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Author Mourdikoudis, S.; Chirea, M.; Zanaga, D.; Altantzis, T.; Mitrakas, M.; Bals, S.; Marzán, L.M.; Pérez-Juste, J.; Pastoriza-Santos, I.
  Title Governing the morphology of PtAu heteronanocrystals with improved electrocatalytic performance Type A1 Journal article
  Year 2015 Publication Nanoscale Abbreviated Journal Nanoscale
  Volume 7 Issue 7 Pages 8739-8747
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
  Abstract Platinumgold heteronanostructures comprising either dimer (PtAu) or coresatellite (Pt@Au) configurations were synthesized by means of a seeded growth procedure using platinum nanodendrites as seeds. Careful control of the reduction kinetics of the gold precursor can be used to direct the nucleation and growth of gold nanoparticles on either one or multiple surface sites simultaneously, leading to the formation of either dimers or coresatellite nanoparticles, respectively, in high yields. Characterization by electron tomography and high resolution electron microscopy provided a better understanding of the actual three-dimensional particle morphology, as well as the AuPt interface, revealing quasi-epitaxial growth of Au on Pt. The prepared PtAu bimetallic nanostructures are highly efficient catalysts for ethanol oxidation in alkaline solution, showing accurate selectivity, high sensitivity, and improved efficiency by generating higher current densities than their monometallic counterparts.
  Address (down)
  Corporate Author Thesis
  Publisher Place of Publication Cambridge Editor
  Language Wos 000354204400011 Publication Date 2015-03-12
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2040-3364;2040-3372; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 7.367 Times cited 41 Open Access OpenAccess
  Notes 335078 Colouratom; 262348 Esmi; ECAS_Sara; (ROMEO:yellow; preprint:; postprint:restricted ; pdfversion:cannot); Approved Most recent IF: 7.367; 2015 IF: 7.394
  Call Number c:irua:126354 Serial 1360
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Author Sahin, H.; Leenaerts, O.; Singh, S.K.; Peeters, F.M.
  Title Graphane Type A1 Journal article
  Year 2015 Publication Wiley Interdisciplinary Reviews: Computational Molecular Science Abbreviated Journal Wires Comput Mol Sci
  Volume 5 Issue 5 Pages 255-272
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract Atomically thin crystals have recently been the focus of attention, in particular, after the synthesis of graphene, a monolayer hexagonal crystal structure of carbon. In this novel material class, the chemically derived graphenes have attracted tremendous interest. It was shown that, although bulk graphite is a chemically inert material, the surface of single layer graphene is rather reactive against individual atoms. So far, synthesis of several graphene derivatives have been reported such as hydrogenated graphene graphane' (CH), fluorographene (CF), and chlorographene (CCl). Moreover, the stability of bromine and iodine covered graphene were predicted using computational tools. Among these derivatives, easy synthesis, insulating electronic behavior and reversibly tunable crystal structure of graphane make this material special for future ultra-thin device applications. This overview surveys structural, electronic, magnetic, vibrational, and mechanical properties of graphane. We also present a detailed overview of research efforts devoted to the computational modeling of graphane and its derivatives. Furthermore recent progress in synthesis techniques and possible applications of graphane are reviewed as well. WIREs Comput Mol Sci 2015, 5:255-272. doi: 10.1002/wcms.1216 For further resources related to this article, please visit the . Conflict of interest: The authors have declared no conflicts of interest for this article.
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  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000352862700001 Publication Date 2015-03-12
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1759-0876; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 14.016 Times cited 54 Open Access
  Notes ; This work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem foundation of the Flemish government. H. Sahin is supported by a FWO Pegasus Long Marie Curie Fellowship. ; Approved Most recent IF: 14.016; 2015 IF: 11.885
  Call Number c:irua:125996 Serial 1366
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Author Pizzochero, M.; Leenaerts, O.; Partoens, B.; Martinazzo, R.; Peeters, F.M.
  Title Hydrogen adsorption on nitrogen and boron doped graphene Type A1 Journal article
  Year 2015 Publication Journal of physics : condensed matter Abbreviated Journal J Phys-Condens Mat
  Volume 27 Issue 27 Pages 425502
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract Hydrogen adsorption on boron and nitrogen doped graphene is investigated in detail by means of first-principles calculations. A comprehensive study is performed of the structural, electronic, and magnetic properties of chemisorbed hydrogen atoms and atom pairs near the dopant sites. The main effect of the substitutional atoms is charge doping which is found to greatly affect the adsorption process by increasing the binding energy at the sites closest to the substitutional species. It is also found that doping does not induce magnetism despite the odd number of electrons per atom introduced by the foreign species, and that it quenches the paramagnetic response of chemisorbed H atoms on graphene. Overall, the effects are similar for B and N doping, with only minor differences in the adsorption energetics due to different sizes of the dopant atoms and the accompanying lattice distortions.
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  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language English Wos 000362573500008 Publication Date 2015-10-06
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0953-8984;1361-648X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 2.649 Times cited 20 Open Access
  Notes This work was supported by the Flemish Science Foundation (FWO-Vl). MP gratefully acknowledges the Condensed Matter Theory group at Universiteit Antwerpen for the hospitality during his stay. Approved Most recent IF: 2.649; 2015 IF: 2.346
  Call Number c:irua:128759 Serial 3971
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Author Yalcin, A.O.; Goris, B.; van Dijk-Moes, R.J.A.; Fan, Z.; Erdamar, A.K.; Tichelaar, F.D.; Vlugt, T.J.H.; Van Tendeloo, G.; Bals, S.; Vanmaekelbergh, D.; Zandbergen, H.W.; van Huis, M.A.;
  Title Heat-induced transformation of CdSe-CdS-ZnS coremultishell quantum dots by Zn diffusion into inner layers Type A1 Journal article
  Year 2015 Publication Chemical communications Abbreviated Journal Chem Commun
  Volume 51 Issue 51 Pages 3320-3323
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract In this work, we investigate the thermal evolution of CdSeCdSZnS coremultishell quantum dots (QDs) in situ using transmission electron microscopy (TEM). Starting at a temperature of approximately 250 °C, Zn diffusion into inner layers takes place together with simultaneous evaporation of particularly Cd and S. As a result of this transformation, CdxZn1−xSeCdyZn1−yS coreshell QDs are obtained.
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  Corporate Author Thesis
  Publisher Place of Publication London Editor
  Language Wos 000349325000004 Publication Date 2014-11-21
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1359-7345;1364-548X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 6.319 Times cited 21 Open Access OpenAccess
  Notes 262348 Esmi; Fwo; 246791 Countatoms; 335078 Colouratom; ECAS_Sara; (ROMEO:yellow; preprint:; postprint:restricted ; pdfversion:cannot); Approved Most recent IF: 6.319; 2015 IF: 6.834
  Call Number c:irua:132582 Serial 1412
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Author Moldovan, D.; Peeters, F.M.
