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Author Berthold, T.; Castro, C.R.; Winter, M.; Hoerpel, G.; Kurttepeli, M.; Bals, S.; Antonietti, M.; Fechler, N.
Title Tunable nitrogen-doped carbon nanoparticles from tannic acid and urea and their potential for sustainable soots Type A1 Journal article
Year (down) 2017 Publication ChemNanoMat : chemistry of nanomaterials for energy, biology and more Abbreviated Journal Chemnanomat
Volume 3 Issue 3 Pages 311-318
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract Nano-sized nitrogen-doped carbon spheres are synthesized from two cheap, readily available and sustainable precursors: tannic acid and urea. In combination with a polymer structuring agent, nitrogen content, sphere size and the surface (up to 400 m(2)g(-1)) can be conveniently tuned by the precursor ratio, temperature and structuring agent content. Because the chosen precursors allow simple oven synthesis and avoid harsh conditions, this carbon nanosphere platform offers a more sustainable alternative to classical soots, for example, as printing pigments or conduction soots. The carbon spheres are demonstrated to be a promising as conductive carbon additive in anode materials for lithium ion batteries.
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Publisher Place of Publication Editor
Language Wos 000403299200006 Publication Date 2017-03-10
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2199-692x ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.937 Times cited 14 Open Access OpenAccess
Notes ; S.B. is grateful for funding by the European Research Council (ERC starting grant # 335078-COLOURATOMS). ; ecas_Sara Approved Most recent IF: 2.937
Call Number UA @ lucian @ c:irua:144287UA @ admin @ c:irua:144287 Serial 4699
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Author Zhang, F.; Chevalier, J.; Olagnon, C.; Batuk, M.; Hadermann, J.; Van Meerbeek, B.; Vleugels, J.
Title Grain-boundary engineering for aging and slow-crack-growth resistant zirconia Type A1 Journal article
Year (down) 2017 Publication Journal of dental research Abbreviated Journal J Dent Res
Volume 96 Issue 7 Pages 774-779
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Ceramic materials are prone to slow crack growth, resulting in strength degradation over time. Although yttria-stabilized zirconia (Y-TZP) ceramics have higher crack resistance than other dental ceramics, their aging susceptibility threatens their long-term performance in aqueous environments such as the oral cavity. Unfortunately, increasing the aging resistance of Y-TZP ceramics normally reduces their crack resistance. Our recently conducted systematic study of doping 3Y-TZP with various trivalent cations revealed that lanthanum oxide (La2O3) and aluminum oxide (Al2O3) have the most potent effect to retard the aging kinetics of 3Y-TZP. In this study, the crack-propagation behavior of La2O3 and Al2O3 co-doped 3Y-TZP ceramics was investigated by double-torsion methods. The grain boundaries were examined using scanning transmission electron microscopy and energy-dispersive spectroscopy (STEM-EDS). Correlating these analytic data with hydrothermal aging studies using different doping systems, a strategy to strongly bind the segregated dopant cations with the oxygen vacancies at the zirconia-grain boundary was found to improve effectively the aging resistance of Y-TZP ceramics without affecting the resistance to crack propagation.
Address
Corporate Author Thesis
Publisher Place of Publication St. Louis, Mo. Editor
Language Wos 000403934500010 Publication Date 2017-03-10
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0022-0345 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.755 Times cited 3 Open Access Not_Open_Access
Notes ; This research was supported by the Research Fund of KU Leuven under project 0T/ 10/052 and the Research Foundation-Flanders (FWO-Vlaanderen) under grant G.0431.10N. We thank J.W. Seo for TEM and sample preparations. F. Zhang thanks the Research Fund of KU Leuven for her postdoctoral fellowship (PDM/15/153) and the JECS-Trust for the travel grant (No. 201599) to perform double-torsion testing in the MATEIS lab of INSA, Lyon, France. Jerome Chevalier would like to dedicate this paper to Maria Cattani Lorente, who recently passed away under tragic conditions. She was deeply involved in the study of dental zirconia and we will miss her. The authors declare no potential conflicts of interest with respect to the authorship and/or publication of this article. ; Approved Most recent IF: 4.755
Call Number UA @ lucian @ c:irua:144161 Serial 4660
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Author Kurttepeli, M.; Deng, S.; Mattelaer, F.; Cott, D.J.; Vereecken, P.; Dendooven, J.; Detavernier, C.; Bals, S.
Title Heterogeneous TiO2/V2O5/Carbon Nanotube Electrodes for Lithium-Ion Batteries Type A1 Journal article
Year (down) 2017 Publication ACS applied materials and interfaces Abbreviated Journal Acs Appl Mater Inter
Volume 9 Issue 9 Pages 8055-8064
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract Vanadium pentoxide (V2O5) is proposed and investigated as a cathode material for lithium-ion (Li-ion) batteries. However, the dissolution of V2O5 during the charge/discharge remains as an issue at the V2O5–electrolyte interface. In this work, we present a heterogeneous nanostructure with carbon nanotubes supported V2O5/titanium dioxide (TiO2) multilayers as electrodes for thin-film Li-ion batteries. Atomic layer deposition of V2O5 on carbon nanotubes provides enhanced Li storage capacity and high rate performance. An additional TiO2 layer leads to increased morphological stability and in return higher electrochemical cycling performance of V2O5/carbon nanotubes. The physical and chemical properties of TiO2/V2O5/carbon nanotubes are characterized by cyclic voltammetry and charge/discharge measurements as well as electron microscopy. The detailed mechanism of the protective TiO2 layer to improve the electrochemical cycling stability of the V2O5 is unveiled.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000396186000021 Publication Date 2017-03-08
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1944-8244 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 7.504 Times cited 28 Open Access OpenAccess
Notes European Research Council, 239865 335078 ; Fonds Wetenschappelijk Onderzoek; Agentschap voor Innovatie door Wetenschap en Technologie, 18142 ; Bijzonder Onderzoeksfonds, GOA – 01G01513 ; This research was funded by the Flemish research foundation FWO-Vlaanderen, by the European Research Council (Starting Grant No. 239865 and No. 335078), by IWT-Flanders (SBO project IWT 18142 “SoS-Lion”) and by the Special Research Fund BOF of Ghent University (GOA – 01G01513); colouratoms (ROMEO:white; preprint:; postprint:restricted 12 months embargo; pdfversion:cannot); ECAS_Sara Approved Most recent IF: 7.504
Call Number EMAT @ emat @ c:irua:142446UA @ admin @ c:irua:142446 Serial 4572
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Author Kim, E.; Horckmans, L.; Spooren, J.; Vrancken, K.C.; Quaghebeur, M.; Broos, K.
