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Author Bekaert, J.; Bignardi, L.; Aperis, A.; van Abswoude, P.; Mattevi, C.; Gorovikov, S.; Petaccia, L.; Goldoni, A.; Partoens, B.; Oppeneer, P.M.; Peeters, F.M.; Milošević, M.V.; Rudolf, P.; Cepek, C.
  Title Free surfaces recast superconductivity in few-monolayer MgB2 : combined first-principles and ARPES demonstration Type A1 Journal article
  Year (up) 2017 Publication Scientific reports Abbreviated Journal Sci Rep-Uk
  Volume 7 Issue Pages 14458
  Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
  Abstract <script type='text/javascript'>document.write(unpmarked('Two-dimensional materials are known to harbour properties very different from those of their bulk counterparts. Recent years have seen the rise of atomically thin superconductors, with a caveat that superconductivity is strongly depleted unless enhanced by specific substrates, intercalants or adatoms. Surprisingly, the role in superconductivity of electronic states originating from simple free surfaces of two-dimensional materials has remained elusive to date. Here, based on first-principles calculations, anisotropic Eliashberg theory, and angle-resolved photoemission spectroscopy (ARPES), we show that surface states in few-monolayer MgB2 make a major contribution to the superconducting gap spectrum and density of states, clearly distinct from the widely known, bulk-like sigma-and pi-gaps. As a proof of principle, we predict and measure the gap opening on the magnesium-based surface band up to a critical temperature as high as similar to 30 K for merely six monolayers thick MgB2. These findings establish free surfaces as an unavoidable ingredient in understanding and further tailoring of superconductivity in atomically thin materials.'));
  Address
  Corporate Author Thesis
  Publisher Nature Publishing Group Place of Publication London Editor
  Language Wos 000414231000059 Publication Date 2017-10-25
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2045-2322 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 4.259 Times cited 27 Open Access
  Notes ; This work was supported by TOPBOF-UAntwerp, Research Foundation Flanders (FWO), the Foundation for Fundamental Research on Matter (FOM)-part of the Netherlands Organisation for Scientific Research, the Swedish Research Council (VR) and the Rontgen-Angstrom Cluster. P.v.A. acknowledges an Ubbo Emmius fellowship for his PhD studies. The computational resources and services used for the first-principles calculations in this work were provided by the VSC (Flemish Supercomputer Center), funded by the Research Foundation Flanders (FWO) and the Flemish Government – department EWI. Eliashberg theory calculations were supported through the Swedish National Infrastructure for Computing (SNIC). We thank D. Lonza for technical assistance in the experimental part. ; Approved Most recent IF: 4.259
  Call Number UA @ lucian @ c:irua:147426 Serial 4875
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Author Kertik, A.; Wee, L.H.; Pfannmöller, M.; Bals, S.; Martens, J.A.; Vankelecom, I.F.J.
  Title Highly selective gas separation membrane using in situ amorphised metal-organic frameworks Type A1 Journal article
  Year (up) 2017 Publication Energy & environmental science Abbreviated Journal Energ Environ Sci
  Volume 10 Issue 10 Pages 2342-2351
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
  Abstract Conventional carbon dioxide (CO2) separation in the petrochemical industry via cryogenic distillation is energy intensive and environmentally unfriendly. Alternatively, polymer membrane-based separations are of significant interest owing to low production cost, low-energy consumption and ease of upscaling. However, the implementation of commercial polymeric membranes is limited by their permeability and selectivity trade-off and the insufficient thermal and chemical stability. Herein, a novel type of amorphous mixed matrix membrane (MMM) able to separate CO2/CH4 mixtures with the highest selectivities ever reported for MOF based MMMs is presented. The MMM consists of an amorphised metal-organic framework (MOF) dispersed in an oxidatively cross-linked matrix achieved by fine tuning of the thermal treatment temperature in air up to 350 degrees C which drastically boosts the separation properties of the MMM. Thanks to the protection of the surrounding polymer, full oxidation of this MOF (i.e. ZIF-8) is prevented, and amorphisation of the MOF is realized instead, thus in situ creating a molecular sieve network. In addition, the treatment also improves the filler-polymer adhesion and induces an oxidative cross-linking of the polyimide matrix, resulting in MMMs with increased stability or plasticization resistance at high pressure up to 40 bar, marking a new milestone as new molecular sieve MOF MMMs for challenging natural gas purification applications. A new field for the use of amorphised MOFs and a variety of separation opportunities for such MMMs are thus opened.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000414774500007 Publication Date 2017-08-09
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1754-5692; 1754-5706 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 29.518 Times cited 122 Open Access OpenAccess
  Notes ; A.K. acknowledges financial support from the Erasmus-Mundus Doctorate in Membrane Engineering (EUDIME) Programme. L.H.W. thanks the FWO-Vlaanderen for a postdoctoral research fellowship (12M1415N). M. P. acknowledges financial support by the FP7 European project SUNFLOWER (FP7 #287594). S. B. acknowledges financial support from European Research Council (ERC Starting Grant # 335078-COLOURATOMS). J. A. M. gratefully acknowledges financial supports from the Flemish Government for long-term Methusalem funding. J. A. M. and I. F. J. V. acknowledge the Belgian Government for IAP-PAI networking. A. K. would also like to thank Frank Mathijs for the mechanical tests, Roy Bernstein for the XPS analysis and Lien Telen and Bart Goderis for the DSC measurements. We thank Verder Scientific Benelux for providing the service of ZIF-8 ball milling. ; ecas_sara Approved Most recent IF: 29.518
  Call Number UA @ lucian @ c:irua:147399UA @ admin @ c:irua:147399 Serial 4879
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Author Arias-Duque, C.; Bladt, E.; Munoz, M.A.; Hernandez-Garrido, J.C.; Cauqui, M.A.; Rodriguez-Izquierdo, J.M.; Blanco, G.; Bals, S.; Calvino, J.J.; Perez-Omil, J.A.; Yeste, M.P.
  Title Improving the redox response stability of ceria-zirconia nanocatalysts under harsh temperature conditions Type A1 Journal article
  Year (up) 2017 Publication Chemistry of materials Abbreviated Journal Chem Mater
  Volume 29 Issue 29 Pages 9340-9350
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract <script type='text/javascript'>document.write(unpmarked('By depositing ceria on the surface of yttrium stabilized zirconia (YSZ) nanocrystals and further activation under high-temperature reducing conditions, a 13% mol. CeO2/YSZ catalyst structured as subnanometer thick, pyrochlore-type, ceria-zirconia islands has been prepared. This nanostructured catalyst depicts not only high oxygen storage capacity (OSC) values but, more importantly, an outstandingly stable redox response upon oxidation and reduction treatments at very high temperatures, above 1000 degrees C. This behavior largely improves that observed on conventional ceria-zirconia solid solutions, not only of the same composition but also of those with much higher molar cerium contents. Advanced scanning transmission electron microscopy (STEM-XEDS) studies have revealed as key not only to detect the actual state of the lanthanide in this novel nanocatalyst but also to rationalize its unusual resistance to redox deactivation at very high temperatures. In particular, high-resolution X-ray dispersive energy studies have revealed the presence of unique bilayer ceria islands on top of the surface of YSZ nanocrystals, which remain at surface positions upon oxidation and reduction treatments up to 1000 degrees C. Diffusion of ceria into the bulk of these crystallites upon oxidation at 1100 degrees C irreversibly deteriorates both the reducibility and OSC of this nanostructured catalyst.'));
  Address
  Corporate Author Thesis
  Publisher American Chemical Society Place of Publication Washington, D.C Editor
  Language Wos 000415911600047 Publication Date 2017-10-10
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0897-4756 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 9.466 Times cited 20 Open Access OpenAccess
  Notes ; Financial support from MINECO/FEDER (Project ref: MAT2013-40823-R), Junta de Andalucia (FQM334 and FQM110), and EU FP7 (ESTEEM2) are acknowledged. E.B. and S.B. acknowledges financial support from European Research Council (ERC- Starting Grant #33S078-COLOURA-TOM). J.C.H.-G. acknowledges support from the Ramon y Cajal Fellowships Program of MINECO (RYC-2012-10004). ; Approved Most recent IF: 9.466
  Call Number UA @ lucian @ c:irua:147706UA @ admin @ c:irua:147706 Serial 4880
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Author Carmesin, C.; Schowalter, M.; Lorke, M.; Mourad, D.; Grieb, T.; Müller-Caspary, K.; Yacob, M.; Reithmaier, J.P.; Benyoucef, M.; Rosenauer, A.; Jahnke, F.
  Title Interplay of morphology, composition, and optical properties of InP-based quantum dots emitting at the 1.55 \mum telecom wavelength Type A1 Journal article
  Year (up) 2017 Publication Physical review B Abbreviated Journal Phys Rev B
  Volume 96 Issue 23 Pages 235309
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract <script type='text/javascript'>document.write(unpmarked('Results for the development and detailed analysis of self-organized InAs/InAlGaAs/InP quantum dots suitable for single-photon emission at the 1.55 mu m telecom wavelength are reported. The structural and compositional properties of the system are obtained from high-resolution scanning transmission electron microscopy of individual quantum dots. The system is composed of almost pure InAs quantum dots embedded in quaternary InAlGaAs barrier material, which is lattice matched to the InP substrate. When using the measured results for a representative quantum-dot geometry as well as experimentally reconstructed alloy concentrations, a combination of strain-field and electronic-state calculations is able to reproduce the quantum-dot emission wavelength in agreement with the experimentally determined photoluminescence spectrum. The inhomogeneous broadening of the latter can be related to calculated variations of the emission wavelength for the experimentally deduced In-concentration fluctuations and size variations.'));
  Address
  Corporate Author Thesis
  Publisher American Physical Society Place of Publication New York, N.Y Editor
  Language Wos 000418654200009 Publication Date 2017-12-26
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2469-9969; 2469-9950 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 3.836 Times cited 3 Open Access OpenAccess
  Notes ; The authors gratefully acknowledge financial support from the Deutsche Forschungsgemeinschaft Project No. JA 14-1, the BMBF Projects Q.com-H No. 16KIS0111 and No. 16KIS0112, as well as computational resources from HLRN (Hannover, Berlin). ; Approved Most recent IF: 3.836
  Call Number UA @ lucian @ c:irua:148505 Serial 4882
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Author Clima, S.; Belmonte, A.; Degraeve, R.; Fantini, A.; Goux, L.; Govoreanu, B.; Jurczak, M.; Ota, K.; Redolfi, A.; Kar, G.S.; Pourtois, G.
  Title Kinetic and thermodynamic heterogeneity : an intrinsic source of variability in Cu-based RRAM memories Type A1 Journal article
  Year (up) 2017 Publication Journal of computational electronics Abbreviated Journal J Comput Electron
  Volume 16 Issue 4 Pages 1011-1016
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract <script type='text/javascript'>document.write(unpmarked('The resistive random-access memory (RRAM) device concept is close to enabling the development of a new generation of non-volatile memories, provided that their reliability issues are properly understood. The design of a RRAM operating with extrinsic defects based on metallic inclusions, also called conductive bridge RAM, allows the use of a large spectrum of solid electrolytes. However, when scaled to device dimensions that meet the requirements of the latest technological nodes, the discrete nature of the atomic structure of the materials impacts the device operation. Using density functional theory simulations, we evaluated the migration kinetics of Cu conducting species in amorphous and solid electrolyte materials, and established that atomic disorder leads to a large variability in terms of defect stability and kinetic barriers. This variability has a significant impact on the filament resistance and its dynamics, as evidenced during the formation step of the resistive filament. Also, the atomic configuration of the formed filament can age/relax to another metastable atomic configuration, and lead to a modulation of the resistivity of the filament. All these observations are qualitatively explained on the basis of the computed statistical distributions of the defect stability and on the kinetic barriers encountered in RRAM materials.'));
  Address
  Corporate Author Thesis
  Publisher Place of Publication Place of publication unknown Editor
  Language Wos 000417598100004 Publication Date 2017-08-04
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1569-8025 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 1.526 Times cited 2 Open Access Not_Open_Access
  Notes Approved Most recent IF: 1.526
  Call Number UA @ lucian @ c:irua:148569 Serial 4883
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Author Conti, S.; Perali, A.; Peeters, F.M.; Neilson, D.
  Title Multicomponent electron-hole superfluidity and the BCS-BEC crossover in double bilayer graphene Type A1 Journal article
  Year (up) 2017 Publication Physical review letters Abbreviated Journal Phys Rev Lett
  Volume 119 Issue 25 Pages 257002
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract <script type='text/javascript'>document.write(unpmarked('Superfluidity in coupled electron-hole sheets of bilayer graphene is predicted here to be multicomponent because of the conduction and valence bands. We investigate the superfluid crossover properties as functions of the tunable carrier densities and the tunable energy band gap Eg. For small band gaps there is a significant boost in the two superfluid gaps, but the interaction-driven excitations from the valence to the conduction band can weaken the superfluidity, even blocking the system from entering the Bose-Einstein condensate (BEC) regime at low densities. At a given larger density, a band gap E-g similar to 80-120 meV can carry the system into the strong-pairing multiband BCS-BEC crossover regime, the optimal range for realization of high-Tc superfluidity.'));
  Address
  Corporate Author Thesis
  Publisher Place of Publication New York, N.Y. Editor
  Language Wos 000418619100017 Publication Date 2017-12-22
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0031-9007 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 8.462 Times cited 18 Open Access
  Notes ; We thank Mohammad Zarenia for useful discussions. Part of this work was supported by FWO-VI (Flemish Science Foundation) and the Methusalem program. ; Approved Most recent IF: 8.462
  Call Number UA @ lucian @ c:irua:148509 Serial 4885
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Author Savina, A.A.; Morozov, V.A.; Buzlukov, A.L.; Arapova, I.Y.; Stefanovich, S.Y.; Baklanova, Y.V.; Denisova, T.A.; Medvedeva, N.I.; Bardet, M.; Hadermann, J.; Lazoryak, B.I.; Khaikina, E.G.
  Title New solid electrolyte Na9Al(MoO4)6 : structure and Na+ ion conductivity Type A1 Journal article
  Year (up) 2017 Publication Chemistry of materials Abbreviated Journal Chem Mater
  Volume 29 Issue 20 Pages 8901-8913
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract <script type='text/javascript'>document.write(unpmarked('Solid electrolytes are important materials with a wide range of technological applications. This work reports the crystal structure and electrical properties of a new solid electrolyte Na9Al(MoO4)(6). The monoclinic Na9Al(MoO4)(6) consists of isolated polyhedral, [Al(MoO4)(6)](9-) clusters composed of a central AlO6 octahedron sharing vertices with six MoO4 tetrahedra to form a three-dimensional framework. The AlO6 octahedron also shares edges with one NalO(6) octahedron and two Na2O(6) octahedra. Na3-Na5 atoms are located in the framework cavities. The structure is related to that of sodium ion conductor II-Na3Fe2(AsO4)(3). High-temperature conductivity measurements revealed that the conductivity (sigma) of Na9Al(MoO4)(6) at 803 K equals 1.63 X 10(-2) S cm(-1). The temperature behavior of the Na-23 and Al-27 nuclear magnetic resonance spectra and the spin-lattice relaxation rates of the Na-23 nuclei indicate the presence of fast Na+ ion diffusion in the studied compound. At T\u003C490 K, diffusion occurs by means of Na+ ion jumps exclusively through the sublattice of Na3-Na5 positions, whereas Na1 and Na2 become involved in the diffusion processes (through chemical exchange with the Na3-Na5 sublattice) only at higher temperatures.'));
  Address
  Corporate Author Thesis
  Publisher American Chemical Society Place of Publication Washington, D.C Editor
  Language Wos 000413884900037 Publication Date 2017-09-26
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0897-4756 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 9.466 Times cited 13 Open Access OpenAccess
  Notes ; The research was performed within the state assignment of FASO of Russia (Themes 01201463330, A16-116122810214-9, and 0339-2016-0007), supported in part by the Russian Foundation for Basic Research (Projects 16-03-00510, 16-03-00164, and 17-03-00333). ; Approved Most recent IF: 9.466
  Call Number UA @ lucian @ c:irua:147432 Serial 4886
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Author Sanchez-Barriga, J.; Ogorodnikov, I.I.; Kuznetsov, M.V.; Volykhov, A.A.; Matsui, F.; Callaert, C.; Hadermann, J.; Verbitskiy, N.I.; Koch, R.J.; Varykhalov, A.; Rader, O.; Yashina, L.V.