  Title Strain engineering of the electronic properties of bilayer graphene quantum dots: Strain engineering of the electronic properties of bilayer graphene quantum dots Type A1 Journal article
  Year 2015 Publication Physica status solidi: rapid research letters Abbreviated Journal Phys Status Solidi-R
  Volume 10 Issue 10 Pages 39-45
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract We study the effect of mechanical deformations on the elec- tronic properties of hexagonal flakes of bilayer graphene. The behavior of electrons induced by triaxial strain can be de- scribed by an effective pseudo-magnetic field which is homo- geneous in the center of the flake. We find that in-plane strain, applied to both layers equally, can break the layer symmetry leading to different behavior in the top and bottom layers of graphene. At low energy, just one of the layers feels

the pseudo-magnetic field: the zero-energy pseudo-Landau level is missing in the second layer, thus creating a gap be- tween the lowest non-zero levels. While the layer asymmetry is most significant at zero energy, interaction with the edges of the flake extends the effect to higher pseudo-Landau lev- els. The behavior of the top and bottom layers may be re- versed by rotating the triaxial strain by 60°.
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  Language Wos 000368814500005 Publication Date 2015-08-18
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1862-6254; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 3.032 Times cited 9 Open Access
  Notes This work was supported by the European Science Foundation (ESF) under the EUROCORES Program EuroGRAPHENE within the project CONGRAN, the Flemish Science Foundation (FWO-Vl) and the Methusalem Funding of the Flemish Government. Approved Most recent IF: 3.032; 2015 IF: 2.142
  Call Number c:irua:129592 Serial 3970
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Author Krause, F.F.; Ahl, J.P.; Tytko, D.; Choi, P.P.; Egoavil, R.; Schowalter, M.; Mehrtens, T.; Müller-Caspary, K.; Verbeeck, J.; Raabe, D.; Hertkorn, J.; Engl, K.; Rosenauer, A.
  Title Homogeneity and composition of AlInGaN : a multiprobe nanostructure study Type A1 Journal article
  Year 2015 Publication Ultramicroscopy Abbreviated Journal Ultramicroscopy
  Volume 156 Issue 156 Pages 29-36
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract The electronic properties of quaternary AlInGaN devices significantly depend on the homogeneity of the alloy. The identification of compositional fluctuations or verification of random-alloy distribution is hence of grave importance. Here, a comprehensive multiprobe study of composition and compositional homogeneity is presented, investigating AlInGaN layers with indium concentrations ranging from 0 to 17 at% and aluminium concentrations between 0 and 39 at% employing high-angle annular dark field scanning electron microscopy (HAADF STEM), energy dispersive X-ray spectroscopy (EDX) and atom probe tomography (APT). EDX mappings reveal distributions of local concentrations which are in good agreement with random alloy atomic distributions. This was hence investigated with HAADF STEM by comparison with theoretical random alloy expectations using statistical tests. To validate the performance of these tests, HAADF STEM image simulations were carried out for the case of a random-alloy distribution of atoms and for the case of In-rich clusters with nanometer dimensions. The investigated samples, which were grown by metal-organic vapor phase epitaxy (MOVPE), were thereby found to be homogeneous on this nanometer scale. Analysis of reconstructions obtained from APT measurements yielded matching results. Though HAADF STEM only allows for the reduction of possible combinations of indium and aluminium concentrations to the proximity of isolines in the two-dimensional composition space. The observed ranges of composition are in good agreement with the EDX and APT results within the respective precisions.
  Address (down)
  Corporate Author Thesis
  Publisher Place of Publication Amsterdam Editor
  Language Wos 000361001800006 Publication Date 2015-04-26
  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 11 Open Access
  Notes 312483 Esteem2; esteem2_ta Approved Most recent IF: 2.843; 2015 IF: 2.436
  Call Number c:irua:126965 c:irua:126965UA @ admin @ c:irua:126965 Serial 1485
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Author Milovanović, S.P.; Moldovan, D.; Peeters, F.M.
  Title Veselago lensing in graphene with a p-n junction: Classical versus quantum effects Type A1 Journal article
  Year 2015 Publication Journal of applied physics Abbreviated Journal J Appl Phys
  Volume 118 Issue 118 Pages 154308
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract The feasibility of Veselago lensing in graphene with a p-n junction is investigated numerically for realistic injection leads. Two different set-ups with two narrow leads are considered with absorbing or reflecting side edges. This allows us to separately determine the influence of scattering on electron focusing for the edges and the p-n interface. Both semiclassical and tight-binding simulations show a distinctive peak in the transmission probability that is attributed to the Veselago lensing effect. We investigate the robustness of this peak on the width of the injector, the position of the p-n interface, and different gate potential profiles. Furthermore, the influence of scattering by both short- and long-range impurities is considered.
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  Publisher Place of Publication Editor
  Language Wos 000363535800022 Publication Date 2015-10-20
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0021-8979;1089-7550; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 2.068 Times cited 19 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: 2.068; 2015 IF: 2.183
  Call Number c:irua:129452 Serial 3969
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Author Muguerra, H.; Pescheux, A.-C.; Meledin, A.; Van Tendeloo, G.; Soubeyroux, J.-L.
  Title A La2−xGdxZr2O7layer deposited by chemical solution: a promising seed layer for the fabrication of high Jcand low cost coated conductors Type A1 Journal article
  Year 2015 Publication Journal of materials chemistry C : materials for optical and electronic devices Abbreviated Journal J Mater Chem C
  Volume 3 Issue 3 Pages 11766-11772
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract We deposited La2-xGdxZr2O7 seed layers by a chemical solution method on a Ni-5%W substrate to study the influence of these layers on the growth process of a 60 nm-thick La2Zr2O7 layer. We measured the performances of these new buffer layers integrated in a coated conductor with a 300 nm-thick Y0.5Gd0.5Ba2Cu3O7-x layer. For the seed layers{,} we considered two different gadolinium contents (x = 0.2 and x = 0.8) and three different thicknesses for these compositions (20 nm{,} 40 nm{,} and 60 nm). The most promising buffer layer stacks are those with 20 nm of the La1.8Gd0.2Zr2O7 layer or La1.2Gd0.8Zr2O7. Indeed the La2-xGdxZr2O7/La2Zr2O7 films are highly textured{,} similar to a 100 nm-thick La2Zr2O7 layer{,} but their roughness is four times lower. Moreover they contain less and smaller pores in the seed layer than a pure La2Zr2O7 layer. The surface of La2Zr2O7 is also homogenous and crystalline with an orientation deviation from the ideal ?011? (100) direction below 10[degree]. With the 20 nm La2-xGdxZr2O7 seed layers we obtain in the coated conductors an efficiently textured transfer with no gradual degradation from the substrate throughout the superconducting layer. The highest Tc and Jc values are achieved with the La1.8Gd0.2Zr2O7 layer and are{,} respectively{,} 91 K and 1.4 MA cm-2. This trend seems to be due to an improvement of the surface quality of the Ni5%W substrate by the addition of a thin seed layer. Our results offer the potential of the La2-xGdxZr2O7 seed layers as promising alternatives for the classic Ni-5%W/LZO/CeO2/YBCO architectures.
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  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000364826000024 Publication Date 2015-10-21
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2050-7526;2050-7534; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 5.256 Times cited 4 Open Access
  Notes This work was performed within the framework of the EUROTAPES project (FP7-NMP.2011.2.2-1 Grant no. 280438), funded by the European Union. The authors also thank L. Porcar and P. Chometon for superconducting transition temperature and critical current density measurements and P. Odier for fruitful discussion. Approved Most recent IF: 5.256; 2015 IF: 4.696
  Call Number c:irua:130181 Serial 3968
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Author Van Boxem, R.; Partoens, B.; Verbeeck, J.
  Title Inelastic electron-vortex-beam scattering Type A1 Journal article
  Year 2015 Publication Physical review : A : atomic, molecular and optical physics Abbreviated Journal Phys Rev A
  Volume 91 Issue 91 Pages 032703
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)
  Abstract Recent theoretical and experimental developments in the field of electron-vortex-beam physics have raised questions about what exactly this novelty in the field of electron microscopy (and other fields, such as particle physics) really provides. An important part of the answer to these questions lies in scattering theory. The present investigation explores various aspects of inelastic quantum scattering theory for cylindrically symmetric beams with orbital angular momentum. The model system of Coulomb scattering on a hydrogen atom provides the setting to address various open questions: How is momentum transferred? Do vortex beams selectively excite atoms, and how can one employ vortex beams to detect magnetic transitions? The analytical approach presented here provides answers to these questions. OAM transfer is possible, but not through selective excitation; rather, by pre- and postselection one can filter out the relevant contributions to a specific signal.
  Address (down)
  Corporate Author Thesis
  Publisher Place of Publication Lancaster, Pa Editor
  Language Wos 000351035000004 Publication Date 2015-03-16
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1050-2947;1094-1622; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 2.925 Times cited 31 Open Access
  Notes Fwo; 312483 Esteem2; 278510 Vortex; esteem2jra3 ECASJO; Approved Most recent IF: 2.925; 2015 IF: 2.808
  Call Number c:irua:123925 c:irua:123925UA @ admin @ c:irua:123925 Serial 1607
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Author Sentosun, K.; Sanz Ortiz, M.N.; Batenburg, K.J.; Liz-Marzán, L.M.; Bals, S.
  Title Combination of HAADF-STEM and ADF-STEM Tomography for Core-Shell Hybrid Materials Type A1 Journal article
  Year 2015 Publication Particle and particle systems characterization Abbreviated Journal Part Part Syst Char
  Volume 32 Issue 32 Pages 1063-1067
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Vision lab
  Abstract Characterization of core-shell type nanoparticles in 3D by transmission electron microscopy (TEM) can be very challenging. Especially when both heavy and light elements co-exist within the same nanostructure, artefacts in the 3D reconstruction are often present. A representative example would be a particle comprising an anisotropic metallic (Au) nanoparticle coated with a (mesoporous) silica shell. To obtain a reliable 3D characterization of such an object, we propose a dose-efficient strategy to simultaneously acquire high angle annular dark field scanning TEM and annular dark field tilt series for tomography. The 3D reconstruction is further improved by applying an advanced masking and interpolation approach to the acquired data. This new methodology enables us to obtain high quality reconstructions from which also quantitative information can be extracted. This approach is broadly applicable to investigate hybrid core-shell materials.
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  Language Wos 000368446800003 Publication Date 2015-10-13
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0934-0866; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 4.474 Times cited 13 Open Access OpenAccess
  Notes S.B. acknowledges financial support from European Research Council (ERC) (ERC Starting Grant #335078-COLOURATOM). L.M. acknowledges funding from the EU, Grant# 310651-2 Self-Assembly in Confined Space (SACS). K.J.B acknowledges financial support from the Netherlands Organisation for Scientific Research (NWO), project number 639.072.005 and NWO CW 700.57.026. Networking support was provided by COST Action MP1207. The authors acknowledge the European Union under the Seventh Framework Program under a contract for an Integrated Infrastructure Initiative, Reference No. 312483-ESTEEM2 for financial support.; esteem2jra4; ECASSara; (ROMEO:yellow; preprint:; postprint:restricted ; pdfversion:cannot); Approved Most recent IF: 4.474; 2015 IF: 3.081
  Call Number c:irua:129590 c:irua:129590 Serial 3967
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Author Cayado, P.; De Keukeleere, K.; Garzón, A.; Perez-Mirabet, L.; Meledin, A.; De Roo, J.; Vallés, F.; Mundet, B.; Rijckaert, H.; Pollefeyt, G.; Coll, M.; Ricart, S.; Palau, A.; Gázquez, J.; Ros, J.; Van Tendeloo, G.; Van Driessche, I.; Puig, T.; Obradors, X.
  Title Epitaxial YBa2Cu3O7−xnanocomposite thin films from colloidal solutions Type A1 Journal article
  Year 2015 Publication Superconductor science and technology Abbreviated Journal Supercond Sci Tech
  Volume 28 Issue 28 Pages 124007
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract A methodology of general validity to prepare epitaxial nanocomposite films based on the use of colloidal solutions containing different crystalline preformed oxide nanoparticles ( ex situ nanocomposites) is reported. The trifluoroacetate (TFA) metal–organic chemical solution deposition route is used with alcoholic solvents to grow epitaxial YBa 2 Cu 3 O 7 (YBCO) films. For this reason stabilizing oxide nanoparticles in polar solvents is a challenging goal. We have used scalable nanoparticle synthetic methodologies such as thermal and microwave-assisted solvothermal techniques to prepare CeO 2 and ZrO 2 nanoparticles. We show that stable and homogeneous colloidal solutions with these nanoparticles can be reached using benzyl alcohol, triethyleneglycol, nonanoic acid, trifluoroacetic acid or decanoic acid as protecting ligands, thereby allowing subsequent mixing with alcoholic TFA solutions. An elaborate YBCO film growth analysis of these nanocomposites allows the identification of the different relevant growth phenomena, e.g. nanoparticles pushing towards the film surface, nanoparticle reactivity, coarsening and nanoparticle accumulation at the substrate interface. Upon mitigation of these effects, YBCO nanocomposite films with high self-field critical currents ( J c ∼ 3–4 MA cm −2 at 77 K) were reached, indicating no current limitation effects associated with epitaxy perturbation, while smoothed magnetic field dependences of the critical currents at high magnetic fields and decreased effective anisotropic pinning behavior confirm the effectiveness of the novel developed approach to enhance vortex pinning. In conclusion, a novel low cost solution-derived route to high current nanocomposite superconducting films and coated conductors has been developed with very promising features.
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  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000366288100009 Publication Date 2015-11-16
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0953-2048;1361-6668; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 2.878 Times cited 32 Open Access
  Notes All authors acknowledge the EU (EU-FP7 NMP-LA-2012-280432 EUROTAPES project). ICMAB acknowledges MINECO (MAT2014-51778-C2-1-R) and Generalitat de Catalunya (2014SGR 753 and Xarmae). UGhent acknowledges the Special Research Fund (BOF), the Research Foundation Flanders (FWO) and the Institute for the Promotion of Innovation through Science and Technology in Flanders (IWT). TEM microscopy work was conducted in the Catalan Institute of Nanoscience and Nanotechnology (ICN2). The authors acknowledge the ICN2 Electron Microscopy Division for offering access to their instruments and expertise. Part of the STEM microscopy work was conducted in 'Laboratorio de Microscopias Avanzadas' at the Instituto de Nanociencia de Aragon—Universidad de Zaragoza. The authors acknowledge the LMA-INA for offering access to their instruments and expertise. JG and MC also acknowledge the Ramon y Cajal program (RYC-2012-11709 and RYC-2013-12448 respectively). Approved Most recent IF: 2.878; 2015 IF: 2.325
  Call Number c:irua:129593 Serial 3966
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Author van der Stam, W.; Berends, A.C.; Rabouw, F.T.; Willhammar, T.; Ke, X.; Meeldijk, J.D.; Bals, S.; de Donega, C.M.
  Title Luminescent CuInS2 quantum dots by partial cation exchange in Cu2-xS nanocrystals Type A1 Journal article
  Year 2015 Publication Chemistry of materials Abbreviated Journal Chem Mater
  Volume 27 Issue 27 Pages 621-628
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract Here, we show successful partial cation exchange reactions in Cu2-xS nanocrystals (NCs) yielding luminescent CuInS2 (CIS) NCs. Our approach of mild reaction conditions ensures slow Cu extraction rates, which results in a balance with the slow In incorporation rate. With this method, we obtain CIS NCs with photoluminescence (PL) far in the near-infrared (NIR), which cannot be directly synthesized by currently available synthesis protocols. We discuss the factors that favor partial, self-limited cation exchange from Cu2-xS to CIS NCs, rather than complete cation exchange to In2S3. The product CIS NCs have the wurtzite crystal structure, which is understood in terms of conservation of the hexagonal close packing of the anionic sublattice of the parent NCs into the product NCs. These results are an important step toward the design of CIS NCs with sizes and shapes that are not attainable by direct synthesis protocols and may thus impact a number of potential applications.
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  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000348618400028 Publication Date 2014-12-29
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0897-4756;1520-5002; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 9.466 Times cited 119 Open Access OpenAccess
  Notes 335078 Colouratom; 262348 Esmi; ECAS_Sara; (ROMEO:white; preprint:; postprint:restricted 12 months embargo; pdfversion:cannot); Approved Most recent IF: 9.466; 2015 IF: 8.354
  Call Number c:irua:125291 Serial 1858
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Author Goris, B.; de Beenhouwer, J.; de Backer, A.; Zanaga, D.; Batenburg, K.J.; Sánchez-Iglesias, A.; Liz-Marzán, L.M.; Van Aert, S.; Bals, S.; Sijbers, J.; Van Tendeloo, G.
  Title Measuring lattice strain in three dimensions through electron microscopy Type A1 Journal article
  Year 2015 Publication Nano letters Abbreviated Journal Nano Lett
  Volume 15 Issue 15 Pages 6996-7001
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Vision lab
  Abstract The three-dimensional (3D) atomic structure of nanomaterials, including strain, is crucial to understand their properties. Here, we investigate lattice strain in Au nanodecahedra using electron tomography. Although different electron tomography techniques enabled 3D characterizations of nanostructures at the atomic level, a reliable determination of lattice strain is not straightforward. We therefore propose a novel model-based approach from which atomic coordinates are measured. Our findings demonstrate the importance of investigating lattice strain in 3D.
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  Corporate Author Thesis
  Publisher Place of Publication Washington Editor
  Language Wos 000363003100108 Publication Date 2015-09-04
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1530-6984;1530-6992; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 12.712 Times cited 87 Open Access OpenAccess
  Notes Fwo; 335078 Colouratom; 267867 Plasmaquo; 312483 Esteem2; 262348 Esmi; esteem2jra4; ECASSara; (ROMEO:white; preprint:; postprint:restricted 12 months embargo; pdfversion:cannot); Approved Most recent IF: 12.712; 2015 IF: 13.592
  Call Number c:irua:127639 c:irua:127639 Serial 1965
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Author Zha, G.-Q.; Covaci, L.; Peeters, F.M.; Zhou, S.-P.
  Title Mixed pairing symmetries and flux-induced spin current in mesoscopic superconducting loops with spin correlations Type A1 Journal article
  Year 2015 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
  Volume 91 Issue 91 Pages 214504
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract We numerically investigate the mixed pairing symmetries inmesoscopic superconducting loops in the presence of spin correlations by solving the Bogoliubov-de Gennes equations self-consistently. The spatial variations of the superconducting order parameters and the spontaneous magnetization are determined by the band structure. When the threaded magnetic flux turns on, the charge and spin currents both emerge and depict periodic evolution. In the case of a mesoscopic loop with dominant triplet p(x) +/- ip(y)-wave symmetry, a slight change of the chemical potential may lead to novel flux-dependent evolution patterns of the ground-state energy and the magnetization. The spin-polarized currents show pronounced quantum oscillations with fractional periods due to the appearance of energy jumps in flux, accompanied with a steplike feature of the enhanced spin current. Particularly, at some appropriate flux, the peaks of the zero-energy local density of states clearly indicate the occurrence of the odd-frequency pairing. In the case of a superconducting loop with dominant singlet d(x2-y2)-wave symmetry, the spatial profiles of the zero-energy local density of states and the magnetization show spin-dependent features on different sample diagonals. Moreover, the evolution of the flux-induced spin current always exhibits an hc/e periodicity.
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  Corporate Author Thesis
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  Language Wos 000355647100003 Publication Date 2015-06-05
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 3.836 Times cited 15 Open Access
  Notes ; This work was supported by the National Natural Science Foundation of China under Grants No. 61371020 and No. 61271163, by the Visiting Scholar Program of Shanghai Municipal Education Commission, and by the Flemish Science Foundation (FWO-Vl). ; Approved Most recent IF: 3.836; 2015 IF: 3.736
  Call Number c:irua:126433 Serial 2089
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Author Sheng, X.; Daems, N.; Geboes, B.; Kurttepeli, M.; Bals, S.; Breugelmans, T.; Hubin, A.; Vankelecom, I.F.J.; Pescarmona, P.P.
  Title N-doped ordered mesoporous carbons prepared by a two-step nanocasting strategy as highly active and selective electrocatalysts for the reduction of O2 to H2O2 Type A1 Journal article
  Year 2015 Publication Applied catalysis : B : environmental Abbreviated Journal Appl Catal B-Environ
  Volume 176-177 Issue 176-177 Pages 212-224
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Applied Electrochemistry & Catalysis (ELCAT)
  Abstract A new, two-step nanocasting method was developed to prepare N-doped ordered mesoporous carbon (NOMC) electrocatalysts for the reduction of O2 to H2O2. Our strategy involves the sequential pyrolysis of two inexpensive and readily available N and C precursors, i.e. aniline and dihydroxynaphthalene (DHN), inside the pores of a SBA-15 hard silica template to obtain N-doped graphitic carbon materials with well-ordered pores and high surface areas (764 and 877 m2g−1). By tuning the ratio of carbon sources to silica template, it was possible to achieve an optimal filling of the pores of the SBA-15 silica and to minimise carbon species outside the pores. These NOMC materials displayed outstanding electrocatalytic activity in the oxygen reduction reaction, achieving a remarkably enhanced kinetic current density compared to state-of-the-art N-doped carbon materials (−16.7 mA cm−2 at −0.35 V vs. Ag/AgCl in a 0.1 M KOH solution as electrolyte). The NOMC electrocatalysts showed high selectivity toward the two-electron reduction of oxygen to hydrogen peroxide and excellent long-term stability.
  Address (down)
  Corporate Author Thesis
  Publisher Place of Publication Amsterdam Editor
  Language Wos 000356549200022 Publication Date 2015-04-05
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0926-3373; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 9.446 Times cited 111 Open Access OpenAccess
  Notes 335078 Colouratom; ECAS_Sara; (ROMEO:green; preprint:; postprint:can ; pdfversion:cannot); Approved Most recent IF: 9.446; 2015 IF: 7.435
  Call Number c:irua:125370 Serial 2246
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Author Guerrero, A.; Pfannmöller, M.; Kovalenko, A.; Ripolles, T.S.; Heidari, H.; Bals, S.; Kaufmann, L.-D.; Bisquert, J.; Garcia-Belmonte, G.
  Title Nanoscale mapping by electron energy-loss spectroscopy reveals evolution of organic solar cell contact selectivity Type A1 Journal article
  Year 2015 Publication Organic electronics: physics, materials, applications Abbreviated Journal Org Electron
  Volume 16 Issue 16 Pages 227-233
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract Organic photovoltaic (OPV) devices are on the verge of commercialization being long-term stability a key challenge. Morphology evolution during lifetime has been suggested to be one of the main pathways accounting for performance degradation. There is however a lack of certainty on how specifically the morphology evolution relates to individual electrical parameters on operating devices. In this work a case study is created based on a thermodynamically unstable organic active layer which is monitored over a period of one year under non-accelerated degradation conditions. The morphology evolution is revealed by compositional analysis of ultrathin cross-sections using nanoscale imaging in scanning transmission electron microscopy (STEM) coupled with electron energy-loss spectroscopy (EELS). Additionally, devices are electrically monitored in real-time using the non-destructive electrical techniques capacitance-voltage (C-V) and Impedance Spectroscopy (IS). By comparison of imaging and electrical techniques the relationship between nanoscale morphology and individual electrical parameters of device operation can be conclusively discerned. It is ultimately observed how the change in the cathode contact properties occurring after the migration of fullerene molecules explains the improvement in the overall device performance. (C) 2014 Elsevier B.V. All rights reserved.
  Address (down)
  Corporate Author Thesis
  Publisher Place of Publication London Editor
  Language Wos 000345649500029 Publication Date 2014-11-17
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1566-1199; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 3.399 Times cited 24 Open Access OpenAccess
  Notes 287594 Sunflower; 335078 Colouratom; ECAS_Sara; (ROMEO:green; preprint:; postprint:can ; pdfversion:cannot); Approved Most recent IF: 3.399; 2015 IF: 3.827
  Call Number c:irua:122169 Serial 2267
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Author Yan, Y.; Zhou, X.; Jin, H.; Li, C.-Z.; Ke, X.; Van Tendeloo, G.; Liu, K.; Yu, D.; Dressel, M.; Liao, Z.-M.
  Title Surface-Facet-Dependent Phonon Deformation Potential in Individual Strained Topological Insulator Bi2Se3 Nanoribbons Type A1 Journal article
  Year 2015 Publication ACS nano Abbreviated Journal Acs Nano
  Volume 9 Issue 9 Pages 10244-10251
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
  Abstract Strain is an important method to tune the properties of topological insulators. For example, compressive strain can induce superconductivity in Bi2Se3 bulk material. Topological insulator nanostructures are the superior candidates to utilize the unique surface states due to the large surface to volume ratio. Therefore, it is highly desirable to monitor the local strain effects in individual topological insulator nanostructures. Here, we report the systematical micro-Raman spectra of single strained Bi2Se3 nanoribbons with different thicknesses and different surface facets, where four optical modes are resolved in both Stokes and anti-Stokes Raman spectral lines. A striking anisotropy of the strain dependence is observed in the phonon frequency of strained Bi2Se3 nanoribbons grown along the ⟨112̅0⟩ direction. The frequencies of the in-plane Eg2 and out-of-plane A1g1 modes exhibit a nearly linear blue-shift against bending strain when the nanoribbon is bent along the ⟨112̅0⟩ direction with the curved {0001} surface. In this case, the phonon deformation potential of the Eg2 phonon for 100 nm-thick Bi2Se3 nanoribbon is up to 0.94 cm–1/%, which is twice of that in Bi2Se3 bulk material (0.52 cm–1/%). Our results may be valuable for the strain modulation of individual topological insulator nanostructures.
  Address (down)
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language English Wos 000363915300079 Publication Date 2015-09-12
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1936-0851;1936-086X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 13.942 Times cited 14 Open Access
  Notes Y.Y. would like to thank Xuewen Fu for helpful discussions. This work was supported by MOST (Nos. 2013CB934600, 2013CB932602) and NSFC (Nos. 11274014, 11234001). Approved Most recent IF: 13.942; 2015 IF: 12.881
  Call Number c:irua:129216 Serial 3963
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Author McCalla, E.; Abakumov, A.; Rousse, G.; Reynaud, M.; Sougrati, M.T.; Budic, B.; Mahmoud, A.; Dominko, R.; Van Tendeloo, G.; Hermann, R.P.; Tarascon, J.M.;
  Title Novel complex stacking of fully-ordered transition metal layers in Li4FeSbO6 materials Type A1 Journal article
  Year 2015 Publication Chemistry of materials Abbreviated Journal Chem Mater
  Volume 27 Issue 27 Pages 1699-1708
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract As part of a broad project to explore Li4MM'O-6 materials (with M and M' being selected from a wide variety of metals) as positive electrode materials for Li-ion batteries, the structures of Li4FeSbO6 materials with both stoichiometric and slightly deficient lithium contents are studied here. For lithium content varying from 3.8 to 4.0, the color changes from yellow to black and extra superstructure peaks are seen in the XRD patterns. These extra peaks appear as satellites around the four superstructure peaks affected by the stacking of the transition metal atoms. Refinements of both XRD and neutron scattering patterns show a nearly perfect ordering of Li, Fe, and Sb in the transition metal layers of all samples, although these refinements must take the stacking faults into account in order to extract information about the structure of the TM layers. The structure of the most lithium rich sample, where the satellite superstructure peaks are seen, was determined with the help of HRTEM, XRD, and neutron scattering. The satellites arise due to a new stacking sequence where not all transition metal layers are identical but instead two slightly different compositions stack in an AABB sequence giving a unit cell that is four times larger than normal for such monoclinic layered materials. The more lithium deficient samples are found to contain metal site vacancies based on elemental analysis and Mossbauer spectroscopy results. The significant changes in physical properties are attributed to the presence of these vacancies. This study illustrates the great importance of carefully determining the final compositions in these materials, as very small differences in compositions may have large impacts on structures and properties.
  Address (down)
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000350919000032 Publication Date 2015-02-12
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0897-4756;1520-5002; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 9.466 Times cited 22 Open Access
  Notes Approved Most recent IF: 9.466; 2015 IF: 8.354
  Call Number c:irua:125469 Serial 2373
Permanent link to this record
 

 
Author Muñoz, W.A.; Covaci, L.; Peeters, F.M.
  Title Disordered graphene Josephson junctions Type A1 Journal article
  Year 2015 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
  Volume 91 Issue 91 Pages 054506
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract A tight-binding approach based on the Chebyshev-Bogoliubov-de Gennes method is used to describe disordered single-layer graphene Josephson junctions. Scattering by vacancies, ripples, or charged impurities is included. We compute the Josephson current and investigate the nature of multiple Andreev reflections, which induce bound states appearing as peaks in the density of states for energies below the superconducting gap. In the presence of single-atom vacancies, we observe a strong suppression of the supercurrent, which is a consequence of strong intervalley scattering. Although lattice deformations should not induce intervalley scattering, we find that the supercurrent is still suppressed, which is due to the presence of pseudomagnetic barriers. For charged impurities, we consider two cases depending on whether the average doping is zero, i.e., existence of electron-hole puddles, or finite. In both cases, short-range impurities strongly affect the supercurrent, similar to the vacancies scenario.
  Address (down)
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000349436500001 Publication Date 2015-02-06
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 3.836 Times cited 7 Open Access
  Notes This work was supported by the Flemish Science Foundation (FWO-Vlaanderen) and the Methusalem funding of the Flemish Government. Approved Most recent IF: 3.836; 2015 IF: 3.736
  Call Number c:irua:129192 Serial 3961
Permanent link to this record
 

 
Author de Backer, A.; De wael, A.; Gonnissen, J.; Van Aert, S.
  Title Optimal experimental design for nano-particle atom-counting from high-resolution STEM images Type A1 Journal article
  Year 2015 Publication Ultramicroscopy Abbreviated Journal Ultramicroscopy
  Volume 151 Issue 151 Pages 46-55
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract In the present paper, the principles of detection theory are used to quantify the probability of error for atom-counting from high resolution scanning transmission electron microscopy (HR STEM) images. Binary and multiple hypothesis testing have been investigated in order to determine the limits to the precision with which the number of atoms in a projected atomic column can be estimated. The probability of error has been calculated when using STEM images, scattering cross-sections or peak intensities as a criterion to count atoms. Based on this analysis, we conclude that scattering cross-sections perform almost equally well as images and perform better than peak intensities. Furthermore, the optimal STEM detector design can be derived for atom-counting using the expression for the probability of error. We show that for very thin objects LAADF is optimal and that for thicker objects the optimal inner detector angle increases.
  Address (down)
  Corporate Author Thesis
  Publisher Place of Publication Amsterdam Editor
  Language Wos 000351237800007 Publication Date 2014-11-11
  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 24 Open Access
  Notes 312483 Esteem2; Fwo G039311; G037413; esteem2_jra2 Approved Most recent IF: 2.843; 2015 IF: 2.436
  Call Number c:irua:123926 c:irua:123926 Serial 2481
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Author Sathiya, M.; Abakumov, A.M.; Foix, D.; Rousse, G.; Ramesha, K.; Saubanère, M.; Doublet, M. .; Vezin, H.; Laisa, C.P.; Prakash, A.S.; Gonbeau, D.; Van Tendeloo, G.; Tarascon, J.M.
  Title Origin of voltage decay in high-capacity layered oxide electrodes Type A1 Journal article
  Year 2015 Publication Nature materials Abbreviated Journal Nat Mater
  Volume 14 Issue 14 Pages 230-238
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract Although Li-rich layered oxides (Li1+xNiyCozMn1−x−y−zO2 > 250 mAh g−1) are attractive electrode materials providing energy densities more than 15% higher than todays commercial Li-ion cells, they suffer from voltage decay on cycling. To elucidate the origin of this phenomenon, we employ chemical substitution in structurally related Li2RuO3 compounds. Li-rich layered Li2Ru1−yTiyO3 phases with capacities of ~240 mAh g−1 exhibit the characteristic voltage decay on cycling. A combination of transmission electron microscopy and X-ray photoelectron spectroscopy studies reveals that the migration of cations between metal layers and Li layers is an intrinsic feature of the chargedischarge process that increases the trapping of metal ions in interstitial tetrahedral sites. A correlation between these trapped ions and the voltage decay is established by expanding the study to both Li2Ru1−ySnyO3 and Li2RuO3; the slowest decay occurs for the cations with the largest ionic radii. This effect is robust, and the finding provides insights into new chemistry to be explored for developing high-capacity layered electrodes that evade voltage decay.
  Address (down)
  Corporate Author Thesis
  Publisher Place of Publication London Editor
  Language Wos 000348600200024 Publication Date 2014-12-01
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1476-1122;1476-4660; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 39.737 Times cited 395 Open Access
  Notes 246791 Countatoms; 312483 Esteem2; esteem2_ta Approved Most recent IF: 39.737; 2015 IF: 36.503
  Call Number c:irua:132555 c:irua:132555 Serial 2528
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Author De Bie, C.; van Dijk, J.; Bogaerts, A.
  Title The Dominant Pathways for the Conversion of Methane into Oxygenates and Syngas in an Atmospheric Pressure Dielectric Barrier Discharge Type A1 Journal article
  Year 2015 Publication The journal of physical chemistry: C : nanomaterials and interfaces Abbreviated Journal J Phys Chem C
  Volume 119 Issue 119 Pages 22331-22350
  Keywords A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract A one-dimensional fluid model for a dielectric barrier discharge in CH4/O2 and CH4/CO2 gas mixtures is developed. The model describes the gas-phase chemistry for partial oxidation and for dry reforming of methane. The spatially averaged densities of the various plasma species are presented as a function of time and initial gas mixing ratio. Besides, the conversion of the inlet gases and the selectivities of the reaction products are calculated. Syngas, higher hydrocarbons, and higher oxygenates are typically found to be important reaction products. Furthermore, the main underlying reaction pathways for the formation of syngas, methanol, formaldehyde, and other higher oxygenates are determined.
  Address (down)
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000362385700010 Publication Date 2015-09-10
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1932-7447;1932-7455; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 4.536 Times cited 46 Open Access
  Notes This work was carried out using the Turing HPC infrastructure at the CalcUA core facility of the Universiteit Antwerpen, a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government (department EWI), and the Universiteit Antwerpen. The authors also acknowledge financial support from the IAP/7 (Interuniversity Attraction Pole) program “PSI-Physical Chemistry of Plasma- Surface Interactions” by the Belgian Federal Office for Science Policy (BELSPO) and from the Fund for Scientific Research Flanders (FWO). Approved Most recent IF: 4.536; 2015 IF: 4.772
  Call Number c:irua:128774 Serial 3960
Permanent link to this record
 

 
Author De Schouwer, F.; Claes, L.; Claes, N.; Bals, S.; Degrève, J.; De Vos, D.E.
  Title Pd-catalyzed decarboxylation of glutamic acid and pyroglutamic acid to bio-based 2-pyrrolidone Type A1 Journal article
  Year 2015 Publication Green chemistry : cutting-edge research for a greener sustainable future Abbreviated Journal Green Chem
  Volume 17 Issue 17 Pages 2263-2270
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract In order to recycle nitrogen from nitrogen-rich waste streams, particularly protein waste, we studied the decarboxylation of pyroglutamic acid and glutamic acid in a one-pot reaction to bio-based 2-pyrrolidone. After the screening of a wide range of supported Pd and Pt catalysts, 5 wt% Pd/Al2O3 displayed the highest yield (70%) and selectivity (81%) for the decarboxylation of pyroglutamic acid in water at 250 °C and under an inert atmosphere. Side products originate from consecutive reactions of 2-pyrrolidone; different reaction pathways are proposed to explain the presence of degradation products like propionic acid, γ-hydroxybutyric acid, γ-butyrolactone and methylamine. An extensive study of the reaction parameters was performed to check their influence on selectivity and conversion. This heterogeneous catalytic system was successfully extended to the conversion of glutamic acid.
  Address (down)
  Corporate Author Thesis
  Publisher Place of Publication London Editor
  Language Wos 000352724200027 Publication Date 2015-02-17
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1463-9262;1463-9270; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 9.125 Times cited 47 Open Access OpenAccess
  Notes 335078 Colouratom; ECAS_Sara; (ROMEO:yellow; preprint:; postprint:restricted ; pdfversion:cannot); Approved Most recent IF: 9.125; 2015 IF: 8.020
  Call Number c:irua:125378 Serial 2564
Permanent link to this record
 

 
Author Egoavil, R.; Huehn, S.; Jungbauer, M.; Gauquelin, N.; Béché, A.; Van Tendeloo, G.; Verbeeck; Moshnyaga, V.
  Title Phase problem in the B-site ordering of La2CoMnO6 : impact on structure and magnetism Type A1 Journal article
  Year 2015 Publication Nanoscale Abbreviated Journal Nanoscale
  Volume 7 Issue 7 Pages 9835-9843
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
  Abstract Epitaxial double perovskite La2CoMnO6 (LCMO) films were grown by metalorganic aerosol deposition on SrTiO3(111) substrates. A high Curie temperature, T-C = 226 K, and large magnetization close to saturation, M-S(5 K) = 5.8 mu(B)/f.u., indicate a 97% degree of B-site (Co,Mn) ordering within the film. The Co/Mn ordering was directly imaged at the atomic scale by scanning transmission electron microscopy with energy-dispersive X-ray spectroscopy (STEM-EDX). Local electron-energy-loss spectroscopy (EELS) measurements reveal that the B-sites are predominantly occupied by Co2+ and Mn4+ ions in quantitative agreement with magnetic data. Relatively small values of the (1/2 1/2 1/2) superstructure peak intensity, obtained by X-ray diffraction (XRD), point out the existence of ordered domains with an arbitrary phase relationship across the domain boundary. The size of these domains is estimated to be in the range 35-170 nm according to TEM observations and modelling the magnetization data. These observations provide important information towards the complexity of the cation ordering phenomenon and its implications on magnetism in double perovskites, and similar materials.
  Address (down)
  Corporate Author Thesis
  Publisher Place of Publication Cambridge Editor
  Language Wos 000354983100060 Publication Date 2015-05-05
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2040-3364;2040-3372; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 7.367 Times cited 37 Open Access
  Notes 312483 ESTEEM2; FWO G004413N; 246102 IFOX; Hercules; esteem2_jra3 Approved Most recent IF: 7.367; 2015 IF: 7.394
  Call Number c:irua:126423 c:irua:126423 Serial 2586
Permanent link to this record
 

 
Author Wee, L.H.; Meledina, M.; Turner, S.; Custers, K.; Kerkhofs, S.; Van Tendeloo, G.; Martens, J.A.
  Title Hematite iron oxide nanorod patterning inside COK-12 mesochannels as an efficient visible light photocatalyst Type A1 Journal article
  Year 2015 Publication Journal of materials chemistry A : materials for energy and sustainability Abbreviated Journal J Mater Chem A
  Volume 3 Issue 3 Pages 19884-19891
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
  Abstract The uniform dispersion of functional oxide nanoparticles on the walls of ordered mesoporous silica to tailor optical, electronic, and magnetic properties for biomedical and environmental applications is a scientific challenge. Here, we demonstrate homogeneous confined growth of 5 nanometer-sized hematite iron oxide (α-Fe2O3) inside mesochannels of ordered mesoporous COK-12 nanoplates. The three-dimensional inclusion of the α-Fe2O3 nanorods in COK-12 particles is studied using high-angle annular dark field scanning transmission electron microscopy (HAADF-STEM), energy-dispersive X-ray (EDX) spectroscopy and electron tomography. High resolution imaging and EDX spectroscopy provide information about the particle size, shape and crystal phase of the loaded α-Fe2O3 material, while electron tomography provides detailed information on the spreading of the nanorods throughout the COK-12 host. This nanocomposite material, having a semiconductor band gap energy of 2.40 eV according to diffuse reflectance spectroscopy, demonstrates an improved visible light photocatalytic degradation activity with rhodamine 6G and 1-adamantanol model compounds.
  Address (down)
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000362041300033 Publication Date 2015-08-26
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2050-7488;2050-7496; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 8.867 Times cited 9 Open Access
  Notes L.H.W. and S.T. thank the FWO-Vlaanderen for a postdoctoral research fellowship (12M1415N) and under contract number G004613N . J.A.M gratefully acknowledge financial supports from Flemish Government (Long-term structural funding-Methusalem). Collaboration among universities was supported by the Belgian Government (IAP-PAI network). Approved Most recent IF: 8.867; 2015 IF: 7.443
  Call Number c:irua:132567 Serial 3959
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Author Rehor, I.; Lee, K.L.; Chen, K.; Hajek, M.; Havlik, J.; Lokajova, J.; Masat, M.; Slegerova, J.; Shukla, S.; Heidari, H.; Bals, S.; Steinmetz, N.F.; Cigler, P.
  Title Plasmonic nanodiamonds : targeted coreshell type nanoparticles for cancer cell thermoablation Type A1 Journal article
  Year 2015 Publication Advanced healthcare materials Abbreviated Journal Adv Healthc Mater
  Volume 4 Issue 4 Pages 460-468
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract Targeted biocompatible nanostructures with controlled plasmonic and morphological parameters are promising materials for cancer treatment based on selective thermal ablation of cells. Here, coreshell plasmonic nanodiamonds consisting of a silica-encapsulated diamond nanocrystal coated in a gold shell are designed and synthesized. The architecture of particles is analyzed and confirmed in detail using electron tomography. The particles are biocompatibilized using a PEG polymer terminated with bioorthogonally reactive alkyne groups. Azide-modified transferrin is attached to these particles, and their high colloidal stability and successful targeting to cancer cells overexpressing the transferrin receptor are demonstrated. The particles are nontoxic to the cells and they are readily internalized upon binding to the transferrin receptor. The high plasmonic cross section of the particles in the near-infrared region is utilized to quantitatively ablate the cancer cells with a short, one-minute irradiation by a pulse 750-nm laser.
  Address (down)
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000349961600014 Publication Date 2015-02-18
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2192-2640; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 5.11 Times cited 30 Open Access OpenAccess
  Notes 335078 Colouratom; ECAS_Sara; (ROMEO:yellow; preprint:; postprint:restricted ; pdfversion:cannot); Approved Most recent IF: 5.11; 2015 IF: 5.797
  Call Number c:irua:125375 Serial 2647
Permanent link to this record
 

 
Author Van Eyndhoven, G.; Kurttepeli, M.; van Oers, C.J.; Cool, P.; Bals, S.; Batenburg, K.J.; Sijbers, J.
  Title Pore REconstruction and Segmentation (PORES) method for improved porosity quantification of nanoporous materials Type A1 Journal article
  Year 2015 Publication Ultramicroscopy Abbreviated Journal Ultramicroscopy
  Volume 148 Issue 148 Pages 10-19
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Vision lab; Laboratory of adsorption and catalysis (LADCA)
  Abstract Electron tomography is currently a versatile tool to investigate the connection between the structure and properties of nanomaterials. However, a quantitative interpretation of electron tomography results is still far from straightforward. Especially accurate quantification of pore-space is hampered by artifacts introduced in all steps of the processing chain, i.e., acquisition, reconstruction, segmentation and quantification. Furthermore, most common approaches require subjective manual user input. In this paper, the PORES algorithm POre REconstruction and Segmentation is introduced; it is a tailor-made, integral approach, for the reconstruction, segmentation, and quantification of porous nanomaterials. The PORES processing chain starts by calculating a reconstruction with a nanoporous-specific reconstruction algorithm: the Simultaneous Update of Pore Pixels by iterative REconstruction and Simple Segmentation algorithm (SUPPRESS). It classifies the interior region to the pores during reconstruction, while reconstructing the remaining region by reducing the error with respect to the acquired electron microscopy data. The SUPPRESS reconstruction can be directly plugged into the remaining processing chain of the PORES algorithm, resulting in accurate individual pore quantification and full sample pore statistics. The proposed approach was extensively validated on both simulated and experimental data, indicating its ability to generate accurate statistics of nanoporous materials.
  Address (down)
  Corporate Author Thesis
  Publisher Place of Publication Amsterdam Editor
  Language Wos 000345973000002 Publication Date 2014-08-23
  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 7 Open Access OpenAccess
  Notes Colouratom; ECAS_Sara; (ROMEO:green; preprint:; postprint:can ; pdfversion:cannot); Approved Most recent IF: 2.843; 2015 IF: 2.436
  Call Number c:irua:119083 Serial 2672
Permanent link to this record
 

 
Author Deng, S.; Kurttepeli, M.; Cott, D.J.; Bals, S.; Detavernier, C.
  Title Porous nanostructured metal oxides synthesized through atomic layer deposition on a carbonaceous template followed by calcination Type A1 Journal article
  Year 2015 Publication Journal of materials chemistry A : materials for energy and sustainability Abbreviated Journal J Mater Chem A
  Volume 3 Issue 3 Pages 2642-2649
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
  Abstract Porous metal oxides with nano-sized features attracted intensive interest in recent decades due to their high surface area which is essential for many applications, e.g. Li ion batteries, photocatalysts, fuel cells and dye-sensitized solar cells. Various approaches have so far been investigated to synthesize porous nanostructured metal oxides, including self-assembly and template-assisted synthesis. For the latter approach, forests of carbon nanotubes are considered as particularly promising templates, with respect to their one-dimensional nature and the resulting high surface area. In this work, we systematically investigate the formation of porous metal oxides (Al2O3, TiO2, V2O5 and ZnO) with different morphologies using atomic layer deposition on multi-walled carbon nanotubes followed by post-deposition calcination. X-ray diffraction, scanning electron microscopy accompanied by X-ray energy dispersive spectroscopy and transmission electron microscopy were used for the investigation of morphological and structural transitions at the micro- and nano-scale during the calcination process. The crystallization temperature and the surface coverage of the metal oxides and the oxidation temperature of the carbon nanotubes were found to produce significant influence on the final morphology.
  Address (down)
  Corporate Author Thesis
  Publisher Place of Publication Cambridge Editor
  Language Wos 000348990500019 Publication Date 2014-12-06
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2050-7488;2050-7496; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 8.867 Times cited 23 Open Access OpenAccess
  Notes Fwo; 239865 Cocoon; 335078 Colouratoms; ECAS_Sara; (ROMEO:yellow; preprint:; postprint:restricted ; pdfversion:cannot); Approved Most recent IF: 8.867; 2015 IF: 7.443
  Call Number c:irua:125298 Serial 2673
Permanent link to this record
 

 
Author Guzzinati, G.; Clark, L.; Béché, A.; Juchtmans, R.; Van Boxem, R.; Mazilu, M.; Verbeeck, J.
  Title Prospects for versatile phase manipulation in the TEM : beyond aberration correction Type A1 Journal article
  Year 2015 Publication Ultramicroscopy Abbreviated Journal Ultramicroscopy
  Volume 151 Issue 151 Pages 85-93
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract In this paper we explore the desirability of a transmission electron microscope in which the phase of the electron wave can be freely controlled. We discuss different existing methods to manipulate the phase of the electron wave and their limitations. We show how with the help of current techniques the electron wave can already be crafted into specific classes of waves each having their own peculiar properties. Assuming a versatile phase modulation device is feasible, we explore possible benefits and methods that could come into existence borrowing from light optics where the so-called spatial light modulators provide programmable phase plates for quite some time now. We demonstrate that a fully controllable phase plate building on Harald Rose׳s legacy in aberration correction and electron optics in general would open an exciting field of research and applications.
  Address (down)
  Corporate Author Thesis
  Publisher Place of Publication Amsterdam Editor
  Language Wos 000351237800012 Publication Date 2014-10-22
  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 19 Open Access
  Notes 278510 Vortex; Fwo; 312483 Esteem2; esteem2jra2; esteem2jra3 ECASJO_; Approved Most recent IF: 2.843; 2015 IF: 2.436
  Call Number c:irua:121405 c:irua:121405UA @ admin @ c:irua:121405 Serial 2731
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Author Martinez, G.T.; Jones, L.; de Backer, A.; Béché, A.; Verbeeck, J.; Van Aert, S.; Nellist, P.D.
  Title Quantitative STEM normalisation : the importance of the electron flux Type A1 Journal article
  Year 2015 Publication Ultramicroscopy Abbreviated Journal Ultramicroscopy
  Volume 159 Issue 159 Pages 46-58
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract Annular dark-field (ADF) scanning transmission electron microscopy (STEM) has become widely used in quantitative studies based on the opportunity to directly compare experimental and simulated images. This comparison merely requires the experimental data to be normalised and expressed in units of fractional beam-current. However, inhomogeneities in the response of electron detectors can complicate this normalisation. The quantification procedure becomes both experiment and instrument specific, requiring new simulations for the particular response of each instrument's detector, and for every camera-length used. This not only impedes the comparison between different instruments and research groups, but can also be computationally very time consuming. Furthermore, not all image simulation methods allow for the inclusion of an inhomogeneous detector response. In this work, we propose an alternative method for normalising experimental data in order to compare these with simulations that consider a homogeneous detector response. To achieve this, we determine the electron flux distribution reaching the detector by means of a camera-length series or a so-called atomic column cross-section averaged convergent beam electron diffraction (XSACBED) pattern. The result is then used to determine the relative weighting of the detector response. Here we show that the results obtained by this new electron flux weighted (EFW) method are comparable to the currently used method, while considerably simplifying the needed simulation libraries. The proposed method also allows one to obtain a metric that describes the quality of the detector response in comparison with the ideal detector response.
  Address (down)
  Corporate Author Thesis
  Publisher Place of Publication Amsterdam Editor
  Language Wos 000366220000006 Publication Date 2015-08-01
  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 27 Open Access
  Notes 246791 Countatoms; 278510 Vortex; 312483 Esteem2; Fwo G036815; G036915; G037413; G004413; esteem2ta ECASJO; Approved Most recent IF: 2.843; 2015 IF: 2.436
  Call Number c:irua:127293 c:irua:127293UA @ admin @ c:irua:127293 Serial 2762
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