Title Selective leaching of Pb, Cu, Ni and Zn from secondary lead smelting residues Type A1 Journal article
Year (down) 2017 Publication Hydrometallurgy Abbreviated Journal
Volume 169 Issue Pages 372-381
Keywords A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
Abstract Several HNO3-based leaching approaches were tested and optimized to selectively recover Pb and other minor metals (Cu, Ni, Zn) from secondary lead smelter residues (i.e., slag and matte). Firstly, the leaching behaviors of Pb and the matrix element Fe were studied at atmospheric pressure in the temperature range 25-70 degrees C. These elements were present in both materials studied as sulfide and oxide phases. For the sulfur-rich matte residue, the Pb leaching increased from 63% to 69% upon increasing the HNO3 concentration from 0.2 M to 0.5 M. However, by adding Fe(III) as an oxidation agent, Pb leaching from the matte amounted to 90% at 25 degrees C. At a higher temperature, Pb leaching was reduced due to PbSO4 precipitation. In this process, Cu, Zn and Ni leaching was insignificant. For the slag residue, HNO3 could not leach Pb (0.03% Pb leached), while Fe leaching was 19.8% due to a galvanic effect. However, Pb leaching of the slag was 82% in the presence of additional Fe(III). Secondly, to enhance leaching of the other base metals (Cu, Zn and Ni) from the matte, roasting followed by water leaching and (microwave assisted or autoclave) pressurized leaching in 0.5 M HNO3 were applied. During roasting, the FeS phase converted to Fe2O3 above 500 degrees C, and PbS and Pb phases were transformed into insoluble PbSO4 above 400 degrees C. Cu, Ni and Zn leaching was drastically enhanced by a roasting step at 600 degrees C followed by leaching with 0.5 M HNO3 at 50 degrees C, or by pressurized HNO3 leaching above 130 degrees C, whereby Pb leaching almost ceased due to PbSO4 precipitation. During the roasting above 600 degrees C, or microwave assisted extraction (MAE) at 160 degrees C for 15 min, FeS was completely converted to iron oxides that can be used as raw material for pig iron production. Based on the results, the methods investigated can be combined as process steps of two possible routes for the selective recovery of valuable metals and the production of a clean source of Fe oxides from the secondary lead smelting residues studied. (C) 2017 Elsevier B.V. All rights reserved.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000401878200045 Publication Date 2017-03-02
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0304-386x ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited Open Access
Notes Approved no
Call Number UA @ admin @ c:irua:144299 Serial 8503
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Author Tarasov, A.; Hu, Z.-Y.; Meledina, M.; Trusov, G.; Goodilin, E.; Van Tendeloo, G.; Dobrovolsky, Y.
Title One-Step Microheterogeneous Formation of Rutile@Anatase Core–Shell Nanostructured Microspheres Discovered by Precise Phase Mapping Type A1 Journal article
Year (down) 2017 Publication The journal of physical chemistry: C : nanomaterials and interfaces Abbreviated Journal J Phys Chem C
Volume 121 Issue 121 Pages 4443-4450
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract Nanostructured core−shell microspheres with a rough rutile core and a thin anatase shell are synthesized via a one-step heterogeneous templated hydrolysis process of TiCl4 vapor on the aerosol water−air interface. The rutile-in-anatase core−shell structure has been evidenced by different electron microscopy techniques, including electron energy-loss spectroscopy and 3D electron tomography. A new mechanism for the formation of a crystalline rutile core inside the anatase shell is proposed based on a statistical evaluation of a large number of electron microscopy data. We found that the control over the TiCl4 vapor pressure, the ratio between TiCl4 and H2O aerosol, and the reaction conditions plays a crucial role in the formation of the core−shell morphology and increases the yield of nanostructured microspheres.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000395616200038 Publication Date 2017-03-02
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1932-7447 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.536 Times cited 4 Open Access OpenAccess
Notes Z.-Y.H., M. M., and G.V.T. acknowledge support from the the EC Framework 7 program ESTEEM2 (Reference 312483). Approved Most recent IF: 4.536
Call Number EMAT @ emat @ c:irua:141720 Serial 4472
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Author Zhang, L.; Batuk, D.; Chen, G.; Tarascon, J.-M.
Title Electrochemically activated MnO as a cathode material for sodium-ion batteries Type A1 Journal article
Year (down) 2017 Publication Electrochemistry communications Abbreviated Journal Electrochem Commun
Volume 77 Issue Pages 81-84
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Besides classical electrode materials pertaining to Li-ion batteries, recent interest has been devoted to pairs of active redox composites having a redox center and an intercalant source. Taking advantage of the NaPFG salt decomposition above 4.2 V. we extrapolate this concept to the electrochemical in situ preparation of F-based MnO composite electrodes for Na-ion batteries. Such electrodes exhibit a reversible discharge capacity of 145 mAh g(-1) at room temperature. The amorphization of pristine MnO electrode after activation is attributed to the electrochemical grinding effect caused by substantial atomic migration and lattice strain build-up upon cycling. (C) 2017 Elsevier B.V. All rights reserved.
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Corporate Author Thesis
Publisher Place of Publication Amsterdam Editor
Language Wos 000399510400019 Publication Date 2017-02-28
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1388-2481 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.396 Times cited 8 Open Access OpenAccess
Notes ; This work was partially supported by the Hong Kong Research Grants Council under the General Research Fund Project #611213. L.Z. thanks the HKUST for his Postgraduate Studentship. ; Approved Most recent IF: 4.396
Call Number UA @ lucian @ c:irua:143648 Serial 4650
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Author Cao, M.; Xiong, D.-B.; Tan, Z.; Ji, G.; Amin-Ahmadi, B.; Guo, Q.; Fan, G.; Guo, C.; Li, Z.; Zhang, D.
Title Aligning graphene in bulk copper : nacre-inspired nanolaminated architecture coupled with in-situ processing for enhanced mechanical properties and high electrical conductivity Type A1 Journal article
Year (down) 2017 Publication Carbon Abbreviated Journal
Volume 117 Issue Pages 65-74
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Methods used to strengthen metals generally also cause a pronounced decrease in ductility and electrical conductivity. In this work a bioinspired strategy is applied to surmount the dilemma. By assembling copper submicron flakes cladded with in-situ grown graphene, graphene/copper matrix composites with a nanolaminated architecture inspired by a natural nacre have been prepared. Owing to a combined effect-from the bioinspired nanolaminated architecture and improved interfacial bonding, a synergy has been achieved between mechanical strength and ductility as well as electrical conductivity in the graphene/copper matrix composites. With a low volume fraction of only 2.5% of graphene, the composite shows a yield strength and elastic modulus similar to 177% and similar to 25% higher than that of unreinforced copper matrix, respectively, while retains ductility and electrical conductivity comparable to that of pure copper. The bioinspired nanolaminated architecture enhances the efficiencies of two-dimensional (2D) graphene in mechanical strengthening and electrical conducting by aligning graphene to maximize performance for required loading and carrier transporting conditions, and toughens the composites by crack deflection. Meanwhile, in-situ growth of graphene is beneficial for improving interfacial bonding and structural quality of graphene. The strategy sheds light on the development of composites with good combined structural and functional properties. (C) 2017 Elsevier Ltd. All rights reserved.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000400212100008 Publication Date 2017-02-27
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0008-6223 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited Open Access
Notes Approved no
Call Number UA @ admin @ c:irua:152635 Serial 7435
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Author Pearce, P.E.; Perez, A.J.; Rousse, G.; Saubanère, M.; Batuk, D.; Foix, D.; McCalla, E.; Abakumov, A.M.; Van Tendeloo, G.; Doublet, M.-L.; Tarascon, J.-M.
Title Evidence for anionic redox activity in a tridimensional-ordered Li-rich positive electrode β-Li2IrO3 Type A1 Journal article
Year (down) 2017 Publication Nature materials Abbreviated Journal Nat Mater
Volume 16 Issue 5 Pages 580-586
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Lithium-ion battery cathode materials have relied on cationic redox reactions until the recent discovery of anionic redox activity in Li-rich layered compounds which enables capacities as high as 300 mAh g(-1). In the quest for new high-capacity electrodes with anionic redox, a still unanswered question was remaining regarding the importance of the structural dimensionality. The present manuscript provides an answer. We herein report on a beta-Li2IrO3 phase which, in spite of having the Ir arranged in a tridimensional (3D) framework instead of the typical two-dimensional (2D) layers seen in other Li-rich oxides, can reversibly exchange 2.5 e(-) per Ir, the highest value ever reported for any insertion reaction involving d-metals. We show that such a large activity results from joint reversible cationic (Mn+) and anionic (O-2)(n-) redox processes, the latter being visualized via complementary transmission electron microscopy and neutron diffraction experiments, and confirmed by density functional theory calculations. Moreover, beta-Li2IrO3 presents a good cycling behaviour while showing neither cationic migration nor shearing of atomic layers as seen in 2D-layered Li-rich materials. Remarkably, the anionic redox process occurs jointly with the oxidation of Ir4+ at potentials as low as 3.4 V versus Li+/Li-0, as equivalently observed in the layered alpha-Li2IrO3 polymorph. Theoretical calculations elucidate the electrochemical similarities and differences of the 3D versus 2D polymorphs in terms of structural, electronic and mechanical descriptors. Our findings free the structural dimensionality constraint and broaden the possibilities in designing high-energy-density electrodes for the next generation of Li-ion batteries.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000400004200018 Publication Date 2017-02-27
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1476-1122 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 39.737 Times cited Open Access Not_Open_Access
Notes The authors thank Q. Jacquet for fruitful discussions and V. Pomjakushin for his valuable help in neutron diffraction experiments. This work is based on experiments performed at the Swiss Spallation Neutron Source SINQ, Paul Scherrer Institute, Villigen, Switzerland. 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 greatly acknowledged. J.-M.T. acknowledges funding from the European Research Council (ERC) (FP/2014)/ERC Grant-Project 670116-ARPEMA. E.M. acknowledges financial support from the Fonds de Recherche du Quebec-Nature et Technologies. Approved Most recent IF: 39.737
Call Number EMAT @ emat @c:irua:147502 Serial 4773
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Author Martens, J.A.; Bogaerts, A.; De Kimpe, N.; Jacobs, P.A.; Marin, G.B.; Rabaey, K.; Saeys, M.; Verhelst, S.
Title The Chemical Route to a Carbon Dioxide Neutral World Type A1 Journal article
Year (down) 2017 Publication Chemsuschem Abbreviated Journal Chemsuschem
Volume 10 Issue 10 Pages 1039-1055
Keywords A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract Excessive CO2 emissions in the atmosphere from anthropogenic activity can be divided into point sources and diffuse sources. The capture of CO2 from flue gases of large industrial installations and its conversion into fuels and chemicals with fast catalytic processes seems technically possible. Some emerging technologies are already being demonstrated on an industrial scale. Others are still being tested on a laboratory or pilot scale. These emerging chemical technologies can be implemented in a time window ranging from 5 to 20 years. The massive amounts of energy needed for capturing processes and the conversion of CO2 should come from low-carbon energy sources, such as tidal, geothermal, and nuclear energy, but also, mainly, from the sun. Synthetic methane gas that can be formed from CO2 and hydrogen gas is an attractive renewable energy carrier with an existing distribution system. Methanol offers advantages as a liquid fuel and is also a building block for the chemical industry. CO2 emissions from diffuse sources is a difficult problem to solve, particularly for CO2 emissions from road, water, and air transport, but steady progress in the development of technology for capturing CO2 from air is being made. It is impossible to ban carbon from the entire energy

supply of mankind with the current technological knowledge, but a transition to a mixed carbon–hydrogen economy can reduce net CO2 emissions and ultimately lead to a CO2-neutral world.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000398182800002 Publication Date 2017-02-24
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1864-5631 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 7.226 Times cited 75 Open Access OpenAccess
Notes This paper is written by members of the Royal Flemish Academy of Belgium for Science and the Arts (KVAB) and external experts. KVAB is acknowledged for supporting the writing and publishing of this viewpoint. Valuable suggestions made by colleagues Jan Kretzschmar, Stan Ulens, and Luc Sterckx are highly appreciated. Special thanks go to Mr. Bert Seghers and Mrs. N. Boelens of KVAB for practical assistance. Mr. Tim Lacoere is acknowledged for graphic design and layout of the figures, and Steven Heylen and Elke Verheyen are acknowledged for data collection and editorial assistance. Approved Most recent IF: 7.226
Call Number PLASMANT @ plasmant @ c:irua:141916 Serial 4532
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Author Stafford, B.H.; Sieger, M.; Ottolinger, R.; Meledin, A.; Strickland, N.M.; Wimbush, S.C.; Van Tendeloo, G.; Huehne, R.; Schultz, L.
Title Tilted BaHfO3 nanorod artificial pinning centres in REBCO films on inclined substrate deposited-MgO coated conductor templates Type A1 Journal article
Year (down) 2017 Publication Superconductor science and technology Abbreviated Journal Supercond Sci Tech
Volume 30 Issue 5 Pages 055002
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract We grow BaHfO3 (BHO) nanorods in REBa2Cu3O7-x (REBCO, RE: Gd or Y) thin films on metal tapes coated with the inclined substrate deposited (ISD)-MgO template by both electron beam physical vapour deposition and pulsed laser deposition. In both cases the nanorods are inclined by an angle of 21 degrees-29 degrees with respect to the sample surface normal as a consequence of the tilted growth of the REBCO film resulting from the ISD-MgO layer. We present angular critical current density (J(c)) anisotropy as well as field- and temperature-dependant J(c) data of the BHO nanorod-containing GdBCO films demonstrating an increase in J(c) over a wide range of temperatures between 30 and 77 K and magnetic fields up to 8 T. In addition, we show that the angle of the peak in the J(c) anisotropy curve resulting from the nanorods is dependent both on temperature and magnetic field. The largest J(c) enhancement from the addition of the nanorods was found to occur at 30 K, 3 T, resulting in a J(c) of 3.0 MA cm(-2).
Address
Corporate Author Thesis
Publisher Place of Publication Bristol Editor
Language Wos 000398860300001 Publication Date 2017-02-22
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0953-2048 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.878 Times cited 6 Open Access Not_Open_Access
Notes ; The authors would like to thank Anh Tu Bohn and other colleagues at THEVA Dunnschichtechnik GmbH for technical assistance and helpful discussion and R Nast for assistance with sample patterning. We also acknowledge partial support from EUROTAPES, a collaborative project funded by the European Commission's Seventh Framework Program (FP7/2007-2013) under Grant Agreement n. 280432. ; Approved Most recent IF: 2.878
Call Number UA @ lucian @ c:irua:143641 Serial 4694
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Author Eijt, S.W.H.; Shi, W.; Mannheim, A.; Butterling, M.; Schut, H.; Egger, W.; Dickmann, M.; Hugenschmidt, C.; Shakeri, B.; Meulenberg, R.W.; Callewaert, V.; Saniz, R.; Partoens, B.; Barbiellini, B.; Bansil, A.; Melskens, J.; Zeman, M.; Smets, A.H.M.; Kulbak, M.; Hodes, G.; Cahen, D.; Brück, E.
Title New insights into the nanostructure of innovative thin film solar cells gained by positron annihilation spectroscopy Type A1 Journal article
Year (down) 2017 Publication Journal of physics : conference series Abbreviated Journal
Volume 791 Issue 791 Pages 012021
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Recent studies showed that positron annihilation methods can provide key insights into the nanostructure and electronic structure of thin film solar cells. In this study, positron annihilation lifetime spectroscopy (PALS) is applied to investigate CdSe quantum dot (QD) light absorbing layers, providing evidence of positron trapping at the surfaces of the QDs. This enables one to monitor their surface composition and electronic structure. Further, 2D-Angular Correlation of Annihilation Radiation (2D-ACAR) is used to investigate the nanostructure of divacancies in photovoltaic-high-quality a-Si:H films. The collected momentum distributions were converted by Fourier transformation to the direct space representation of the electron-positron autocorrelation function. The evolution of the size of the divacancies as a function of hydrogen dilution during deposition of a-Si:H thin films was examined. Finally, we present a first positron Doppler Broadening of Annihilation Radiation (DBAR) study of the emerging class of highly efficient thin film solar cells based on perovskites.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000400610500021 Publication Date 2017-02-22
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1742-6588 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited 1 Open Access
Notes The work at Delft University of Technology was supported by the China Scholarship Council (CSC) grant of W.S., by ADEM, A green Deal in Energy Materials of the Ministry of Economic Affairs of The Netherlands (www.adem- innovationlab.nl), and the STW Vidi grant of A.S., Grant No. 10782. The PALS study is based upon experiments performed at the PLEPS instrument of the NEPOMUC facility at the Heinz Maier-Leibnitz Zentrum (MLZ), Garching, Germany, and was supported by the European Commission under the 7 th Framework Programme, Key Action: Strengthening the European Research Area, Research Infrastructures, Contract No. 226507, NMI3. The work at University of Maine was supported by the National Science Foundation under Grant No. DMR-1206940. Research at the University of Antwerp was supported by FWO grants G022414N and G015013. The work at Northeastern University was supported by the US Department of Energy (DOE), Office of Science, Basic Energy Sciences grant number DE-FG02-07ER46352 (core research), and benefited from Northeastern University's Advanced Scientific Computation Center (ASCC), the NERSC supercomputing center through DOE grant number DE-AC02-05CH11231, and support (applications to layered materials) from the DOE EFRC: Center for the Computational Design of Functional Layered Materials (CCDM) under DE-SC0012575. The work at the Weizmann Institute was supported by the Sidney E. Frank Foundation through the Israel Science Foundation, by the Israel Ministry of Science, and the Israel National Nano-Initiative. D.C. holds the Sylvia and Rowland Schaefer Chair in Energy Research. Approved Most recent IF: NA
Call Number CMT @ cmt @ c:irua:140850 Serial 4426
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Author Batuk, D.; Batuk, M.; Morozov, V.A.; Meert, K.W.; Smet, P.F.; Poelman, D.; Abakumov, A.M.; Hadermann, J.
Title Effect of cation vacancies on the crystal structure and luminescent properties of Ca(0.85-1.5x)Gd(x)Eu(0.1)_(0.05+0.5x)WO(4) (0<x<0.567) scheelite-based red phosphors Type A1 Journal article
Year (down) 2017 Publication Journal of alloys and compounds Abbreviated Journal J Alloy Compd
Volume 706 Issue 706 Pages 358-369
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract The Ca0.85-1.5xGdxEu0.1_0.05-0.5xWO4 (0 < x < 0.567) series of cation-deficient scheelites is investigated to unveil the influence of the cation vacancies on the crystal structure and luminescent properties. The concentration of the vacancies is varied by the heterovalent substitution of Gd3+ for Ca2+, keeping the concentration of the Eu3+ luminescent centers constant in all compounds of the series. The crystal structure of the materials is studied using a combination of transmission electron microscopy and synchrotron X-ray powder diffraction. At low vacancy concentration (x = 0.1, 0.2), cations and cation vacancies are randomly distributed in the structure, and the materials preserve the I41/a symmetry of the parent scheelite structure [x = 0.1: a = 5.25151(1) Å, c = 11.39479(2) Å; x = 0.2: a = 5.25042(1) Å, c = 11.41335(2) Å]. At higher concentration, the cation-vacancy ordering gives rise to incommensurately modulated structures. The x = 0.3 structure has a (3 + 2)D tetragonal symmetry [superspace group I41/a(a,b,0)00(-b,a,0)00, a = 5.24700(1) Å, c = 11.45514(3) Å, q1 = 0.51637(14)a* + 0.80761(13)b*, q2 = -0.80761a* + 0.51637b*]. At x = 0.4, the scheelite basic cell undergoes a monoclinic distortion with the formation of the (3 + 1)D structure [superspace group I2/b(a,b,0)00, a = 5.23757(1) Å, b = 5.25035(1) Å, c = 11.45750(2) Å, g = 90.5120(2) o, q = 0.54206(8)a* + 0.79330(8)b*]. In both structures, the antiphase Ca and (Gd,Eu) occupancy modulations indicate that the ordering between the A cations and vacancies also induces partial Ca/(Gd,Eu) cation ordering. Further increase of the Gd3þ content up to x = 0.567 leads to the formation of a monoclinic phase (space group C2/c) with the Eu2/3WO4-type structure. Despite the difference in the cation-vacancy ordering patterns, all materials in the series demonstrate very similar quantum efficiency and luminescence decay lifetimes. However, the difference in the local coordination environment of the A cation species noticeably affects the line width and the multiplet splitting of the 4f6-4f6 transitions.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000397997300045 Publication Date 2017-02-16
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0925-8388 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.133 Times cited 2 Open Access OpenAccess
Notes This research was supported by FWO (Flanders Research Foundation, project G039211N). V.A.M. is grateful for financial support of the Russian Foundation for Basic Research (Grant 15-03-07741).We are grateful to the ESRF for granting the beamtime at the ID22 beamline and to Andy Fitch for the support during the experiment. Approved Most recent IF: 3.133
Call Number EMAT @ emat @ c:irua:142367 Serial 4581
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Author Satarifard, V.; Mousaei, M.; Hadadi, F.; Dix, J.; Sobrino Fernández, M.; Carbone, P.; Beheshtian, J.; Peeters, F.M.; Neek-Amal, M.
Title Reversible structural transition in nanoconfined ice Type A1 Journal article
Year (down) 2017 Publication Physical review B Abbreviated Journal Phys Rev B
Volume 95 Issue 95 Pages 064105
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract The report on square ice sandwiched between two graphene layers by Algara-Siller et al. [Nature (London) 519, 443 (2015)] has generated a large interest in this system. By applying high lateral pressure on nanoconfined water, we found that monolayer ice is transformed to bilayer ice when the two graphene layers are separated by H = 6,7 angstrom. It was also found that three layers of a denser phase of ice with smaller lattice constant are formed if we start from bilayer ice and apply a lateral pressure of about 0.7 GPa with H = 8,9 angstrom. The lattice constant (2.5-2.6 angstrom) in both transitions is found to be smaller than those typical for the known phases of ice and water, i.e., 2.8 angstrom. We validate these results using ab initio calculations and find good agreement between ab initio O-O distance and those obtained from classical molecular dynamics simulations. The reversibility of the mentioned transitions is confirmed by decompressing the systems.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000393943300005 Publication Date 2017-02-16
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2469-9950;2469-9969; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.836 Times cited 23 Open Access
Notes ; This work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem Foundation. ; Approved Most recent IF: 3.836
Call Number UA @ lucian @ c:irua:141994 Serial 4558
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Author Lizin, S.; Van Dael, M.; Van Passel, S.; Van Dael, M.
Title Battery pack recycling : behaviour change interventions derived from an integrative theory of planned behaviour study Type A1 Journal article
Year (down) 2017 Publication Resources Conservation And Recycling Abbreviated Journal Resour Conserv Recy
Volume 122 Issue Pages 66-82
Keywords A1 Journal article; Economics; Engineering Management (ENM)
Abstract Belgium has passed the 45% cap, mandated by the European Union, by achieving a collection rate of over 50% in 2012. Having such a collection rate, Belgium is amongst the frontrunners in battery recycling in Europe. However, despite the efforts, about 40% of used batteries are still not properly collected. Particularly troublesome according to the national producer responsibility organization are the battery packs. In this paper we therefore investigate the drivers and barriers to battery pack drop-off intention perceived by Belgian households using an integrative model based on the Theory of Planned Behaviour. An R2 of 0.64 was found, which according to the literature on partial least squares structural equation modelling signals a moderate yet very close to substantial coefficient of determination. We find that on average perceived behavioural control and moral norms have the largest influence on the intention to drop-off used battery packs as quickly as possible. Based on the insights gained, recommendations are made for both behaviour change interventions and future research.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000401881300007 Publication Date 2017-02-15
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0921-3449 ISBN Additional Links UA library record; WoS full record; WoS citing articles; WoS full record; WoS citing articles
Impact Factor 3.313 Times cited 21 Open Access
Notes ; The corresponding author wishes to thank the Research Foundation Flanders (FWO) for granting him a postdoctoral grant [grant number: 12G5415N]. Furthermore, the second author wishes to express her gratitude for funding her to the SUMMA policy platform. Furthermore, we wish to express our sincere gratitude to Peter Coonen and Nele Peeters of Bebat for their time and willingness to share information with us. ; Approved Most recent IF: 3.313
Call Number UA @ admin @ c:irua:140681 Serial 6159
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Author Abeysinghe, D.; Smith, M.D.; Yeon, J.; Tran, T.T.; Sena, R.P.; Hadermann, J.; Halasyamani, P.S.; zur Loye, H.-C.
Title Crystal growth and structure analysis of Ce-18-W-10-O-57 : a complex oxide containing tungsten in an unusual trigonal prismatic coordination environment Type A1 Journal article
Year (down) 2017 Publication Inorganic chemistry Abbreviated Journal Inorg Chem
Volume 56 Issue 5 Pages 2566-2575
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract The noncentrosymmetric tungstate oxide, Ce18W10O57) was synthesized for the first time as high-quality single crystals via the molten chloride flux method and structurally characterized by single-crystal X-ray diffraction. The compound is a structural analogue to the previously reported La18W10O57, which crystallizes in the hexagonal space group P (6) over bar 2c. The +3 oxidation state of cerium in Ce18W10O57 was achieved via the in situ reduction of Ce(IV) to Ce(III) using Zn metal. The structure consists of both isolated and face-shared WO6 octahedra and, surprisingly, isolated WO6 trigonal prisms. A careful analysis of the packing arrangement in the structure makes it possible to explain the unusual structural architecture of Ce18W10O57, which is described in detail. The temperature-dependent magnetic susceptibility of Ce18W10O57 indicates that the cerium(III) f(1) cations do not order magnetically and exhibit simple paramagnetic behavior. The SHG efficiency of Ln(18)W(10)O(57) (Ln = La, Ce) was measured as a function of particle size, and both compounds were found to be SHG active with efficiency approximately equal to that of alpha-SiO2.
Address
Corporate Author Thesis
Publisher Place of Publication Easton, Pa Editor
Language Wos 000395847300026 Publication Date 2017-02-15
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0020-1669 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.857 Times cited 9 Open Access Not_Open_Access
Notes ; Financial support for this work was provided by the National Science Foundation under DMR-1301757 and is gratefully acknowledged. T.T.T. and P.S.H. thank the Welch Foundation (Grant E-1457) and NSF-DMR-1503573. ; Approved Most recent IF: 4.857
Call Number UA @ lucian @ c:irua:142449 Serial 4643
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Author Kim, E.; Horckmans, L.; Spooren, J.; Broos, K.; Vrancken, K.C.M.; Quaghebeur, M.
Title Recycling of a secondary lead smelting matte by selective citrate leaching of valuable metals and simultaneous recovery of hematite as a secondary resource Type A1 Journal article
Year (down) 2017 Publication Hydrometallurgy Abbreviated Journal
Volume 169 Issue Pages 290-296
Keywords A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
Abstract Anew recycling process, according to the zero-waste concept, was investigated for an iron rich waste stream, more specifically a secondary lead smelting matte. The process consists of a selective citrate leaching of Pb, Cu, Ni and Zn in combination with a roasting step, leading to a simultaneous recovery of hematite as a secondary iron resource. The parameters, such as leaching time, leaching temperature, H2O2 concentration and roasting temperature, were experimentally optimized. The maximum Pb leaching efficiency was 93% and the leachability of Cu (33%) and Zn (11%) increased slightly in the presence of 0.5 M H2O2 in 1 M citrate at 25 degrees C and pH 5.5. Importantly, almost no Fe was leached (< 0.6%) from the iron rich matrix material at this condition allowing for a maximal recovery of hematite as a secondary resource after further treatment (i.e. roasting or sulfur removal). The leachability of Pb, Cu, Ni and Zn was strongly affected by the roasting temperature. Maximum leaching efficiency in 1 M citrate (25 degrees C, L/S ratio 10, pH 6.5) was 93% for Pb, 80% for Cu and 60% for Zn at a roasting temperature of 600 degrees C, while for Ni the maximum leaching efficiency of 53% was reached after roasting at 650 degrees C. Furthermore, when oxidative roasting was applied, the leaching residue consists dominantly of hematite (Fe2O3) with minor quantities of PbSO4, which can be used as pig iron ore (Fe > 60 wt%). (C) 2017 Elsevier B.V. All rights reserved.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000401878200035 Publication Date 2017-02-14
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0304-386x ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited Open Access
Notes Approved no
Call Number UA @ admin @ c:irua:144298 Serial 8463
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Author Jany, B.R.; Gauquelin, N.; Willhammar, T.; Nikiel, M.; van den Bos, K.H.W.; Janas, A.; Szajna, K.; Verbeeck, J.; Van Aert, S.; Van Tendeloo, G.; Krok, F.
Title Controlled growth of hexagonal gold nanostructures during thermally induced self-assembling on Ge(001) surface Type A1 Journal article
Year (down) 2017 Publication Scientific reports Abbreviated Journal Sci Rep-Uk
Volume 7 Issue 7 Pages 42420
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Nano-sized gold has become an important material in various fields of science and technology, where control over the size and crystallography is desired to tailor the functionality. Gold crystallizes in the face-centered cubic (fcc) phase, and its hexagonal closed packed (hcp) structure is a very unusual and rare phase. Stable Au hcp phase has been reported to form in nanoparticles at the tips of some Ge nanowires. It has also recently been synthesized in the form of thin graphene-supported sheets which are unstable under electron beam irradiation. Here, we show that stable hcp Au 3D nanostructures with well-defined crystallographic orientation and size can be systematically created in a process of thermally induced self-assembly of thin Au layer on Ge(001) monocrystal. The Au hcp crystallite is present in each Au nanostructure and has been characterized by different electron microscopy techniques. We report that a careful heat treatment above the eutectic melting temperature and a controlled cooling is required to form the hcp phase of Au on a Ge single crystal. This new method gives scientific prospects to obtain stable Au hcp phase for future applications in a rather simple manner as well as redefine the phase diagram of Gold with Germanium.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000393940700001 Publication Date 2017-02-14
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 25 Open Access OpenAccess
Notes The authors gratefully acknowledge the financial support from the Polish National Science Center, grant no. DEC-2012/07/B/ST5/00906. N.G., G.V.T. and J.V. acknowledge the European Union (EU) Council under the 7th Framework Program (FP7) ERC Starting Grant 278510 VORTEX for support. The Research Foundation Flanders is acknowledged through project fundings (G.0374.13N, G.0368.15N, G.0369.15N) and for a Ph.D. research grant to K.H.W.v.d.B. The microscope was partly funded by the Hercules Fund from the Flemish Government. T.W. acknowledges the Swedish Research Council for an international postdoc grant. The research leading to these results has received funding from the European Union Seventh Framework Programme under Grant Agreement 312483–ESTEEM2 (Integrated Infrastructure Initiative–I3). Part of the research was carried out with equipment purchased with financial support from the European Regional Development Fund in the framework of the Polish Innovation Economy Operational Program (Contract No. POIG.02.01.00-12-023/08). Approved Most recent IF: 4.259
Call Number EMAT @ emat @ c:irua:140846UA @ admin @ c:irua:140846 Serial 4423
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Author Lu, A.K.A.; Houssa, M.; Radu, I.P.; Pourtois, G.
Title Toward an understanding of the electric field-induced electrostatic doping in van der Waals heterostructures : a first-principles study Type A1 Journal article
Year (down) 2017 Publication ACS applied materials and interfaces Abbreviated Journal Acs Appl Mater Inter
Volume 9 Issue 8 Pages 7725-7734
Keywords A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract Since the discovery of graphene, a broad range of two-dimensional (2D) materials has captured the attention of the scientific communities. Materials, such as hexagonal boron nitride (hBN) and the transition metal dichalcogenides (TMDs) family, have shown promising semiconducting and insulating properties that are very appealing for the semiconductor industry. Recently, the possibility of taking advantage of the properties of 2D-based heterostructures has been investigated for low-power nanoelectronic applications. In this work, we aim at evaluating the relation between the nature of the materials used in such heterostructures and the amplitude of the layer-to-layer charge transfer induced by an external electric field, as is typically present in nanoelectronic gated devices. A broad range of combinations of TMDs, graphene, and hBN has been investigated using density functional theory. Our results show that the electric field induced charge transfer strongly depends on the nature of the 2D materials used in the van der Waals heterostructures and to a lesser extent on the relative orientation of the materials in the structure. Our findings contribute to the building of the fundamental understanding required to engineer electrostatically the doping of 2D materials and to establish the factors that drive the charge transfer mechanisms in electron tunneling-based devices. These are key ingredients for the development of 2D -based nanoelectronic devices.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000395494200119 Publication Date 2017-02-13
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1944-8244 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 7.504 Times cited 10 Open Access Not_Open_Access
Notes Approved Most recent IF: 7.504
Call Number UA @ lucian @ c:irua:142483 Serial 4696
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Author Van Dael, M.; Lizin, S.; Swinnen, G.; Van Passel, S.
Title Young people's acceptance of bioenergy and the influence of attitude strength on information provision Type A1 Journal article
Year (down) 2017 Publication Renewable Energy Abbreviated Journal Renew Energ
Volume 107 Issue Pages 417-430
Keywords A1 Journal article; Economics; Engineering sciences. Technology; Engineering Management (ENM)
Abstract This study investigated the effects of using a standardized PowerPoint lecture to provide young people with nuanced information about bioenergy. The studys aim was to understand the relationship between knowledge and participants perception of bioenergy, and the relationship of the latter to participants attitude strength and intention to use and learn about bioenergy. Data were collected from 715 participants using a survey instrument that contained mainly Likert-scale questions. Data were then processed using partial least squares structural equation modelling. Results show that providing such information increases knowledge about bioenergy, but does relatively little to create a more positive perception of bioenergy. In turn, having a more positive view about bioenergy would lead to a higher intention to use bioenergy. Attitude strength was found to mediate the previous relationship and decreases the strength of the relationship between perception and intention to use. Results also show that the lecture weakly contributed to building attitude strength, rendering opinion change less likely in the future. We conclude that listening to a lecture on bioenergy slightly improves peoples perception of bioenergy, makes it more likely that people maintain such a disposition, and translates into a slightly higher intention to use bioenergy.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000396946900036 Publication Date 2017-02-08
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0960-1481 ISBN Additional Links UA library record; WoS full record; WoS citing articles; WoS full record; WoS citing articles
Impact Factor 4.357 Times cited 10 Open Access
Notes ; This work was supported by the Research Foundation Flanders (FWO; grant number 12G5415N). The authors gratefully acknowledge Sara Leroi-Werelds (Hasselt University) for her valuable comments. ; Approved Most recent IF: 4.357
Call Number UA @ admin @ c:irua:140683 Serial 6280
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Author Verbruggen, S.W.; Van Hal, M.; Bosserez, T.; Rongé, J.; Hauchecorne, B.; Martens, J.A.; Lenaerts, S.
Title Harvesting hydrogen gas from air pollutants with an un-biased gas phase photo-electrochemical cell Type A1 Journal article
Year (down) 2017 Publication Chemsuschem Abbreviated Journal Chemsuschem
Volume 10 Issue 7 Pages 1413-1418
Keywords A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
Abstract The concept of an all-gas-phase photo-electrochemical cell (PEC) producing hydrogen gas from volatile organic contaminated gas and light is presented. Without applying any external bias, organic contaminants are degraded and hydrogen gas is produced in separate electrode compartments. The system works most efficiently with organic pollutants in inert carrier gas. In the presence of oxygen gas, the cell performs less efficiently but still significant photocurrents are generated, showing the cell can be run on organic contaminated air. The purpose of this study is to demonstrate new application opportunities of PEC technology and to encourage further advancement toward photo-electrochemical remediation of air pollution with the attractive feature of simultaneous energy recovery and pollution abatement.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000398838600017 Publication Date 2017-02-08
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1864-5631 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 7.226 Times cited 6 Open Access
Notes ; S.W.V. and J.R. acknowledge the Research Foundation-Flanders (FWO) for a postdoctoral fellowship. T.B. and J.A.M. acknowledge the Flemish government for long-term structural funding (Methusalem). Nicolaas Schewyck is greatly thanked for his experimental work during his master thesis. ; Approved Most recent IF: 7.226
Call Number UA @ admin @ c:irua:140922 Serial 5955
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Author Zografos, O.; Dutta, S.; Manfrini, M.; Vaysset, A.; Sorée, B.; Naeemi, A.; Raghavan, P.; Lauwereins, R.; Radu, I.P.
Title Non-volatile spin wave majority gate at the nanoscale Type A1 Journal article
Year (down) 2017 Publication AIP advances T2 – 61st Annual Conference on Magnetism and Magnetic Materials (MMM), OCT 31-NOV 04, 2016, New Orleans, LA Abbreviated Journal Aip Adv
Volume 7 Issue 5 Pages 056020
Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
Abstract A spin wave majority fork-like structure with feature size of 40 nm, is presented and investigated, through micromagnetic simulations. The structure consists of three merging out-of-plane magnetization spin wave buses and four magneto-electric cells serving as three inputs and an output. The information of the logic signals is encoded in the phase of the transmitted spin waves and subsequently stored as direction of magnetization of the magneto-electric cells upon detection. The minimum dimensions of the structure that produce an operational majority gate are identified. For all input combinations, the detection scheme employed manages to capture the majority phase result of the spin wave interference and ignore all reflection effects induced by the geometry of the structure. (C) 2017 Author(s). All article content, except where otherwise noted, is licensed under a Creative Commons Attribution (CC BY) license (http://creativecommons.org/licenses/by/4.0/).
Address
Corporate Author Thesis
Publisher Amer inst physics Place of Publication Melville Editor
Language Wos 000402797100177 Publication Date 2017-02-06
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2158-3226 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.568 Times cited 13 Open Access
Notes ; ; Approved Most recent IF: 1.568
Call Number UA @ lucian @ c:irua:144288 Serial 4673
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Author Alfeld, M.; Wahabzada, M.; Bauckhage, C.; Kersting, K.; van der Snickt, G.; Noble, P.; Janssens, K.; Wellenreuther, G.; Falkenberg, G.
Title Simplex Volume Maximization (SiVM): a matrix factorization algorithm with non-negative constrains and low computing demands for the interpretation of full spectral X-ray fluorescence imaging data Type A1 Journal article
Year (down) 2017 Publication Microchemical journal Abbreviated Journal Microchem J
Volume 132 Issue Pages 179-184
Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Abstract Technological progress allows for an ever-faster acquisition of hyperspectral data, challenging the users to keep up with interpreting the recorded data. Matrix factorization, the representation of data sets by bases (or loads) and coefficient (or score) images is long used to support the interpretation of complex data sets. We propose in this publication Simplex Volume Maximization (SiVM) for the analysis of X-ray fluorescence (XRF) imaging data sets. SiVM selects archetypical data points that represents the data set and thus provides easily understandable bases, preserves the non-negative character of XRF data sets and has low demands concerning computing resources. We apply SiVM on an XRF data set of Hans Memling's Portrait of a man from the Lespinette family from the collection of the Mauritshuis (The Hague, NL) and discuss capabilities and shortcomings of SiVM. (C) 2017 Elsevier B.V. All rights reserved.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000399845700026 Publication Date 2017-02-04
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0026-265x; 0026-265x ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.034 Times cited 8 Open Access
Notes ; The German Federal Ministry of Education and Research (BMBF) is acknowledged for the financial support (Verbundprojekt 05K2012 POISSON: Fortschrittliche Faktorenanalyse ffir Poisson-verteilte Daten). ; Approved Most recent IF: 3.034
Call Number UA @ admin @ c:irua:152647 Serial 5830
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Author 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 (down) 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 Lander, L.; Rousse, G.; Batuk, D.; Colin, C.V.; Dalla Corte, D.A.; Tarascon, J.-M.
Title Synthesis, structure, and electrochemical properties of k-based sulfates K2M2(SO4)3) with M = Fe and Cu Type A1 Journal article
Year (down) 2017 Publication Inorganic chemistry Abbreviated Journal Inorg Chem
Volume 56 Issue 4 Pages 2013-2021
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Stabilizing new host structures through potassium extraction from K-based polyanionic materials has been proven to be an interesting approach to develop new Li+/Na+ insertion materials. Pursuing the same trend, we here report the feasibility of preparing langbeinite “Fe-2(SO4)(3)” via electrochemical and chemical oxidation of K2Fe2(SO4)(3). Additionally, we succeeded in stabilizing a new K2Cu2(SO4)(3) phase via a solid-state synthesis approach. This novel compound crystallizes in a complex orthorhombic structure that differs from that of langbeinite as deduced from synchrotron X-ray and neutron powder diffraction. Electrochemically, the performance of this new phase is limited, which we explain in terms of sluggish diffusion kinetics. We further show that K2Cu2(SO4)(3) decomposes into K2Cu3O(SO4)(3) on heating, and we report for the first time the synthesis of fedotovite K2Cu3O(SO4)(3). Finally, the fundamental attractiveness of these S = 1/2 systems for physicists is examined by neutron magnetic diffraction, which reveals the absence of a long-range ordering of Cu2+ magnetic moments down to 1.5 K.