  Title Observation of hidden atomic order at the interface between Fe and topological insulator Bi2Te3 Type A1 Journal article
  Year (up) 2017 Publication Physical chemistry, chemical physics Abbreviated Journal Phys Chem Chem Phys
  Volume 19 Issue 45 Pages 30520-30532
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract <script type='text/javascript'>document.write(unpmarked('To realize spintronic devices based on topological insulators (TIs), well-defined interfaces between magnetic metals and TIs are required. Here, we characterize atomically precisely the interface between the 3d transition metal Fe and the TI Bi2Te3 at different stages of its formation. Using photoelectron diffraction and holography, we show that after deposition of up to 3 monolayers Fe on Bi2Te3 at room temperature, the Fe atoms are ordered at the interface despite the surface disorder revealed by our scanning-tunneling microscopy images. We find that Fe occupies two different sites: a hollow adatom deeply relaxed into the Bi2Te3 quintuple layers and an interstitial atom between the third (Te) and fourth (Bi) atomic layers. For both sites, our core-level photoemission spectra and density-functional theory calculations demonstrate simultaneous chemical bonding of Fe to both Te and Bi atoms. We further show that upon deposition of Fe up to a thickness of 20 nm, the Fe atoms penetrate deeper into the bulk forming a 2-5 nm interface layer containing FeTe. In addition, excessive Bi is pushed down into the bulk of Bi2Te3 leading to the formation of septuple layers of Bi3Te4 within a distance of similar to 25 nm from the interface. Controlling the magnetic properties of the complex interface structures revealed by our work will be of critical importance when optimizing the efficiency of spin injection in TI-based devices.'));
  Address
  Corporate Author Thesis
  Publisher Place of Publication Cambridge Editor
  Language Wos 000416054400023 Publication Date 2017-10-24
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1463-9076; 1463-9084 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 4.123 Times cited 4 Open Access OpenAccess
  Notes ; The authors acknowledge financial support within the bilateral program “Russian-German Laboratory at BESSY II” and thank Helmholtz Zentrum Berlin for granting access to the beamlines RGBL, UE112-PGM2a and U49-PGM1. The Supercomputing Center of Lomonosov Moscow State University is gratefully acknowledged for granting access to the “Lomonosov” supercomputer. The work was partially supported by DFG priority program SPP 1666, Impuls- und Vernetzungsfonds der Helmholtz-Gemeinschaft (Grant No. HRJRG-408) and Russian Foundation for Basic Research (Grants No. 13-02-91327 and No. 16-29-06410). C. C. acknowledges support from the University of Antwerp through the BOF grant 31445. The authors thank Dr Vera Neudachina, Daria Tsukanova, Dr Elmar Kataev and Dr Maria Batuk for their support during the XPS and TEM experiments. ; Approved Most recent IF: 4.123
  Call Number UA @ lucian @ c:irua:147659 Serial 4888
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Author Wang, Y.-L.; Glatz, A.; Kimmel, G.J.; Aranson, I.S.; Thoutam, L.R.; Xiao, Z.-L.; Berdiyorov, G.R.; Peeters, F.M.; Crabtree, G.W.; Kwok, W.-K.
  Title Parallel magnetic field suppresses dissipation in superconducting nanostrips Type A1 Journal article
  Year (up) 2017 Publication America Abbreviated Journal P Natl Acad Sci Usa
  Volume 114 Issue 48 Pages E10274-E10280
  Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
  Abstract <script type='text/javascript'>document.write(unpmarked('The motion of Abrikosov vortices in type-II superconductors results in a finite resistance in the presence of an applied electric current. Elimination or reduction of the resistance via immobilization of vortices is the \u0022holy grail\u0022 of superconductivity research. Common wisdom dictates that an increase in the magnetic field escalates the loss of energy since the number of vortices increases. Here we show that this is no longer true if the magnetic field and the current are applied parallel to each other. Our experimental studies on the resistive behavior of a superconducting Mo0.79Ge0.21 nanostrip reveal the emergence of a dissipative state with increasing magnetic field, followed by a pronounced resistance drop, signifying a reentrance to the superconducting state. Large-scale simulations of the 3D time-dependent Ginzburg-Landau model indicate that the intermediate resistive state is due to an unwinding of twisted vortices. When the magnetic field increases, this instability is suppressed due to a better accommodation of the vortex lattice to the pinning configuration. Our findings show that magnetic field and geometrical confinement can suppress the dissipation induced by vortex motion and thus radically improve the performance of superconducting materials.'));
  Address
  Corporate Author Thesis
  Publisher Place of Publication Washington, D.C. Editor
  Language Wos 000416891600007 Publication Date 2017-11-13
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0027-8424; 1091-6490 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 9.661 Times cited 18 Open Access
  Notes ; This work was supported by the US Department of Energy (DOE), Office of Science, Office of Basic Energy Sciences, Materials Sciences and Engineering Division. The simulation was supported by the Scientific Discovery through Advanced Computing program funded by US DOE, Office of Science, Advanced Scientific Computing Research and Basic Energy Science, Division of Materials Science and Engineering. L.R.T. and Z.-L.X. acknowledge support through National Science Foundation Grant DMR-1407175. Use of the Center for Nanoscale Materials, an Office of Science user facility, was supported by the DOE, Office of Science, Office of Basic Energy Sciences, under Contract DE-AC02-06CH11357. ; Approved Most recent IF: 9.661
  Call Number UA @ lucian @ c:irua:147697 Serial 4889
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Author Stosic, D.; Ludermir, T.B.; Milošević, M.V.
  Title Pinning of magnetic skyrmions in a monolayer Co film on Pt(111) : Theoretical characterization and exemplified utilization Type A1 Journal article
  Year (up) 2017 Publication Physical review B Abbreviated Journal Phys Rev B
  Volume 96 Issue 21 Pages 214403
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract <script type='text/javascript'>document.write(unpmarked('Magnetic skyrmions are nanoscale windings of the spin structure that can be observed in chiral magnets and hold promise for potential applications in storing or processing information. Pinning due to ever-present material imperfections crucially affects the mobility of skyrmions. Therefore, a proper understanding of how magnetic skyrmions pin to defects is necessary for the development and performance of spintronic devices. Here we present a fundamental analysis on the interactions of single skyrmions with atomic defects of distinctly different origins, in a Co monolayer on Pt, based on minimum-energy paths considerations and atomic-spin simulations. We first report the preferred pinning loci of the skyrmion as a function of its nominal size and the type of defect being considered, to further reveal the manipulation and \u0022breathing\u0022 of skyrmion core in the vicinity of a defect. We also show the behavior of skyrmions in the presence of an extended defect of particular geometry, that can lead to ratcheted skyrmion motion or a facilitated guidance on a defect \u0022trail.\u0022 We close the study with reflections on the expected thermal stability of the skyrmion against collapse on itself for a given nature of the defect, and discuss the applications where control of skyrmions by defects is of particular interest.'));
  Address
  Corporate Author Thesis
  Publisher American Physical Society Place of Publication New York, N.Y Editor
  Language Wos 000416846900002 Publication Date 2017-12-01
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2469-9969; 2469-9950 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 3.836 Times cited 52 Open Access
  Notes ; This work was supported by the Research Foundation, Flanders (FWO-Vlaanderen) and Brazilian agency CNPq (Grants No. 442668/2014-7 and No. 140840/2016-8). ; Approved Most recent IF: 3.836
  Call Number UA @ lucian @ c:irua:147684 Serial 4890
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Author Vanherck, J.; Schulenborg, J.; Saptsov, R.B.; Splettstoesser, J.; Wegewijs, M.R.
  Title Relaxation of quantum dots in a magnetic field at finite bias -Charge, spin, and heat currents Type A1 Journal article
  Year (up) 2017 Publication Physica status solidi: B: basic research Abbreviated Journal Phys Status Solidi B
  Volume 254 Issue 3 Pages Unsp 1600614
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract <script type='text/javascript'>document.write(unpmarked('We perform a detailed study of the effect of finite bias and magnetic field on the tunneling-induced decay of the state of a quantum dot by applying a recently discovered general duality [Phys. Rev. B 93, 81411 (2016)]. This duality provides deep physical insight into the decay dynamics of electronic open quantum systems with strong Coulomb interaction. It associates the amplitudes of decay eigenmodes of the actual system to the eigenmodes of a so-called dual system with attractive interaction. Thereby, it predicts many surprising features in the transient transport and its dependence on experimental control parameters: the attractive interaction of the dual model shows up as sharp features in the amplitudes of measurable time-dependent currents through the actual repulsive system. In particular, for interacting quantum dots, the time-dependent heat current exhibits a decay mode that dissipates the interaction energy and that is tied to the fermion parity of the system. We show that its decay amplitude has an unexpected gate-voltage dependence that is robust up to sizable bias voltages and then bifurcates, reflecting that the Coulomb blockade is lifted in the dual system. Furthermore, combining our duality relation with the known Iche-duality, we derive new symmetry properties of the decay rates as a function of magnetic field and gate voltage. Finally, we quantify charge- and spin-mode mixing due to the magnetic field using a single mixing parameter.'));
  Address
  Corporate Author Thesis
  Publisher Place of Publication Berlin Editor
  Language Wos 000395441500011 Publication Date 2017-01-18
  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 4 Open Access
  Notes ; We acknowledge the financial support of Erasmus Mundus (J. V.), DFG project SCHO 641/7-1 (R.B.S. and M.R.W), the Swedish VR (J.Sc., J.Sp.), and the Knut and Alice Wallenberg Foundation (J. Sp.). The authors thank F. Haupt and N. Dittmann for useful discussions on the topic. ; Approved Most recent IF: 1.674
  Call Number UA @ lucian @ c:irua:142510 Serial 4894
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Author Fedoseeva, Y.V.; Orekhov, A.S.; Chekhova, G.N.; Koroteev, V.O.; Kanygin, M.A.; Seovskiy, B.V.; Chuvilin, A.; Pontiroli, D.; Ricco, M.; Bulusheva, L.G.; Okotrub, A.V.
  Title Single-walled carbon nanotube reactor for redox transformation of mercury dichloride Type A1 Journal article
  Year (up) 2017 Publication ACS nano Abbreviated Journal Acs Nano
  Volume 11 Issue 9 Pages 8643-8649
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
  Abstract <script type='text/javascript'>document.write(unpmarked('Single-walled carbon nanotubes (SWCNTs) possessing a confined inner space protected by chemically resistant shells are promising for delivery, storage, and desorption of various compounds, as well as carrying out specific reactions. Here, we show that SWCNTs interact with molten mercury dichloride (HgCl2) and guide its transformation into dimercury dichloride (Hg2Cl2) in the cavity. The chemical state of host SWCNTs remains almost unchanged except for a small p-doping from the guest Hg2Cl2 nanocrystals. The density functional theory calculations reveal that the encapsulated HgCl2 molecules become negatively charged and start interacting via chlorine bridges when local concentration increases. This reduces the bonding strength in HgCl2, which facilitates removal of chlorine, finally leading to formation of Hg2Cl2 species. The present work demonstrates that SWCNTs not only serve as a template for growing nanocrystals but also behave as an electron-transfer catalyst in the spatially confined redox reaction by donation of electron density for temporary use by the guests.'));
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000411918200012 Publication Date 2017-08-07
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1936-0851 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 13.942 Times cited 11 Open Access Not_Open_Access
  Notes ; Collaboration between partner institutions was partially supported by European FP7 IRSES project 295180. We are grateful to the bilateral Program “Russian-German Laboratory at BESSY II” for the assistance in XPS and NEXAFS measurements. We acknowledge C. Tollan for proofreading the manuscript. We are grateful to Dr. Y.V. Shubin for XRD measurements of graphite with HgCl<INF>2</ INF>. ; Approved Most recent IF: 13.942
  Call Number UA @ lucian @ c:irua:146770 Serial 4895
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Author Groenendijk, D.J.; Autieri, C.; Girovsky, J.; Martinez-Velarte, M.C.; Manca, N.; Mattoni, G.; Monteiro, A.M.R.V.L.; Gauquelin, N.; Verbeeck, J.; Otte, A.F.; Gabay, M.; Picozzi, S.; Caviglia, A.D.
  Title Spin-orbit semimetal SrIrO3 in the two-dimensional limit Type A1 Journal article
  Year (up) 2017 Publication Physical review letters Abbreviated Journal Phys Rev Lett
  Volume 119 Issue 25 Pages 256403
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract <script type='text/javascript'>document.write(unpmarked('We investigate the thickness-dependent electronic properties of ultrathin SrIrO3 and discover a transition from a semimetallic to a correlated insulating state below 4 unit cells. Low-temperature magnetoconductance measurements show that spin fluctuations in the semimetallic state are significantly enhanced while approaching the transition point. The electronic properties are further studied by scanning tunneling spectroscopy, showing that 4 unit cell SrIrO(3)d is on the verge of a gap opening. Our density functional theory calculations reproduce the critical thickness of the transition and show that the opening of a gap in ultrathin SrIrO3 requires antiferromagnetic order.'));
  Address
  Corporate Author Thesis
  Publisher Place of Publication New York, N.Y. Editor
  Language Wos 000418619100014 Publication Date 2017-12-22
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0031-9007 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 8.462 Times cited 79 Open Access OpenAccess
  Notes ; This work was supported by The Netherlands Organisation for Scientific Research (NWO/OCW) as part of the Frontiers of Nanoscience program (NanoFront), by the Dutch Foundation for Fundamental Research on Matter (FOM), and by the European Research Council under the European Union's H2020 programme/ERC Grant Agreement No. [677458]. The authors thank R. Claessen, P. Schutz, D. Di Sante, G. Sangiovanni, and A. Santander Syro for useful discussions. M. G. gratefully acknowledges support from the French National Research Agency (ANR) (Project LACUNES No. ANR-13-BS04-0006-01). C. A. and S. P. acknowledge financial support from Fondazione Cariplo via the project Magister (Project No. 2013-0726) and from CNR-SPIN via the Seed Project “CAMEO”. N. G. and J. V. acknowledge support from the GOA project “Solarpaint” of the University of Antwerp. The Qu-AntEM microscope was partly funded by the Hercules fund from the Flemish Government. ; Approved Most recent IF: 8.462
  Call Number UA @ lucian @ c:irua:148510 Serial 4897
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Author Mehta, A.N.; Zhang, H.; Dabral, A.; Richard, O.; Favia, P.; Bender, H.; Delabie, A.; Caymax, M.; Houssa, M.; Pourtois, G.; Vandervorst, W.
  Title Structural characterization of SnS crystals formed by chemical vapour deposition Type A1 Journal article
  Year (up) 2017 Publication Journal of microscopy T2 – 20th International Conference on Microscopy of Semiconducting Materials, (MSM), APR 09-13, 2017, Univ Oxford, Univ Oxford, Oxford, ENGLAND Abbreviated Journal J Microsc-Oxford
  Volume 268 Issue 3 Pages 276-287
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract <script type='text/javascript'>document.write(unpmarked('The crystal and defect structure of SnS crystals grown using chemical vapour deposition for application in electronic devices are investigated. The structural analysis shows the presence of two distinct crystal morphologies, that is thin flakes with lateral sizes up to 50 m and nanometer scale thickness, and much thicker but smaller crystallites. Both show similar Raman response associated with SnS. The structural analysis with transmission electron microscopy shows that the flakes are single crystals of -SnS with [010] normal to the substrate. Parallel with the surface of the flakes, lamellae with varying thickness of a new SnS phase are observed. High-resolution transmission electron microscopy (TEM), scanning transmission electron microscopy (STEM), first-principles simulations (DFT) and nanobeam diffraction (NBD) techniques are employed to characterise this phase in detail. DFT results suggest that the phase is a strain stabilised \u0027 one grown epitaxially on the -SnS crystals. TEM analysis shows that the crystallites are also -SnS with generally the [010] direction orthogonal to the substrate. Contrary to the flakes the crystallites consist of two to four grains which are tilted up to 15 degrees relative to the substrate. The various grain boundary structures and twin relations are discussed. Under high-dose electron irradiation, the SnS structure is reduced and -Sn formed. It is shown that this damage only occurs for SnS in direct contact with SiO2. Lay description SnS is a p-type semiconductor, which has attracted significant interest for electronic devices due to its unique properties, low-toxicity and abundance of Sn in nature. Although in the past it has been most extensively studied as the absorber material in solar cells, it has recently garnered interest for application as a p-type two-dimensional semiconductor in nanoelectronic devices due to its anisotropic layered structure similar to the better known phosphorene. Tin sulphide can take the form of several phases and the electronic properties of the material depend strongly on its crystal structure. It is therefore crucial to study the crystal structure of the material in order to predict the electronic properties and gain insight into the growth mechanism. In this work, SnS crystals deposited using a chemical vapour deposition technique are investigated extensively for their crystal and defect structure using transmission electron microscopy (TEM) and related techniques. We find the presence of two distinct crystal morphologies, that is thin flakes with lateral sizes up to 50 m and nm scale thickness, and much thicker but smaller crystallites. The flakes are single crystals of -SnS and contain lamellae with varying thickness of a different phase which appear to be -SnS at first glance. High-resolution scanning transmission electron microscopy is used to characterise these lamellae where the annular bright field (ABF) mode better reveals the position of the sulphur columns. The sulphur columns in the lamellae are found to be shifted relative to the -SnS structure which indicates the formation of a new phase which is a distorted version of the phase which we tentatively refer to as \u0027-SnS. Simulations based on density functional theory (DFT) are used to model the interface and a similar shift of sulphur columns in the -SnS layer is observed which takes place as a result of strong interaction at the interface between the two phases resulting in strain transfer. Nanobeam electron diffraction (NBD) is used to map the lattice mismatch in the thickness of the flakes which reveals good in-plane matching and some expansion out-of-plane in the lamellae. Contrary to the flakes the crystallites are made solely of -SnS and consist of two to four grains which are tilted up to 15 degrees relative to the substrate. The various grain boundary structures and twin relations are discussed. At high electron doses, SnS is reduced to -Sn, however the damage occurs only for SnS in direct contact with SiO2.'));
  Address
  Corporate Author Thesis
  Publisher Wiley Place of Publication Hoboken Editor
  Language Wos 000415900300009 Publication Date 2017-09-28
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0022-2720 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 1.692 Times cited 2 Open Access Not_Open_Access
  Notes Approved Most recent IF: 1.692
  Call Number UA @ lucian @ c:irua:147692 Serial 4898
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Author Pimenta, V.; Sathiya, M.; Batuk, D.; Abakumov, A.M.; Giaume, D.; Cassaignon, S.; Larcher, D.; Tarascon, J.-M.
  Title Synthesis of Li-Rich NMC : a comprehensive study Type A1 Journal article
  Year (up) 2017 Publication Chemistry of materials Abbreviated Journal Chem Mater
  Volume 29 Issue 23 Pages 9923-9936
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract <script type='text/javascript'>document.write(unpmarked('Li-rich NMC are considered nowadays as one of the most promising candidates for high energy density cathodes. One significant challenge is nested in adjusting their synthesis conditions to reach optimum electrochemical performance, but no consensus has been reached yet on the ideal synthesis protocol. Herein, we revisited the elaboration of Li-rich NMC electrodes by focusing on the science involved through each synthesis steps using carbonate Ni0.1625Mn0.675Co0.1625CO3 precursor coprecipitation combined with solid state synthesis. We demonstrated the effect of precursors concentration on the kinetics of the precipitation reaction and provided clues to obtain spherically agglomerated NMC carbonates of different sizes. Moreover, we highlighted the strong impact of the Li2CO3/NMC carbonate ratio on the morphology and particles size of Li-rich NMC and subsequently on their electrochemical performance. Ratio of 1.35 was found to reproducibly give the best performance with namely a first discharge capacity of 269 mAh g(-1) and capacity retention of 89.6% after 100 cycles. We hope that our results, which reveal how particle size, morphology, and phase composition affect the materials electrochemical performance, will help in reconciling literature data while providing valuable fundamental information for up scaling approaches.'));
  Address
  Corporate Author Thesis
  Publisher American Chemical Society Place of Publication Washington, D.C Editor
  Language Wos 000418206600010 Publication Date 2017-11-08
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0897-4756 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 9.466 Times cited 23 Open Access Not_Open_Access
  Notes ; The authors acknowledge the French Research Network on Electrochemical Energy Storage (RS2E). V.P and J.-M.T. acknowledges funding from the European Research Council (ERC) (FP/2014)/ERC Grant-Project 670116-ARPEMA. The authors are thankful to Dr. G. Rousse for the help on Rietveld refinements. ; Approved Most recent IF: 9.466
  Call Number UA @ lucian @ c:irua:148530 Serial 4899
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Author Schulenborg, J.; Di Marco, A.; Vanherck, J.; Wegewijs, M.R.; Splettstoesser, J.
  Title Thermoelectrics of interacting nanosystems-exploiting superselection instead of time-reversal symmetry Type A1 Journal article
  Year (up) 2017 Publication Entropy: an international and interdisciplinary journal of entropy and information studies Abbreviated Journal Entropy-Switz
  Volume 19 Issue 12 Pages 668
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract <script type='text/javascript'>document.write(unpmarked('Thermoelectric transport is traditionally analyzed using relations imposed by time-reversal symmetry, ranging from Onsager\u0027s results to fluctuation relations in counting statistics. In this paper, we show that a recently discovered duality relation for fermionic systems-deriving from the fundamental fermion-parity superselection principle of quantum many-particle systems-provides new insights into thermoelectric transport. Using a master equation, we analyze the stationary charge and heat currents through a weakly coupled, but strongly interacting single-level quantum dot subject to electrical and thermal bias. In linear transport, the fermion-parity duality shows that features of thermoelectric response coefficients are actually dominated by the average and fluctuations of the charge in a dual quantum dot system, governed by attractive instead of repulsive electron-electron interaction. In the nonlinear regime, the duality furthermore relates most transport coefficients to much better understood equilibrium quantities. Finally, we naturally identify the fermion-parity as the part of the Coulomb interaction relevant for both the linear and nonlinear Fourier heat. Altogether, our findings hence reveal that next to time-reversal, the duality imposes equally important symmetry restrictions on thermoelectric transport. As such, it is also expected to simplify computations and clarify the physical understanding for more complex systems than the simplest relevant interacting nanostructure model studied here.'));
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000419007900037 Publication Date 2017-12-06
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1099-4300 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 1.821 Times cited 3 Open Access
  Notes ; We thank Rafael Sanchez for useful comments on the manuscript. We acknowledge funding from the Knut and Alice Wallenberg foundation through their Academy Fellows program (J.Sp. and A.D.M.), from the Swedish VR (J.Sp. and J.Sc.), from the Erasmus Mundus program (J.V.), and from the DFG project SCHO 641/7-1 (M.R.W.). ; Approved Most recent IF: 1.821
  Call Number UA @ lucian @ c:irua:148548 Serial 4900
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Author Zhang, L.-F.; Covaci, L.; Milošević, M.V.
  Title Topological phase transitions in small mesoscopic chiral p-wave superconductors Type A1 Journal article
  Year (up) 2017 Publication Physical review B Abbreviated Journal Phys Rev B
  Volume 96 Issue 22 Pages 224512
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract <script type='text/javascript'>document.write(unpmarked('Spin-triplet chiral p-wave superconductivity is typically described by a two-component order parameter, and as such is prone to unique emergent effects when compared to the standard single-component superconductors. Here we present the equilibrium phase diagram for small mesoscopic chiral p-wave superconducting disks in the presence of magnetic field, obtained by solving the microscopic Bogoliubov-de Gennes equations self-consistently. In the ultrasmall limit, the cylindrically symmetric giant-vortex states form the ground state of the system. However, with increasing sample size, the cylindrical symmetry is broken as the two components of the order parameter segregate into domains, and the number of fragmented domain walls between them characterizes the resulting states. Such domain walls are topological defects unique for the p-wave order, and constitute a dominant phase in the mesoscopic regime. Moreover, we find two possible types of domain walls, identified by their chirality-dependent interaction with the edge states.'));
  Address
  Corporate Author Thesis
  Publisher American Physical Society Place of Publication New York, N.Y Editor
  Language Wos 000418653500012 Publication Date 2017-12-26
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2469-9969; 2469-9950 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 3.836 Times cited 18 Open Access
  Notes ; This work was supported by the Research Foundation Flanders (FWO-Vlaanderen) and the Special Research Funds of the University of Antwerp. ; Approved Most recent IF: 3.836
  Call Number UA @ lucian @ c:irua:148504 Serial 4901
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Author Jiang, Y.; Mao, J.; Moldovan, D.; Masir, M.R.; Li, G.; Watanabe, K.; Taniguchi, T.; Peeters, F.M.; Andrei, E.Y.
  Title Tuning a circular p-n junction in graphene from quantum confinement to optical guiding Type A1 Journal article
  Year (up) 2017 Publication Nature nanotechnology Abbreviated Journal Nat Nanotechnol
  Volume 12 Issue 11 Pages 1045-+
  Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
  Abstract <script type='text/javascript'>document.write(unpmarked('The photon-like propagation of the Dirac electrons in graphene, together with its record-high electronic mobility(1-3), can lead to applications based on ultrafast electronic response and low dissipation(4-6). However, the chiral nature of the charge carriers that is responsible for the high mobility also makes it difficult to control their motion and prevents electronic switching. Here, we show how to manipulate the charge carriers by using a circular p-n junction whose size can be continuously tuned from the nanometre to the micrometre scale(7,8). The junction size is controlled with a dual-gate device consisting of a planar back gate and a point-like top gate made by decorating a scanning tunnelling microscope tip with a gold nanowire. The nanometre-scale junction is defined by a deep potential well created by the tip-induced charge. It traps the Dirac electrons in quantum-confined states, which are the graphene equivalent of the atomic collapse states (ACSs) predicted to occur at supercritically charged nuclei(9-13). As the junction size increases, the transition to the optical regime is signalled by the emergence of whispering-gallery modes(14-16), similar to those observed at the perimeter of acoustic or optical resonators, and by the appearance of a Fabry-Perot interference pattern(17-20) for junctions close to a boundary.'));
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000414531800011 Publication Date 2017-09-15
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1748-3387; 1748-3395 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 38.986 Times cited 65 Open Access
  Notes ; The authors acknowledge funding provided by DOE-FG02-99ER45742 (STM/STS) and NSF DMR 1708158 (fabrication). Theoretical work was supported by ESF-EUROCORES-EuroGRAPHENE, FWO VI and the Methusalem program of the Flemish government. ; Approved Most recent IF: 38.986
  Call Number UA @ lucian @ c:irua:147406 Serial 4902
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Author Razzokov, J.; Yusupov, M.; Vanuytsel, S.; Neyts, E.C.; Bogaerts, A.
  Title Phosphatidylserine flip-flop induced by oxidation of the plasma membrane: a better insight by atomic scale modeling Type A1 Journal article
  Year (up) 2017 Publication Plasma processes and polymers Abbreviated Journal Plasma Process Polym
  Volume 14 Issue 10 Pages 1700013
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract We perform molecular dynamics simulations to study the flip-flop motion of phosphatidylserine (PS) across the plasma membrane upon increasing oxidation degree of the membrane. Our computational results show that an increase of the oxidation degree in the lipids leads to a decrease of the free energy barrier for translocation of PS through the membrane. In other words, oxidation of the lipids facilitates PS flip-flop motion across the membrane, because in native phospholipid bilayers this is only a “rare event” due to the high energy barriers for the translocation of PS. The present study provides an atomic-scale insight into the mechanisms of the PS flip-flop upon oxidation of lipids, as produced for example by cold atmospheric plasma, in living cells.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000413045800010 Publication Date 2017-04-05
  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 9 Open Access Not_Open_Access
  Notes Fonds Wetenschappelijk Onderzoek, 1200216N ; Approved Most recent IF: 2.846
  Call Number PLASMANT @ plasmant @c:irua:149567 Serial 4910
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Author Schryvers, D.; Salje, E.K.H.; Nishida, M.; De Backer, A.; Idrissi, H.; Van Aert, S.
  Title Quantification by aberration corrected (S)TEM of boundaries formed by symmetry breaking phase transformations Type A1 Journal article
  Year (up) 2017 Publication Ultramicroscopy Abbreviated Journal Ultramicroscopy
  Volume 176 Issue Pages 194-199
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract The present contribution gives a review of recent quantification work of atom displacements, atom site occupations and level of crystallinity in various systems and based on aberration corrected HR(S)TEM images. Depending on the case studied, picometer range precisions for individual distances can be obtained, boundary widths at the unit cell level determined or statistical evolutions of fractions of the ordered areas calculated. In all of these cases, these quantitative measures imply new routes for the applications of the respective materials.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000403992200026 Publication Date 2017-01-09
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0304-3991 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 2.843 Times cited 1 Open Access OpenAccess
  Notes The authors acknowledge financial support from the Fund for Scientific Research-Flanders (G.0064.10N, G.0393.11N, G.0374.13N, G.0368.15N, G.0369.15N) and the Flemish Hercules 3 program for large infrastructure as well as financial support from the European Union Seventh Framework Programme (FP7/2007 – 2013) under Grant agreement no. 312483 (ESTEEM2). EKHS thanks EPSRC (EP/ K009702/1) and the Leverhulme trust (EM-2016-004) for support. DS and MN acknowledge financial support from the Japan Society for the Promotion of Science (JSPS, Japan) through the Grant-in-Aid for Scientific Research (A: No. 26249090) and the Strategic Young Researcher Overseas Visits Program for Accelerating Brain Circulation (R2408). Approved Most recent IF: 2.843
  Call Number EMAT @ emat @c:irua:149654 Serial 4914
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Author Perez, A.J.; Jacquet, Q.; Batuk, D.; Iadecola, A.; Saubanere, M.; Rousse, G.; Larcher, D.; Vezin, H.; Doublet, M.-L.; Tarascon, J.-M.
  Title Approaching the limits of cationic and anionic electrochemical activity with the Li-rich layered rocksalt Li3IrO4 Type A1 Journal article
  Year (up) 2017 Publication Nature energy Abbreviated Journal Nat Energy
  Volume 2 Issue 12 Pages 954-962
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
  Abstract The Li-rich rocksalt oxides Li2MO3 (M = 3d/4d/5d transition metal) are promising positive-electrode materials for Li-ion batteries, displaying capacities exceeding 300 mAh g(-1) thanks to the participation of the oxygen non-bonding O(2p) orbitals in the redox process. Understanding the oxygen redox limitations and the role of the O/M ratio is therefore crucial for the rational design of materials with improved electrochemical performances. Here we push oxygen redox to its limits with the discovery of a Li3IrO4 compound (O/M = 4) that can reversibly take up and release 3.5 electrons per Ir and possesses the highest capacity ever reported for any positive insertion electrode. By quantitatively monitoring the oxidation process, we demonstrate the material's instability against O-2 release on removal of all Li. Our results show that the O/M parameter delineates the boundary between the material's maximum capacity and its stability, hence providing valuable insights for further development of high-capacity materials.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000430218300001 Publication Date 2017-12-06
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2058-7546 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor Times cited 55 Open Access Not_Open_Access
  Notes ; We thank P. Pearce for providing the beta-Li<INF>2</INF>IrO<INF>3</INF> and L. Lemarquis for helping in the DEMS experiment. We are particularly grateful to S. Belin, V. Briois and L. Stievano for helpful discussions on XAS analysis and synchrotron SOLEIL (France) for providing beamtime at the ROCK beamline (financed by the French National Research Agency (ANR) as part of the 'Investissements d'Avenir' programme, reference: ANR-10-EQPX-45). A.J.P and A. I. acknowledge the GdR C(RS) 2 for the workshop organized on a chemometric approach for XAS data analysis. V. Nassif is acknowledged for her help during neutron diffraction experiments performed at Institut Laue Langevin on D1B. Use of the 11-BM mail service of the APS at Argonne National Laboratory was supported by the US Department of Energy under contract No. DE-AC02-06CH11357 and is gratefully acknowledged. This work has been performed with the support of the European Research Council (ERC) (FP/2014)/ERC Grant- Project 670116 ARPEMA. ; Approved Most recent IF: NA
  Call Number UA @ lucian @ c:irua:150926 Serial 4962
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Author Pourtois, G.; Dabral, A.; Sankaran, K.; Magnus, W.; Yu, H.; de de Meux, A.J.; Lu, A.K.A.; Clima, S.; Stokbro, K.; Schaekers, M.; Houssa, M.; Collaert, N.; Horiguchi, N.
  Title Probing the intrinsic limitations of the contact resistance of metal/semiconductor interfaces through atomistic simulations Type P1 Proceeding
  Year (up) 2017 Publication Semiconductors, Dielectrics, And Metals For Nanoelectronics 15: In Memory Of Samares Kar Abbreviated Journal
  Volume Issue Pages 303-311
  Keywords P1 Proceeding; Engineering sciences. Technology; Condensed Matter Theory (CMT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract In this contribution, we report a fundamental study of the factors that set the contact resistivity between metals and highly doped semiconductors. We investigate the case of n-type doped Si contacted with amorphous TiSi combining first-principles calculations with Non-Equilibrium Green functions transport simulations. The intrinsic contact resistivity is found to saturate at similar to 2x10(-10) Omega.cm(2) with the doping concentration and sets an intrinsic limit to the ultimate contact resistance achievable for n-doped Si vertical bar amorphous-TiSi. This limit arises from the intrinsic properties of the semiconductor and of the metal such as their electron effective masses and Fermi energies. We illustrate that, in this regime, contacting metals with a heavy electron effective mass helps reducing the interface intrinsic contact resistivity.
  Address
  Corporate Author Thesis
  Publisher Electrochemical soc inc Place of Publication Pennington Editor
  Language Wos 000426271800028 Publication Date 2017-10-17
  Series Editor Series Title Abbreviated Series Title
  Series Volume 80 Series Issue 1 Edition
  ISSN 978-1-62332-470-4; 978-1-60768-818-1 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor Times cited 1 Open Access Not_Open_Access
  Notes ; ; Approved Most recent IF: NA
  Call Number UA @ lucian @ c:irua:149966 Serial 4976
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Author Verreck, D.; Verhulst, A.S.; Van de Put, M.L.; Sorée, B.; Magnus, W.; Collaert, N.; Mocuta, A.; Groeseneken, G.
  Title Self-consistent 30-band simulation approach for (non-)uniformly strained confined heterostructure tunnel field-effect transistors Type P1 Proceeding
  Year (up) 2017 Publication Simulation of Semiconductor Processes and, Devices (SISPAD)AND DEVICES (SISPAD 2017) Abbreviated Journal
  Volume Issue Pages 29-32
  Keywords P1 Proceeding; Condensed Matter Theory (CMT)
  Abstract Heterostructures of III-V materials under a mechanical strain are being actively researched to enhance the performance of the tunnel field-effect transistor (TFET). In scaled III-V device structures, however, the interplay between the effects of strain and quantum confinement on the semiconductor band structure and hence the performance is highly non-trivial. We have therefore developed a computationally efficient quantum mechanical simulator Pharos, which enables self-consistent full-zone k.p-based simulations of III-V TFETs under a general non-uniform strain. We present the self-consistent procedure and demonstrate it on confined staggered bandgap GaAs0.5Sb0.5/In0.53Ga0.47As TFETs. We find a large performance degradation due to size-induced quantum confinement compared to non-confined devices. We show that some performance can be regained either by applying a uniform biaxial tensile strain or through the non-uniform strain profile at a lattice-mismatched heterostructure.
  Address
  Corporate Author Thesis
  Publisher Ieee Place of Publication New york Editor
  Language Wos Publication Date
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 978-4-86348-610-2 ISBN Additional Links UA library record; WoS full record
  Impact Factor Times cited Open Access
  Notes Approved Most recent IF: NA
  Call Number UA @ lucian @ c:irua:149949 Serial 4978
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Author Peymanirad, F.; Singh, S.K.; Ghorbanfekr-Kalashami, H.; Novoselov, K.S.; Peeters, F.M.; Neek-Amal, M.
  Title Thermal activated rotation of graphene flake on graphene Type A1 Journal article
  Year (up) 2017 Publication 2D materials Abbreviated Journal 2D Mater
  Volume 4 Issue 2 Pages 025015
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract The self rotation of a graphene flake over graphite is controlled by the size, initial misalignment and temperature. Using both ab initio calculations and molecular dynamics simulations, we investigate annealing effects on the self rotation of a graphene flake on a graphene substrate. The energy barriers for rotation and drift of a graphene flake over graphene is found to be smaller than 25 meV/atom which is comparable to thermal energy. We found that small flakes (of about similar to 4 nm) are more sensitive to temperature and initial misorientation angles than larger one (beyond 10 nm). The initial stacking configuration of the flake is found to be important for its dynamics and time evolution of misalignment. Large flakes, which are initially in the AA-or AB-stacking state with small misorientation angle, rotate and end up in the AB-stacking configuration. However small flakes can they stay in an incommensurate state specially when the initial misorientation angle is larger than 2 degrees. Our results are in agreement with recent experiments.
  Address
  Corporate Author Thesis
  Publisher IOP Publishing Place of Publication Bristol Editor
  Language Wos 000424399600005 Publication Date 2017-02-02
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2053-1583 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 6.937 Times cited 16 Open Access
  Notes ; We would like to acknowledge Annalisa Fasolino and MM van Wijk for providing us with the implemented parameters of REBO-KC [5] in LAMMPS. This work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem foundation. ; Approved Most recent IF: 6.937
  Call Number UA @ lucian @ c:irua:149364 Serial 4984
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Author Bueken, B.; Van Velthoven, N.; Willhammar, T.; Stassin, T.; Stassen, I.; Keen, D.A.; Baron, G.V.; Denayer, J.F.M.; Ameloot, R.; Bals, S.; De Vos, D.; Bennett, T.D.
  Title Gel-based morphological design of zirconium metal-organic frameworks Type A1 Journal article
  Year (up) 2017 Publication Chemical science Abbreviated Journal Chem Sci
  Volume 8 Issue 8 Pages 3939-3948
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract The ability of metal-organic frameworks (MOFs) to gelate under specific synthetic conditions opens up new opportunities in the preparation and shaping of hierarchically porous MOF monoliths, which could be directly implemented for catalytic and adsorptive applications. In this work, we present the first examples of xero-or aerogel monoliths consisting solely of nanoparticles of several prototypical Zr4+-based MOFs: UiO-66-X (X – H, NH2, NO2, (OH)(2)), UiO-67, MOF-801, MOF-808 and NU-1000. High reactant and water concentrations during synthesis were observed to induce the formation of gels, which were converted to monolithic materials by drying in air or supercritical CO2. Electron microscopy, combined with N-2 physisorption experiments, was used to show that irregular nanoparticle packing leads to pure MOF monoliths with hierarchical pore systems, featuring both intraparticle micropores and interparticle mesopores. Finally, UiO-66 gels were shaped into monolithic spheres of 600 mm diameter using an oil-drop method, creating promising candidates for packed-bed catalytic or adsorptive applications, where hierarchical pore systems can greatly mitigate mass transfer limitations.
  Address
  Corporate Author Thesis
  Publisher Royal Society of Chemistry Place of Publication Cambridge Editor
  Language Wos 000400553000077 Publication Date 2017-03-23
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2041-6520 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 8.668 Times cited 168 Open Access OpenAccess
  Notes ; B. B., T. S. and I. S. acknowledge the FWO Flanders (doctoral and post-doctoral grants). T. W. acknowledges a post-doctoral grant from the Swedish Research Council. T. D. B. acknowledges the Royal Society (University Research Fellowship) and Trinity Hall (University of Cambridge) for funding. S. B. and D. D. V. are grateful for funding by Belspo (IAP 7/05 P6/27) and by the FWO Flanders. D. D. V. further acknowledges funding from the European Research Council (project H-CCAT). S. B. acknowledges financial support from the European Research Council (ERC Starting Grant #335078-COLOURATOMS). The authors acknowledge Arnau Carne and Shuhei Furukawa for assistance with supercritical CO<INF>2</INF> extraction, and Charles Ghesquiere for assistance in synthesis. ; Ecas_Sara Approved Most recent IF: 8.668
  Call Number UA @ lucian @ c:irua:152643UA @ admin @ c:irua:152643 Serial 5143
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Author Liao, Z.; Gauquelin, N.; Green, R.J.; Macke, S.; Gonnissen, J.; Thomas, S.; Zhong, Z.; Li, L.; Si, L.; Van Aert, S.; Hansmann, P.; Held, K.; Xia, J.; Verbeeck, J.; Van Tendeloo, G.; Sawatzky, G.A.; Koster, G.; Huijben, M.; Rijnders, G.
  Title Thickness dependent properties in oxide heterostructures driven by structurally induced metal-oxygen hybridization variations Type A1 Journal article
  Year (up) 2017 Publication Advanced functional materials Abbreviated Journal Adv Funct Mater
  Volume 27 Issue 17 Pages 1606717
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
  Abstract Thickness-driven electronic phase transitions are broadly observed in different types of functional perovskite heterostructures. However, uncertainty remains whether these effects are solely due to spatial confinement, broken symmetry, or rather to a change of structure with varying film thickness. Here, this study presents direct evidence for the relaxation of oxygen-2p and Mn-3d orbital (p-d) hybridization coupled to the layer-dependent octahedral tilts within a La2/3Sr1/3MnO3 film driven by interfacial octahedral coupling. An enhanced Curie temperature is achieved by reducing the octahedral tilting via interface structure engineering. Atomically resolved lattice, electronic, and magnetic structures together with X-ray absorption spectroscopy demonstrate the central role of thickness-dependent p-d hybridization in the widely observed dimensionality effects present in correlated oxide heterostructures.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000400449200011 Publication Date 2017-03-15
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1616-301x ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 12.124 Times cited 55 Open Access
  Notes M.H., G.K., and G.R. acknowledge funding from DESCO program of the Dutch Foundation for Fundamental Research on Matter (FOM) with financial support from the Netherlands Organization for Scientific Research (NWO). This work was funded by the European Union Council under the 7th Framework Program (FP7) Grant No. NMP3-LA-2010-246102 IFOX. J.V. and S.V.A. acknowledge financial support from the Research Foundation Flanders (FWO, Belgium) through project fundings (Grant Nos. G.0044.13N, G.0374.13N, G.0368.15N, and G.0369.15N). The Qu-Ant-EM microscope was partly funded by the Hercules fund from the Flemish Government. N.G. acknowledges funding from the European Research Council under the 7th Framework Program (FP7), ERC Starting Grant No. 278510 VORTEX. N.G., J.G., S.V.A., and J.V. acknowledge financial support from the European Union under the Seventh Framework Program under a contract for an Integrated Infrastructure Initiative (Reference No. 312483-ESTEEM2). The Canadian work was supported by NSERC and the Max Planck-UBC Centre for Quantum Materials. Some experiments for this work were performed at the Canadian Light Source, which was funded by the Canada Foundation for Innovation, NSERC, the National Research Council of Canada, the Canadian Institutes of Health Research, the Government of Saskatchewan, Western Economic Diversification Canada, and the University of Saskatchewan. Approved Most recent IF: 12.124
  Call Number UA @ admin @ c:irua:152640 Serial 5367
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Author Ramaneti, R.; Sankaran, K.J.; Korneychuk, S.; Yeh, C.J.; Degutis, G.; Leou, K.C.; Verbeeck, J.; Van Bael, M.K.; Lin, I.N.; Haenen, K.
  Title Vertically aligned diamond-graphite hybrid nanorod arrays with superior field electron emission properties Type A1 Journal article
  Year (up) 2017 Publication APL materials Abbreviated Journal Apl Mater
  Volume 5 Issue 6 Pages 066102
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
  Abstract A “patterned-seeding technique” in combination with a “nanodiamond masked reactive ion etching process” is demonstrated for fabricating vertically aligned diamond-graphite hybrid (DGH) nanorod arrays. The DGH nanorod arrays possess superior field electron emission (FEE) behavior with a low turn-on field, long lifetime stability, and large field enhancement factor. Such an enhanced FEE is attributed to the nanocomposite nature of theDGHnanorods, which contain sp(2)-graphitic phases in the boundaries of nano-sized diamond grains. The simplicity in the nanorod fabrication process renders the DGH nanorods of greater potential for the applications as cathodes in field emission displays and microplasma display devices. (C) 2017 Author(s). All article content, except where otherwise noted, is licensed under a Creative Commons Attribution (CC BY) license.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000404623000002 Publication Date 2017-06-08
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2166-532x ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 4.335 Times cited 16 Open Access
  Notes The authors would like to thank the Methusalem “NANO” network for financial support and Mr. B. Ruttens and Professor Jan D'Haen for technical and experimental assistance. K.J. Sankaran is a Postdoctoral Fellow of the Research Foundation-Flanders (FWO). Approved Most recent IF: 4.335
  Call Number UA @ admin @ c:irua:152633 Serial 5369
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Author Vermeulen, M.; Sanyova, J.; Janssens, K.; Nuyts, G.; De Meyer, S.; De Wael, K.
  Title The darkening of copper- or lead-based pigments explained by a structural modification of natural orpiment : a spectroscopic and electrochemical study Type A1 Journal article
  Year (up) 2017 Publication Journal of analytical atomic spectrometry Abbreviated Journal J Anal Atom Spectrom
  Volume 32 Issue 7 Pages 1331-1341
  Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
  Abstract A combined Raman and electrochemical study of natural orpiment (As2S3), an arsenic sulfide pigment, was used to assess the quick formation of oxidized species such as arsenic oxide (As2O3) upon exposing the pigment to 405 nm or 532 nm monochromatic light while simultaneously recording the Raman spectra of the exposed sample. During this process, a distortion of the main band at 355 cm−1, associated with the stretching of the AsS3/2 pyramids of natural orpiment, was observed as well as an increased intensity of the 359 cm−1 band, corresponding to covalent AsAs bonds in natural orpiment. The distortion was accompanied by an overall decrease of the global Raman signal for natural orpiment, which could be explained by a loss in the crystal structure. The same phenomena were recorded in reference natural orpiment model paint samples stored for a long time together with verdigris (Cu(OH)2·(CH3COO)2·5H2O) and minium (Pb3O4) paints, the latter two appearing darkened on their sides closest to the orpiment sample as well as in several historical samples containing natural orpiment mixed with various blue pigments. By SEM-EDX and XRPD analysis, respectively on loose material and cast thin-sections of model paint samples, the darkening was identified as dark sulfide species such as chalcocite (Cu2S) and galena (PbS), suggesting the release of volatile sulfide or related species by the natural orpiment paint. XANES analyses of paint samples presenting AsAs bond increase indicated the presence of sulfur species most likely identified as organosulfur compounds formed upon the AsAs bond formation and explained the darkening of the Cu- and Pb-based pigments. To the best of our knowledge, this article reports for the first time the light-induced formation of AsAs bonds in natural orpiment used as an artists' pigment and objectively demonstrates the incompatibility between orpiment and (arsenic) sulfide-sensitive pigments.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000404998500007 Publication Date 2017-05-31
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0267-9477 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 3.379 Times cited 10 Open Access
  Notes ; This research is made possible with the support of the Belgian Science Policy Office (BELSPO, Brussels) through the research program Science for a Sustainable Development – SDD, “Long-term role and fate of metal-sulfides in painted works of art – S2ART” (SD/RI/04A). We gratefully acknowledge Julie Arslanoglu (Conservation and Scientific Research Department at the Metropolitan Museum of Art, New York, USA) for providing us the orpiment, verdigris and minium mock-up samples. We gratefully acknowledge the Paul Scherrer Institut, Villigen, Switzerland and the German Electron Synchrotron (DESY) for provision of synchrotron radiation beamtimes at respectively beamlines of the SLS and Petra III. ; Approved Most recent IF: 3.379
  Call Number UA @ admin @ c:irua:144384 Serial 5564
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Author van der Snickt, G.; Dubois, H.; Sanyova, J.; Legrand, S.; Coudray, A.; Glaude, C.; Postec, M.; van Espen, P.; Janssens, K.
  Title Large-area elemental imaging reveals Van Eyck's original paint layers on the Ghent altarpiece (1432), rescoping its conservation treatment Type A1 Journal article
  Year (up) 2017 Publication Angewandte Chemie: international edition in English Abbreviated Journal Angew Chem Int Edit
  Volume 56 Issue 17 Pages 4797-4801
  Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
  Abstract A combination of large-scale and micro-scale elemental imaging, yielding elemental distribution maps obtained by, respectively non-invasive macroscopic X-ray fluorescence (MA-XRF) and by secondary electron microscopy/energy dispersive X-ray analysis (SEM-EDX) and synchrotron radiation-based micro-XRF (SR m-XRF) imaging was employed to reorient and optimize the conservation strategy of van Eyck's renowned Ghent Altarpiece. By exploiting the penetrative properties of X-rays together with the elemental specificity offered by XRF, it was possible to visualize the original paint layers by van Eyck hidden below the overpainted surface and to simultaneously assess their condition. The distribution of the high-energy Pb-L and Hg-L emission lines revealed the exact location of hidden paint losses, while Fe-K maps demonstrated how and where these lacunae were filled-up using an iron-containing material. The chemical maps nourished the scholarly debate on the overpaint removal with objective, chemical arguments, leading to the decision to remove all skillfully applied overpaints, hitherto interpreted as work by van Eyck. MA-XRF was also employed for monitoring the removal of the overpaint during the treatment phase. To gather complementary information on the in-depth layer build-up, SEM-EDX and SR mu-XRF imaging was used on paint cross sections to record microscale elemental maps.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000398576000019 Publication Date 2017-03-23
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1433-7851; 0570-0833 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 11.994 Times cited 11 Open Access
  Notes ; This research was supported by the Baillet Latour fund, the Belgian Science Policy Office (Projects MO/39/011) and the Gieskes-Strijbis fund. The authors are also indebted to the BOF-GOA SOLAR Paint project of the University of Antwerp Research Council. The church wardens of the cathedral of St. Bavo and their chairman L. Collin are acknowledged for this agreeable collaboration. We also wish to thank conservators L. Depuydt, B. De Volder, F. Rosier, N. Laquiere and G. Steyaert as well as the members of the international committee. We are indebted to Prof. Em. A. Van Grevenstein-Kruse. ; Approved Most recent IF: 11.994
  Call Number UA @ admin @ c:irua:142376 Serial 5688
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Author Cotte, M.; Checroun, E.; De Nolf, W.; Taniguchi, Y.; De Viguerie, L.; Burghammer, M.; Walter, P.; Rivard, C.; Salome, M.; Janssens, K.; Susini, J.
  Title Lead soaps in paintings : friends or foes? Type A1 Journal article
  Year (up) 2017 Publication Studies in conservation Abbreviated Journal Stud Conserv
  Volume 62 Issue 1 Pages 2-23
  Keywords A1 Journal article; Art; History; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
  Abstract The origin(s) and role(s) of metal soaps in paints are a worldwide concern today. These hybrid compounds, containing both fatty acid chains and metals associated with a carboxylate function, are increasingly identified in paints. As reviewed in the first part of this work, the presence of metal soaps in paints is differently interpreted in scientific publications: metal soaps are sometimes considered to play a positive role as anchor points, during paint drying processes; they can also be considered as responsible for many degradation processes (protrusions, efflorescences, darkening, etc.). Their origins are also interpreted in various ways. In some paintings (in particular from the twentieth century), they have sometimes introduced on purpose, as additives, to modify the physical properties of the painting materials. In older paintings, metal soaps are usually thought to result from an uncontrolled reaction of oil with lead-based pigments, in particular lead white, red lead, and lead tin yellow. In the second part of this work, the review of historical recipes of lead-based paint shows an important number of recipes based on controlled mixing of oil with lead driers. In the third part, the experimental reproduction of such traditional recipes using walnut oil and litharge (PbO) shows that lead soaps can be formed, both in about one hour at approximate to 100 degrees C, or in about one month at room temperature. It shows as well that after a few years, litharge is no longer detected in the paint medium, while different lead carbonates are. Finally, the micro-infrared spectroscopy and micro-X-ray diffraction re-analysis of protrusions from a nine-year model painting shows together with lead soaps, the presence of Pb-5(CO3)(3)(OH)(2)O ('synthetic plumbonacrite'), an unusual phase recently observed in a protrusion from a painting by Vincent Van Gogh. This work highlights (i) the multiple origins and roles of metal soaps in paints and (ii) the importance of combining the analysis of fragments from historical paintings with the analysis and reproduction of historical recipes. In particular, we show that the components detected today in historical paintings may severely differ from those originally used or prepared by the painter, complicating the assessment of the painter's intentions. More than the presence of metal soaps, the key questions to be tackled should be about their origins and (re)mobilization.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000393691200002 Publication Date 2016-10-03
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0039-3630; 2047-0584 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 0.578 Times cited 26 Open Access
  Notes ; This work was supported by the European Synchrotron Radiation Facility. ; Approved Most recent IF: 0.578
  Call Number UA @ admin @ c:irua:141976 Serial 5690
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