurl
  Title Development of a ReaxFF reactive force field for intrinsic point defects in titanium dioxide Type A1 Journal article
  Year 2014 Publication Computational materials science Abbreviated Journal Comp Mater Sci  
  Volume 95 Issue Pages 579-591  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract A reactive ReaxFF force field is developed for studying the influence of intrinsic point defects on the chemistry with TiO2 condensed phases. The force field parameters are optimized to ab initio data for the equations of state, relative phase stabilities for titanium and titanium dioxide, potential energy differences for (TiO2)n-clusters (n = 116). Also data for intrinsic point defects in anatase were added. These data contain formation energies for interstitial titanium and oxygen vacancies, diffusion barriers of the oxygen vacancies and molecular oxygen adsorption on a reduced anatase (101) surface. Employing the resulting force field, we study the influence of concentration of oxygen vacancies and expansion or compression of an anatase surface on the diffusion of the oxygen vacancies. Also the barrier for oxygen diffusion in the subsurface region is evaluated using this force field. This diffusion barrier of 27.7 kcal/mol indicates that the lateral redistribution of oxygen vacancies on the surface and in the subsurface will be dominated by their diffusion in the subsurface, since both this barrier as well as the barriers for diffusion from the surface to the subsurface and vice versa (17.07 kcal/mol and 21.91 kcal/mol, respectively, as calculated with DFT), are significantly lower than for diffusion on the surface (61.12 kcal/mol as calculated with DFT).  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos (down) 000343781700077 Publication Date 2014-09-16  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0927-0256; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.292 Times cited 15 Open Access  
  Notes Approved Most recent IF: 2.292; 2014 IF: 2.131  
  Call Number UA @ lucian @ c:irua:119409 Serial 682  
Permanent link to this record
Select All    Deselect All
 |   | 
Details
   print

Save Citations:
Export Records: