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Author Shanenko, A.A.; Vagov, A.; Peeters, F.M.; Aguiar, J.A.
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 000344239200002 Publication Date 2014-07-03
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0921-4526; ISBN Additional Links (down) 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
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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.
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 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 (down) 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
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Author Ozaydin, H.D.; Sahin, H.; Senger, R.T.; Peeters, F.M.
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 000343873700015 Publication Date 2014-06-16
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0003-3804; ISBN Additional Links (down) 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
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Author Berdiyorov, G.R.; Milošević, M.V.; Savel'ev, S.; Kusmartsev, F.; Peeters, F.M.
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 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 (down) 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
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Author Mooij, L.; Perkisas, T.; Palsson, G.; Schreuders, H.; Wolff, M.; Hjorvarsson, B.; Bals, S.; Dam, B.
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 000343839000031 Publication Date 2014-09-10
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0360-3199; ISBN Additional Links (down) 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
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Author Pinera, I.; Cruz, C.M.; Leyva, A.; Abreu, Y.; Cabal, A.E.; van Espen, P.; Van Remortel, N.
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 000343785500001 Publication Date 2014-09-15
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0168-583x ISBN Additional Links (down) 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
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Author Nelen, D.; Manshoven, S.; Peeters, J.R.; Vanegas, P.; D'Haese, N.; Vrancken, K.
Title A multidimensional indicator set to assess the benefits of WEEE material recycling Type A1 Journal article
Year 2014 Publication Journal of cleaner production Abbreviated Journal
Volume 83 Issue Pages 305-316
Keywords A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL)
Abstract EU strategies for waste management have long recognized the key role of recycling to move towards sustainable consumption and production. This resulted in a range of regulatory measures, among which the Waste Electrical and Electronic Equipment (WEEE) directive, which sets weight-based targets for recovery, preparation for re-use and recycling. The increasing strategic relevance of the supply of raw materials has, however, spurred a more integrated approach towards resource efficiency. In addition to the prevention of disposal, recycling practices are now also meant to contribute to sustainable materials management by pursuing (i) a higher degree of material cycle closure, (ii) an improved recovery of strategically relevant materials, and (iii) the avoidance of environmental burdens associated with the extraction and refining of primary raw materials. In response to this evolution, this paper reports about the development of an indicator set that allows to quantitatively demonstrate these recycling benefits, hence going further than the weight-based objectives employed in the WEEE directive. The indicators can be calculated for WEEE recycling processes for which information is available on both input and output fractions. It offers a comprehensive framework that aims to support decision making processes on product design, to identify opportunities for the optimization of WEEE End-of-Life scenarios, and to assess the achieved (or expected) results of implemented (or planned) recycling optimization strategies. The paper is illustrated by a case study on the recycling of LCD televisions. (C) 2014 Elsevier Ltd. All rights reserved.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000343781500030 Publication Date 2014-07-11
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0959-6526 ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles
Impact Factor Times cited Open Access
Notes Approved no
Call Number UA @ admin @ c:irua:121160 Serial 7393
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Author Charkin, D.O.; Demchyna, R.; Prots, Y.; Borrmann, H.; Burkhardt, U.; Schwarz, U.; Schnelle, W.; Plokhikh, I.V.; Kazakov, S.M.; Abakumov, A.M.; Batuk, D.; Verchenko, V.Y.; Tsirlin, A.A.; Curfs, C.; Grin, Y.; Shevelkov, A.V.;
Title Two New Arsenides, Eu7Cu44As23 and Sr7Cu44As23, With a New Filled Variety of the BaHg11 Structure Type A1 Journal article
Year 2014 Publication Inorganic chemistry Abbreviated Journal Inorg Chem
Volume 53 Issue 20 Pages 11173-11184
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Two new ternary arsenides, namely, Eu7Cu44As23 and Sr7Cu44As23, were synthesized from elements at 800 degrees C. Their crystal structure represents a new filled version of the BaHg11 motif with cubic voids alternately occupied by Eu(Sr) and As atoms, resulting in a 2 x 2 x 2 superstructure of the aristotype: space group Fm (3) over barm, a = 16.6707(2) angstrom and 16.7467(2) angstrom, respectively. The Eu derivative exhibits ferromagnetic ordering below 17.5 K. In agreement with band structure calculations both compounds are metals, exhibiting relatively low thermopower, but high electrical and low thermal conductivity.
Address
Corporate Author Thesis
Publisher Place of Publication Easton, Pa Editor
Language Wos 000343527700049 Publication Date 2014-09-29
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0020-1669;1520-510X; ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles
Impact Factor 4.857 Times cited 9 Open Access
Notes Approved Most recent IF: 4.857; 2014 IF: 4.762
Call Number UA @ lucian @ c:irua:121141 Serial 3784
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Author Bertels, E.; Bruyninckx, K.; Kurttepeli; Smet, M.; Bals, S.; Goderis, B.
Title Highly Efficient Hyperbranched CNT Surfactants: Influence of Molar Mass and Functionalization Type A1 Journal article
Year 2014 Publication Langmuir: the ACS journal of surfaces and colloids Abbreviated Journal Langmuir
Volume 30 Issue 41 Pages 12200-12209
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract End-group-functionalized hyperbranched polymers were synthesized to act as a carbon nanotube (CNT) surfactant in aqueous solutions. Variation of the percentage of triphenylmethyl (trityl) functionalization and of the molar mass of the hyperbranched polyglycerol (PG) core resulted in the highest measured surfactant efficiency for a 5000 g/mol PG with 5.6% of the available hydroxyl end-groups replaced by trityl functions, as shown by UV-vis measurements. Semiempirical model calculations suggest an even higher efficiency for PG5000 with 2.5% functionalization and maximal molecule specific efficiency in general at low degrees of functionalization. Addition of trityl groups increases the surfactant-nanotube interactions in comparison to unfunctionalized PG because of pi-pi stacking interactions. However, at higher functionalization degrees mutual interactions between trityl groups come into play, decreasing the surfactant efficiency, while lack of water solubility becomes an issue at very high functionalization degrees. Low molar mass surfactants are less efficient compared to higher molar mass species most likely because the higher bulkiness of the latter allows for a better CNT separation and stabilization. The most efficient surfactant studied allowed dispersing 2.85 mg of CNT in 20 mL with as little as 1 mg of surfactant. These dispersions, remaining stable for at least 2 months, were mainly composed of individual CNTs as revealed by electron microscopy.
Address
Corporate Author Thesis
Publisher Place of Publication Washington, D.C. Editor
Language Wos 000343638800013 Publication Date 2014-09-23
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0743-7463;1520-5827; ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles
Impact Factor 3.833 Times cited 15 Open Access OpenAccess
Notes The authors gratefully acknowledge the SIM NanoForce programme for their financial support and thank the group of Prof. Thierry Verbiest, especially Maarten Bloemen, for the use of their UV−vis equipment. Bart Goderis and Mario Smet thank KU Leuven for financial support through a GOA project. Mert Kurttepeli and Sara Bals acknowledge funding from the European Research Council under the 7th Framework Program (FP7), ERC Starting Grant No. 335078 COLOURATOMS.; ECAS_Sara; (ROMEO:white; preprint:; postprint:restricted 12 months embargo; pdfversion:cannot); Approved Most recent IF: 3.833; 2014 IF: 4.457
Call Number UA @ lucian @ c:irua:121140 Serial 1471
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Author Battle, P.D.; Avdeev, M.; Hadermann, J.
Title The interplay of microstructure and magnetism in La3Ni2SbO9 Type A1 Journal article
Year 2014 Publication Journal of solid state chemistry Abbreviated Journal J Solid State Chem
Volume 220 Issue Pages 163-166
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract La3Ni2SbO9 adopts a perovskite-related structure in which the six-coordinate cation sites are occupied alternately by Ni2+ and a disordered arrangement of Ni2+/Sb5+. A polycrystalline sample has been studied by neutron diffraction in applied magnetic fields of 0 <= H/kOe <= 50 at 5 K. In 0 kOe, weak magnetic Bragg scattering consistent with the adoption of a G-type ferrimagnetic structure is observed; the ordered component of the magnetic moment was found to be 0.89(7) mu(B) per Ni2+ cation. This increased to 1.60(3) mu(B) in a field of 50 kOe. Transmission electron microscopy revealed variations in the Ni:Sb ratio across crystallites of the sample. It is proposed that these composition variations disrupt the magnetic superexchange interactions within the compound, leading to domain formation and a reduced average moment. The application of a magnetic field aligns the magnetisation vectors across the crystal and the average moment measured by neutron diffraction increases accordingly. The role played by variations in the local chemical composition in determining the magnetic properties invites comparison with the behaviour of relaxor ferroelectrics. (C) 2014 Elsevier Inc. All rights reserved.
Address
Corporate Author Thesis
Publisher Place of Publication London Editor
Language Wos 000343346100024 Publication Date 2014-09-01
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0022-4596; ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles
Impact Factor 2.299 Times cited 13 Open Access
Notes Approved Most recent IF: 2.299; 2014 IF: 2.133
Call Number UA @ lucian @ c:irua:121134 Serial 3588
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Author Neek-Amal, M.; Xu, P.; Schoelz, J.K.; Ackerman, M.L.; Barber, S.D.; Thibado, P.M.; Sadeghi, A.; Peeters, F.M.
Title Thermal mirror buckling in freestanding graphene locally controlled by scanning tunnelling microscopy Type A1 Journal article
Year 2014 Publication Nature communications Abbreviated Journal Nat Commun
Volume 5 Issue Pages 4962
Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
Abstract Knowledge of and control over the curvature of ripples in freestanding graphene are desirable for fabricating and designing flexible electronic devices, and recent progress in these pursuits has been achieved using several advanced techniques such as scanning tunnelling microscopy. The electrostatic forces induced through a bias voltage (or gate voltage) were used to manipulate the interaction of freestanding graphene with a tip (substrate). Such forces can cause large movements and sudden changes in curvature through mirror buckling. Here we explore an alternative mechanism, thermal load, to control the curvature of graphene. We demonstrate thermal mirror buckling of graphene by scanning tunnelling microscopy and large-scale molecular dynamic simulations. The negative thermal expansion coefficient of graphene is an essential ingredient in explaining the observed effects. This new control mechanism represents a fundamental advance in understanding the influence of temperature gradients on the dynamics of freestanding graphene and future applications with electro-thermal-mechanical nanodevices.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000342984800018 Publication Date 2014-09-17
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2041-1723; ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles
Impact Factor 12.124 Times cited 36 Open Access
Notes ; Financial support for this study was provided, in part, by the Office of Naval Research under grant N00014-10-1-0181, the National Science Foundation under grant DMR-0855358, the EU-Marie Curie IIF postdoc Fellowship/299855 (for M. N.-A.), the ESF-EuroGRAPHENE project CONGRAN, the Flemish Science Foundation (FWO-Vl) and the Methusalem Foundation of the Flemish Government. M.N.-A. has also been supported partially by BOF project of University of Antwerp number 28033. ; Approved Most recent IF: 12.124; 2014 IF: 11.470
Call Number UA @ lucian @ c:irua:121121 Serial 3628
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Author Milovanović, S.P.; Masir, M.R.; Peeters, F.M.
Title Interplay between snake and quantum edge states in a graphene Hall bar with a pn-junction Type A1 Journal article
Year 2014 Publication Applied physics letters Abbreviated Journal Appl Phys Lett
Volume 105 Issue 12 Pages 123507
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract The magneto- and Hall resistance of a locally gated cross shaped graphene Hall bar is calculated. The edge of the top gate is placed diagonally across the center of the Hall cross. Four-probe resistance is calculated using the Landauer-Büttiker formalism, while the transmission coefficients are obtained using the non-equilibrium Green's function approach. The interplay between transport due to edge channels and snake states is investigated. When two edge channels are occupied, we predict oscillations in the Hall and the bend resistance as function of the magnetic field, which are a consequence of quantum interference between the occupied snake states.
Address
Corporate Author Thesis
Publisher American Institute of Physics Place of Publication New York, N.Y. Editor
Language Wos 000343004400090 Publication Date 2014-09-27
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0003-6951;1077-3118; ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles
Impact Factor 3.411 Times cited 18 Open Access
Notes This work was supported by the Flemish Science Foundation (FWO-Vl), the European Science Foundation (ESF) under the EUROCORES Program EuroGRAPHENE within the project CONGRAN and the Methusalem Foundation of the Flemish government. Approved Most recent IF: 3.411; 2014 IF: 3.302
Call Number UA @ lucian @ c:irua:121119 Serial 1704
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Author Malo, S.; Abakumov, A.M.; Daturi, M.; Pelloquin, D.; Van Tendeloo, G.; Guesdon, A.; Hervieu, M.
Title Sr21Bi8Cu2(CO3)(2)O-41, a Bi5+ Oxycarbonate with an Original 10L Structure Type A1 Journal article
Year 2014 Publication Inorganic chemistry Abbreviated Journal Inorg Chem
Volume 53 Issue 19 Pages 10266-10275
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract The layered structure of Sr21Bi8Cu2(CO3)(2)O-41 (Z = 2) was determined by transmission electron microscopy, infrared spectroscopy, and powder X-ray diffraction refinement in space group P6(3)/mcm (No. 194), with a = 10.0966(3)angstrom and c = 26.3762(5)angstrom. This original 10L-type structure is built from two structural blocks, namely, [Sr15Bi6Cu2(CO3)O-29] and [Sr6Bi2(CO3)O-12]. The Bi5+ cations form [Bi2O10] dimers, whereas the Cu2+ and C atoms occupy infinite tunnels running along (c) over right arrow. The nature of the different blocks and layers is discussed with regard to the existing hexagonal layered compounds. Sr21Bi8Cu2(CO3)(2)O-41 is insulating and paramagnetic.
Address
Corporate Author Thesis
Publisher Place of Publication Easton, Pa Editor
Language Wos 000342856800039 Publication Date 2014-10-06
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0020-1669;1520-510X; ISBN Additional Links (down) UA library record; WoS full record
Impact Factor 4.857 Times cited Open Access
Notes Approved Most recent IF: 4.857; 2014 IF: 4.762
Call Number UA @ lucian @ c:irua:121115 Serial 3114
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Author Ban, V.; Soloninin, A.V.; Skripov, A.V.; Hadermann, J.; Abakumov, A.; Filinchuk, Y.
Title Pressure-Collapsed Amorphous Mg(BH4)(2): An Ultradense Complex Hydride Showing a Reversible Transition to the Porous Framework Type A1 Journal article
Year 2014 Publication The journal of physical chemistry: C : nanomaterials and interfaces Abbreviated Journal J Phys Chem C
Volume 118 Issue 40 Pages 23402-23408
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract Hydrogen-storage properties of complex hydrides depend of their form, such as a polymorphic form or an eutectic mixture. This Paper reports on an easy and reproducible way to synthesize a new stable form of magnesium borohydride by pressure-induced collapse of the porous gamma-Mg(BH4)(2). This amorphous complex hydride was investigated by temperature-programmed synchrotron X-ray diffraction (SXRD), transmission electron microscopy (TEM), thermogravimetric analysis, differential scanning calorimetry analysis, and Raman spectroscopy, and the dynamics of the BH4 reorientation was studied by spinlattice relaxation NMR spectroscopy. No long-range order is observed in the lattice region by Raman spectroscopy, while the internal vibration modes of the BH4 groups are the same as in the crystalline state. A hump at 4.9 angstrom in the SXRD pattern suggests the presence of nearly linear MgBH4 Mg fragments constituting all the known crystalline polymorphs of Mg(BH4)(2), which are essentially frameworks built of tetrahedral Mg nodes and linear BH4 linkers. TEM shows that the pressure-collapsed phase is amorphous down to the nanoscale, but surprisingly, SXRD reveals a transition at similar to 90 degrees C from the dense amorphous state (density of 0.98 g/cm(3)) back to the porous ? phase having only 0.55 g/cm(3) crystal density. The crystallization is slightly exothermic, with the enthalpy of -4.3 kJ/mol. The volumetric hydrogen density of the amorphous form is 145 g/L, one of the highest among hydrides. Remarkably, this form of Mg(BH4)2 has different reactivity compared to the crystalline forms. The parameters of the reorientational motion of BH4 groups in the amorphous Mg(BH4)(2) found from NMR measurements differ significantly from those in the known crystalline forms. The behavior of the nuclear spinlattice relaxation rates can be described in terms of a Gaussian distribution of the activation energies centered on 234 +/- 9 meV with the dispersion of 100 +/- 10 meV.
Address
Corporate Author Thesis
Publisher Place of Publication Washington, D.C. Editor
Language Wos 000343016800067 Publication Date 2014-09-26
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1932-7447;1932-7455; ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles
Impact Factor 4.536 Times cited 23 Open Access
Notes Approved Most recent IF: 4.536; 2014 IF: 4.772
Call Number UA @ lucian @ c:irua:121113 Serial 2711
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Author Javon, E.; Lubk; Cours, R.; Reboh, S.; Cherkashin, N.; Houdellier, F.; Gatel, C.; Hytch, M.J.
Title Dynamical effects in strain measurements by dark-field electron holography Type A1 Journal article
Year 2014 Publication Ultramicroscopy Abbreviated Journal Ultramicroscopy
Volume 147 Issue Pages 70-85
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Here, we study the effect of dynamic scattering on the projected geometric phase and strain maps reconstructed using dark-field electron holography (DFEH) for non-uniformly strained crystals. The investigated structure consists of a {SiGe/Si} superlattice grown on a (001)-Si substrate. The three dimensional strain held within the thin TEM lamella is modelled by the finite element method. The observed projected strain is simulated in two ways by multiplying the strain at each depth in the crystal by a weighting function determined from a recently developed analytical two-beam dynamical theory, and by simply taking the average value. We demonstrate that the experimental results need to be understood in terms of the dynamical theory and good agreement is found between the experimental and simulated results. Discrepancies do remain for certain cases and are likely to be from an imprecision in the actual two-beam diffraction conditions, notably the deviation parameter, and points to limitations in the 2-beam approximation. Finally, a route towards a 3D reconstruction of strain fields is proposed. (C) 2014 Elsevier B.V. All rights reserved.
Address
Corporate Author Thesis
Publisher Place of Publication Amsterdam Editor
Language Wos 000343157400009 Publication Date 2014-07-02
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0304-3991; ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles
Impact Factor 2.843 Times cited 10 Open Access
Notes Approved Most recent IF: 2.843; 2014 IF: 2.436
Call Number UA @ lucian @ c:irua:121108 Serial 769
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Author Chizhov, A.S.; Rumyantseva, M.N.; Vasiliev, R.B.; Filatova, D.G.; Drozdov, K.A.; Krylov, I.V.; Abakumov, A.M.; Gaskov, A.M.
Title Visible light activated room temperature gas sensors based on nanocrystalline ZnO sensitized with CdSe quantum dots Type A1 Journal article
Year 2014 Publication Sensors and actuators : B : chemical Abbreviated Journal Sensor Actuat B-Chem
Volume 205 Issue Pages 305-312
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract This work reports the study of photoconductivity and visible light activated room temperature gas sensors properties of nanocrystalline ZnO thick films sensitized with colloidal CdSe quantum dots (QDs). Nanocrystalline zinc oxide (ZnO) was synthesized by the precipitation method. Colloidal CdSe quantum dots were obtained by high temperature colloidal synthesis. Sensitization was effectuated by three different procedures including direct adsorption of CdSe QDs stabilized with oleic acid on ZnO surface, anchoring to the ZnO surface through a bifunctional molecule of mercaptopropionic acid (MPA), and coating of CdSe QDs with a monolayer of MPA with subsequent adsorption on ZnO surface. Sensor measurements demonstrated that obtained QD CdSe/ZnO nanocomposites can be used for NO2 detection under visible (green) light illumination at room temperature without any thermal heating. (C) 2014 Elsevier B.V. All rights reserved.
Address
Corporate Author Thesis
Publisher Place of Publication Lausanne Editor
Language Wos 000343117600041 Publication Date 2014-09-06
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0925-4005; ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles
Impact Factor 5.401 Times cited 36 Open Access
Notes Approved Most recent IF: 5.401; 2014 IF: 4.097
Call Number UA @ lucian @ c:irua:121107 Serial 3848
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Author Engelmann, Y.; Bogaerts, A.; Neyts, E.C.
Title Thermodynamics at the nanoscale : phase diagrams of nickel-carbon nanoclusters and equilibrium constants for face transitions Type A1 Journal article
Year 2014 Publication Nanoscale Abbreviated Journal Nanoscale
Volume 6 Issue Pages 11981-11987
Keywords A1 Journal article; PLASMANT
Abstract Using reactive molecular dynamics simulations, the melting behavior of nickelcarbon nanoclusters is examined. The phase diagrams of icosahedral and Wulff polyhedron clusters are determined using both the Lindemann index and the potential energy. Formulae are derived for calculating the equilibrium constants and the solid and liquid fractions during a phase transition, allowing more rational determination of the melting temperature with respect to the arbitrary Lindemann value. These results give more insight into the properties of nickelcarbon nanoclusters in general and can specifically be very useful for a better understanding of the synthesis of carbon nanotubes using the catalytic chemical vapor deposition method.
Address
Corporate Author Thesis
Publisher Place of Publication Cambridge Editor
Language Wos 000343000800049 Publication Date 2014-07-24
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2040-3364;2040-3372; ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles
Impact Factor 7.367 Times cited 20 Open Access
Notes Approved Most recent IF: 7.367; 2014 IF: 7.394
Call Number UA @ lucian @ c:irua:119408 Serial 3636
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Author Engelmann; Bogaerts, A.; Neyts, E.C.
Title Thermodynamics at the nanoscale: phase diagrams of nickel-carbon nanoclusters and equilibrium constants for phase transitions Type A1 Journal article
Year 2014 Publication Nanoscale Abbreviated Journal Nanoscale
Volume 6 Issue 20 Pages 11981-11987
Keywords A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract Using reactive molecular dynamics simulations, the melting behavior of nickel-carbon nanoclusters is examined. The phase diagrams of icosahedral and Wulff polyhedron clusters are determined using both the Lindemann index and the potential energy. Formulae are derived for calculating the equilibrium constants and the solid and liquid fractions during a phase transition, allowing more rational determination of the melting temperature with respect to the arbitrary Lindemann value. These results give more insight into the properties of nickel-carbon nanoclusters in general and can specifically be very useful for a better understanding of the synthesis of carbon nanotubes using the catalytic chemical vapor deposition method.
Address
Corporate Author Thesis
Publisher Place of Publication Cambridge Editor
Language Wos 000343000800049 Publication Date 2014-07-24
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2040-3364;2040-3372; ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles
Impact Factor 7.367 Times cited 20 Open Access
Notes Approved Most recent IF: 7.367; 2014 IF: 7.394
Call Number UA @ lucian @ c:irua:121106 Serial 3637
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Author Sen, H.S.; Sahin, H.; Peeters, F.M.; Durgun, E.
Title Monolayers of MoS2 as an oxidation protective nanocoating material Type A1 Journal article
Year 2014 Publication Journal of applied physics Abbreviated Journal J Appl Phys
Volume 116 Issue 8 Pages 083508
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract First-principle calculations are employed to investigate the interaction of oxygen with ideal and defective MoS2 monolayers. Our calculations show that while oxygen atoms are strongly bound on top of sulfur atoms, the oxygen molecule only weakly interacts with the surface. The penetration of oxygen atoms and molecules through a defect-free MoS2 monolayer is prevented by a very high diffusion barrier indicating that MoS2 can serve as a protective layer for oxidation. The analysis is extended to WS2 and similar coating characteristics are obtained. Our calculations indicate that ideal and continuous MoS2 and WS2 monolayers can improve the oxidation and corrosion-resistance of the covered surface and can be considered as an efficient nanocoating material. (C) 2014 Author(s). All article content, except where otherwise noted, is licensed under a Creative Commons Attribution 3.0 Unported License.
Address
Corporate Author Thesis
Publisher American Institute of Physics Place of Publication New York, N.Y. Editor
Language Wos 000342821600017 Publication Date 2014-08-27
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0021-8979;1089-7550; ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles
Impact Factor 2.068 Times cited 52 Open Access
Notes ; This work was supported by the bilateral project between TUBITAK (through Grant No. 113T050) and Flemish Science Foundation (FWO-Vl). The calculations were performed at TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure). E.D. acknowledges support from Bilim Akademisi-The Science Academy, Turkey under the BAGEP program. H.S. is supported by an FWO Pegasus-long Marie Curie Fellowship. ; Approved Most recent IF: 2.068; 2014 IF: 2.183
Call Number UA @ lucian @ c:irua:121101 Serial 2194
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Author Bals, S.; Goris, B.; Liz-Marzan, L.M.; Van Tendeloo, G.
Title Three-dimensional characterization of noble-metal nanoparticles and their assemblies by electron tomography Type A1 Journal article
Year 2014 Publication Angewandte Chemie: international edition in English Abbreviated Journal Angew Chem Int Edit
Volume 53 Issue 40 Pages 10600-10610
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract New developments in the field of nanomaterials drive the need for quantitative characterization techniques that yield information down to the atomic scale. In this Review, we focus on the three-dimensional investigations of metal nanoparticles and their assemblies by electron tomography. This technique has become a versatile tool to understand the connection between the properties and structure or composition of nanomaterials. The different steps of an electron tomography experiment are discussed and we show how quantitative three-dimensional information can be obtained even at the atomic scale.
Address
Corporate Author Thesis
Publisher Place of Publication Weinheim Editor
Language Wos 000342761500006 Publication Date 2014-08-11
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1433-7851; ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles
Impact Factor 11.994 Times cited 58 Open Access OpenAccess
Notes 267867 Plasmaquo; 246791 Countatoms; 335078 Colouratom; 262348 Esmi; Fwo; ECAS_Sara; (ROMEO:yellow; preprint:; postprint:restricted ; pdfversion:cannot); Approved Most recent IF: 11.994; 2014 IF: 11.261
Call Number UA @ lucian @ c:irua:121093 Serial 3646
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Author Proost, J.; Blaffart, F.; Turner, S.; Idrissi, H.
Title On the Origin of Damped Electrochemical Oscillations at Silicon Anodes (Revisited) Type A1 Journal article
Year 2014 Publication ChemPhysChem : a European journal of chemical physics and physical chemistry Abbreviated Journal Chemphyschem
Volume 15 Issue 14 Pages 3116-3124
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Electrochemical oscillations accompanying the formation of anodic silica have been shown in the past to be correlated with rather abrupt changes in the mechanical stress state of the silica film, commonly associated with some kind of fracture or porosification of the oxide. To advance the understanding on the origin of such oscillations in fluoride-free electrolytes, we have revisited a seminal experiment reported by Lehmann almost two decades ago. We thereby demonstrate that the oscillations are not stress-induced, and do not originate from a morphological transformation of the oxide in the course of anodisation. Alternatively, the mechanical features accompanying the oscillations can be explained by a partial relaxation of the field-induced electrostrictive stress. Furthermore, our observations suggest that the oscillation mechanism more likely results from a periodic depolarisation of the anodic silica.
Address
Corporate Author Thesis
Publisher Place of Publication Weinheim Editor
Language Wos 000342770500029 Publication Date 2014-08-27
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1439-4235; ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles
Impact Factor 3.075 Times cited 5 Open Access
Notes Approved Most recent IF: 3.075; 2014 IF: 3.419
Call Number UA @ lucian @ c:irua:121086 Serial 2444
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Author Spyrou, K.; Potsi, G.; Diamanti, E.K.; Ke, X.; Serestatidou, E.; Verginadis, I.I.; Velalopoulou, A.P.; Evangelou, A.M.; Deligiannakis, Y.; Van Tendeloo, G.; Gournis, D.; Rudolf, P.;
Title Towards Novel Multifunctional Pillared Nanostructures: Effective Intercalation of Adamantylamine in Graphene Oxide and Smectite Clays Type A1 Journal article
Year 2014 Publication Advanced functional materials Abbreviated Journal Adv Funct Mater
Volume 24 Issue 37 Pages 5841-5850
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract Multifunctional pillared materials are synthesized by the intercalation of cage-shaped adamantylamine (ADMA) molecules into the interlayer space of graphite oxide (GO) and aluminosilicate clays. The physicochemical and structural properties of these hybrids, determined by X-ray diffraction (XRD), Fourier transform infrared (FTIR), Raman and X-ray photoemission (XPS) spectroscopies and transmission electron microscopy (TEM) show that they can serve as tunable hydrophobic/hydrophilic and stereospecific nanotemplates. Thus, in ADMA-pillared clay hybrids, the phyllomorphous clay provides a hydrophilic nanoenvironment where the local hydrophobicity is modulated by the presence of ADMA moieties. On the other hand, in the ADMA-GO hybrid, both the aromatic rings of GO sheets and the ADMA molecules define a hydrophobic nanoenvironment where sp(3)-oxo moieties (epoxy, hydroxyl and carboxyl groups), present on GO, modulate hydrophilicity. As test applications, these pillared nanostructures are capable of selective/stereospecific trapping of small chlorophenols or can act as cytotoxic agents.
Address
Corporate Author Thesis
Publisher Place of Publication Weinheim Editor
Language Wos 000342794500008 Publication Date 2014-07-19
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1616-301X; ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles
Impact Factor 12.124 Times cited 19 Open Access
Notes Approved Most recent IF: 12.124; 2014 IF: 11.805
Call Number UA @ lucian @ c:irua:121085 Serial 3686
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Author Bal, K.M.; Neyts, E.C.
Title On the time scale associated with Monte Carlo simulations Type A1 Journal article
Year 2014 Publication The journal of chemical physics Abbreviated Journal J Chem Phys
Volume 141 Issue 20 Pages 204104
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract Uniform-acceptance force-bias Monte Carlo (fbMC) methods have been shown to be a powerful technique to access longer timescales in atomistic simulations allowing, for example, phase transitions and growth. Recently, a new fbMC method, the time-stamped force-bias Monte Carlo (tfMC) method, was derived with inclusion of an estimated effective timescale; this timescale, however, does not seem able to explain some of the successes the method. In this contribution, we therefore explicitly quantify the effective timescale tfMC is able to access for a variety of systems, namely a simple single-particle, one-dimensional model system, the Lennard-Jones liquid, an adatom on the Cu(100) surface, a silicon crystal with point defects and a highly defected graphene sheet, in order to gain new insights into the mechanisms by which tfMC operates. It is found that considerable boosts, up to three orders of magnitude compared to molecular dynamics, can be achieved for solid state systems by lowering of the apparent activation barrier of occurring processes, while not requiring any system-specific input or modifications of the method. We furthermore address the pitfalls of using the method as a replacement or complement of molecular dynamics simulations, its ability to explicitly describe correct dynamics and reaction mechanisms, and the association of timescales to MC simulations in general.
Address
Corporate Author Thesis
Publisher Place of Publication New York, N.Y. Editor
Language Wos 000345641400005 Publication Date 2014-11-26
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0021-9606;1089-7690; ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles
Impact Factor 2.965 Times cited 26 Open Access
Notes Approved Most recent IF: 2.965; 2014 IF: 2.952
Call Number UA @ lucian @ c:irua:120667 Serial 2459
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Author Buczyńska, A.J.; Geypens, B.; Van Grieken, R.; De Wael, K.
Title Optimization of sample clean-up for the GC-C-IRMS and GC-IT-MS analysis of PAHs from air particulate matter Type A1 Journal article
Year 2015 Publication Microchemical journal Abbreviated Journal Microchem J
Volume 119 Issue Pages 83-92
Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Abstract The optimization of sample clean-up for the analysis of air particulate matter PAHs stable carbon isotope ratio using Solid Phase Extraction (SPE) cartridges is described in this paper. Various adsorbents, such as silica gel, alumina, florisil, commercially available for sample purification were compared. Best performance for the clean-up of 24-h air particulate matter samples was obtained with activated silica-gel columns in terms of selectivity and reproducibility. One step clean-up was optimized for concentration determination and in case of co-elutions, a second step was additionally used for carbon isotope ratio analysis. The method was subsequently validated with standard reference material and was checked for carbon isotope fractionation artefacts. No significant differences in δ13C values were found for unprocessed solutions of PAHs and solution subjected to the extraction and purification procedure. The procedure was tested on air particulate matter samples collected in three different locations in Belgium. Statistically significant differences in carbon isotope ratio of PAHs between Borgerhout location and Zelzate or Gent were noticed, confirming the differences in distribution and diagnostic ratios found during the concentration analyses and different PAH sources in these locations. The results, therefore, seem very promising for the use of δ13C of PAHs as an additional information helpful in source identification of these pollutants
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000348957800013 Publication Date 2014-11-01
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0026-265x; 0026-265x ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles
Impact Factor 3.034 Times cited 7 Open Access
Notes ; ; Approved Most recent IF: 3.034; 2015 IF: 2.746
Call Number UA @ admin @ c:irua:120641 Serial 5759
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Author Anaf, W.; Bencs, L.; Van Grieken, R.; Janssens, K.; De Wael, K.
Title Indoor particulate matter in four Belgian heritage sites : case studies on the deposition of dark-colored and hygroscopic particles Type A1 Journal article
Year 2015 Publication The science of the total environment Abbreviated Journal Sci Total Environ
Volume 506 Issue Pages 361-368
Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Abstract Atmospheric total suspended particulate (TSP) was passively sampled by means of deployed horizontal and vertical filters in various rooms of four Belgian cultural heritage buildings, installed with various heating/ventilation systems. Soiling/blackening and deposition of inorganic, water-soluble aerosol components were considered. The extent of soiling was determined by means of two independent methods: (1) in terms of the covering rate of the samplers by optical reflection microscopy and (2) the reduction in lightness of the samplers using the CIE L*a*b* color space by spectrophotometry. A fairly good correlation was found between both methods. The inorganic composition of the deposited water-soluble TSP was quantified by means of ion chromatography. Compared to controlled environments, uncontrolled environments showed increased water-soluble aerosol content of the total deposited mass. Higher chloride deposition was observed on horizontal surfaces, compared to vertical surfaces.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000347576800039 Publication Date 2014-11-24
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0048-9697 ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles
Impact Factor 4.9 Times cited 12 Open Access
Notes ; ; Approved Most recent IF: 4.9; 2015 IF: 4.099
Call Number UA @ admin @ c:irua:120640 Serial 5662
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Author Chemchuen, S.; Zhou, K.; Kabir, N.A.; Chen, Y.; Ke, X.; Van Tendeloo, G.; Verpoort, F.
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 000345185200030 Publication Date 2014-09-20
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1387-1811; ISBN Additional Links (down) 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
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Author Lu, J.; Martinez, G.T.; Van Aert, S.; Schryvers, D.
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 000344360000009 Publication Date 2014-03-31
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0370-1972; ISBN Additional Links (down) 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
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Author Wang, X.; Kustov, S.; Li, K.; Schryvers, D.; Verlinden, B.; Van Humbeeck, J.
Title Effect of nanoprecipitates on the transformation behavior and functional properties of a Ti50.8 at.% Ni alloy with micron-sized grains Type A1 Journal article
Year 2015 Publication Acta materialia Abbreviated Journal Acta Mater
Volume 82 Issue 82 Pages 224-233
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract In order to take advantage of both grain refinement and precipitation hardening effects, nanoscaled Ni4Ti3 precipitates are introduced in a Ti50.8 at.% Ni alloy with micron-sized grains (average grain size of 1.7 μm). Calorimetry, electrical resistance studies and thermomechanical tests were employed to study the transformation behavior and functional properties in relation to the obtained microstructure. A significant suppression of martensite transformation by the obtained microstructure is observed. The thermomechanical tests show that the advantageous properties of both grain refinement and precipitation hardening are combined in the developed materials, resulting in superior shape memory characteristics and stability of pseudoelasticity. It is concluded that introducing nanoscaled Ni4Ti3 precipitates into small grains is a new approach to improve the functional properties of NiTi shape memory alloys.
Address
Corporate Author Thesis
Publisher Place of Publication Oxford Editor
Language Wos 000347017800021 Publication Date 2014-10-04
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1359-6454; ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles
Impact Factor 5.301 Times cited 51 Open Access
Notes Fwo Approved Most recent IF: 5.301; 2015 IF: 4.465
Call Number c:irua:120469 Serial 824
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Author Bekaert, J.; Saniz, R.; Partoens, B.; Lamoen, D.
Title Native point defects in CuIn1-xGaxSe2 : hybrid density functional calculations predict the origin of p- and n-type conductivity Type A1 Journal article
Year 2014 Publication Physical chemistry, chemical physics Abbreviated Journal Phys Chem Chem Phys
Volume 16 Issue 40 Pages 22299-22308
Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)
Abstract We have performed a first-principles study of the p- and n-type conductivity in CuIn1−xGaxSe2 due to native point defects, based on the HSE06 hybrid functional. Band alignment shows that the band gap becomes larger with x due to the increasing conduction band minimum, rendering it hard to establish n-type conductivity in CuGaSe2. From the defect formation energies, we find that In/GaCu is a shallow donor, while VCu, VIn/Ga and CuIn/Ga act as shallow acceptors. Using the total charge neutrality of ionized defects and intrinsic charge carriers to determine the Fermi level, we show that under In-rich growth conditions InCu causes strongly n-type conductivity in CuInSe2. Under increasingly In-poor growth conditions, the conductivity type in CuInSe2 alters to p-type and compensation of the acceptors by InCu reduces, as also observed in photoluminescence experiments. In CuGaSe2, the native acceptors pin the Fermi level far away from the conduction band minimum, thus inhibiting n-type conductivity. On the other hand, CuGaSe2 shows strong p-type conductivity under a wide range of Ga-poor growth conditions. Maximal p-type conductivity in CuIn1−xGaxSe2 is reached under In/Ga-poor growth conditions, in agreement with charge concentration measurements on samples with In/Ga-poor stoichiometry, and is primarily due to the dominant acceptor CuIn/Ga.
Address
Corporate Author Thesis
Publisher Place of Publication Cambridge Editor
Language Wos 000343072800042 Publication Date 2014-09-05
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1463-9076;1463-9084; ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles
Impact Factor 4.123 Times cited 43 Open Access
Notes ; We gratefully acknowledge financial support from the science fund FWO-Flanders through project G.0150.13. The first-principles calculations have been carried out on the HPC infrastructure of the University of Antwerp (CalcUA), a division of the Flemish Supercomputer Centre (VSC), supported financially by the Hercules foundation and the Flemish Government (EWI Department). We also like to thank Prof. S. Siebentritt of the University of Luxembourg for a presentation of her work on GIGS during a visit to our research group and for helpful discussions of our results. ; Approved Most recent IF: 4.123; 2014 IF: 4.493
Call Number UA @ lucian @ c:irua:120465 Serial 2284
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Author Jiang, W.; Zhang, Y.; Bogaerts, A.
Title Numerical characterization of local electrical breakdown in sub-micrometer metallized film capacitors Type A1 Journal article
Year 2014 Publication New journal of physics Abbreviated Journal New J Phys
Volume 16 Issue Pages 113036
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract In metallized film capacitors, there exists an air gap of about 0.2 μm between the films, with a pressure ranging generally from 130 atm. Because of the created potential difference between the two films, a microdischarge is formed in this gap. In this paper, we use an implicit particle-in-cell Monte Carlo collision simulation method to study the discharge properties in this direct-current microdischarge with 0.2 μm gap in a range of different voltages and pressures. The discharge process is significantly different from a conventional high pressure discharge. Indeed, the high electric field due to the small gap sustains the discharge by field emission. At low applied voltage (~15 V), only the electrons are generated by field emission, while both electrons and ions are generated as a stable glow discharge at medium applied voltage (~50 V). At still higher applied voltage (~100 V), the number of electrons and ions rapidly multiplies, the electric field reverses, and the discharge changes from a glow to an arc regime.
Address
Corporate Author Thesis
Publisher Place of Publication Bristol Editor
Language Wos 000346763400006 Publication Date 2014-11-15
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1367-2630; ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles
Impact Factor 3.786 Times cited Open Access
Notes Approved Most recent IF: 3.786; 2014 IF: 3.558
Call Number UA @ lucian @ c:irua:120455 Serial 2393
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