Address
Corporate Author Thesis
Publisher Place of Publication Easton, Pa Editor
Language Wos 000394736600027 Publication Date 2017-01-27
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0020-1669 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.857 Times cited 13 Open Access Not_Open_Access
Notes ; We thank Matthieu Courty for performing TGA/DSC measurements. Use of the 11-BM mail service of the APS at Argonne National Laboratory was supported by the U.S. Department of Energy under Contract DE-AC02-06CH11357 and is acknowledged. The French CRG D1B is acknowledged for allocating neutron beamtime. L.L. thanks the ANR “Hipolite” for the Ph.D. funding. ; Approved Most recent IF: 4.857
Call Number UA @ lucian @ c:irua:142531 Serial 4692
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Author Yusupov, M.; Van der Paal, J.; Neyts, E.C.; Bogaerts, A.
Title Synergistic effect of electric field and lipid oxidation on the permeability of cell membranes Type A1 Journal article
Year (down) 2017 Publication Biochimica et biophysica acta : G : general subjects Abbreviated Journal Bba-Gen Subjects
Volume 1861 Issue 1861 Pages 839-847
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract Background: Strong electric fields are knownto affect cell membrane permeability,which can be applied for therapeutic purposes, e.g., in cancer therapy. A synergistic enhancement of this effect may be accomplished by the presence of reactive oxygen species (ROS), as generated in cold atmospheric plasmas. Little is known about the synergy between lipid oxidation by ROS and the electric field, nor on howthis affects the cell membrane permeability.

Method: We here conduct molecular dynamics simulations to elucidate the dynamics of the permeation process under the influence of combined lipid oxidation and electroporation. A phospholipid bilayer (PLB), consisting of di-oleoyl-phosphatidylcholine molecules covered with water layers, is used as a model system for the plasma membrane.

Results and conclusions:Weshow howoxidation of the lipids in the PLB leads to an increase of the permeability of the bilayer to ROS, although the permeation free energy barriers still remain relatively high. More importantly, oxidation of the lipids results in a drop of the electric field threshold needed for pore formation (i.e., electroporation) in the PLB. The created pores in the membrane facilitate the penetration of reactive plasma species deep into the cell interior, eventually causing oxidative damage.

General significance: This study is of particular interest for plasma medicine, as plasma generates both ROS and electric fields, but it is also of more general interest for applications where strong electric fields and ROS both come into play.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000397366200012 Publication Date 2017-01-27
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0304-4165 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.702 Times cited Open Access OpenAccess
Notes This work is financially supported by the Fund for Scientific Research Flanders (FWO; grant numbers: 1200216N and 11U5416N). The work was carried out using the Turing HPC infrastructure of the CalcUA core facility of the Universiteit Antwerpen, a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flem Approved Most recent IF: 4.702
Call Number PLASMANT @ plasmant @ c:irua:140095 Serial 4413
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Author Lu, A.K.A.; Pourtois, G.; Luisier, M.; Radu, I.P.; Houssa, M.
Title On the electrostatic control achieved in transistors based on multilayered MoS2 : a first-principles study Type A1 Journal article
Year (down) 2017 Publication Journal of applied physics Abbreviated Journal
Volume 121 Issue 4 Pages 044505
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract In this work, the electrostatic control in metal-oxide-semiconductor field-effect transistors based on MoS2 is studied, with respect to the number of MoS2 layers in the channel and to the equivalent oxide thickness of the gate dielectric, using first-principles calculations combined with a quantum transport formalism. Our simulations show that a compromise exists between the drive current and the electrostatic control on the channel. When increasing the number of MoS2 layers, a degradation of the device performances in terms of subthreshold swing and OFF currents arises due to the screening of the MoS2 layers constituting the transistor channel. Published by AIP Publishing.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000393480100030 Publication Date 2017-01-26
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 Times cited Open Access
Notes Approved no
Call Number UA @ admin @ c:irua:152673 Serial 8329
Permanent link to this record
 

 
Author Álvarez-Martín, A.; Sanchez-Martin, M.J.; Ordax, J.M.; Marin-Benito, J.M.; Sonia Rodriguez-Cruz, M.
Title Leaching of two fungicides in spent mushroom substrate amended soil : I influence of amendment rate, fungicide ageing and flow condition Type A1 Journal article
Year (down) 2017 Publication The science of the total environment Abbreviated Journal
Volume 584 Issue Pages 828-837
Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Abstract A study has been conducted on the leaching of two fungicides, tebuconazole and cymoxanil, in a soil amended with spent mushroom substrate (SMS), with an evaluation of how different factors influence this process.The objective was based on the potential use of SMS as a biosorbent for immobilizing pesticides in vulnerable soils, and the need to know how it could affect the subsequent transport of these retained compounds. Breakthrough curves (BTCs) for C-14-fungicides, non-incubated and incubated over 30 days, were obtained in columns packed with an unamended soil (S), and this soil amended with SMS at rates of 5% (S + SMS5) and 50% (S + SMS50) under saturated and saturated-unsaturated flows. The highest leaching of tebuconazole (> 50% of the total C-14 added) was found in S when a saturated water flow was applied to the column, but the percentage of leached fungidde decreased when a saturated-unsaturated flow was applied in both SMS-amended soils. Also a significant decrease in teaching was observed for tebuconazole after incubation in the column, especially in S + SMS50 when both flows were applied. Furthermore, cymoxanil leaching was complete in S and S + SMS when a saturated flow was applied, and maximum peak concentrations were reached at 1 pore volume (PV), although BTCs showed peaks with lower concentrations in S + SMS. The amounts of cymoxanil retained only increased in S + SMS when a saturated-unsaturated flow was applied. A more relevant effect of SMS for reducing the leaching of fungidde was observed when cymoxanil was previously incubated in the column, although mineralization was enhanced in this case. These results are of interest for extending SMS application on the control of the leaching of fungicides with different physicochemical characteristics after different ageing times in the soil and water flow conditions applied. (C) 2017 Elsevier B.V. All rights reserved.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000399358500080 Publication Date 2017-01-26
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0048-9697; 1879-1026 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited Open Access
Notes Approved no
Call Number UA @ admin @ c:irua:160643 Serial 8168
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Author Barhoum, A.; Van Assche, G.; Rahier, H.; Fleisch, M.; Bals, S.; Delplancked, M.-P.; Leroux, F.; Bahnemann, D.
Title Sol-gel hot injection synthesis of ZnO nanoparticles into a porous silica matrix and reaction mechanism Type A1 Journal article
Year (down) 2017 Publication Materials & design Abbreviated Journal Mater Design
Volume 119 Issue 119 Pages 270-276
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Despite the enormous interest in the properties and applications of porous silica matrix, only a few attempts have been reported to deposit metal and metal oxide nanoparticles (NPs) inside the porous silica matrix. We report a simple approach (i.e. sol-gel hot injection) for insitu synthesis of ZnO NPs inside a porous silica matrix. Control of the Zn:Si molar ratio, reaction temperature, pH value, and annealing temperature permits formation of ZnO NPs (<= 10 nm) inside a porous silica particles, without additives or organic solvents. Results revealed that a solid state reaction inside the ZnO/SiO2 nanocomposites occurs with increasing the annealing temperature. The reaction of ZnO NPs with SiO2 matrix was insignificant up to approximately 500 degrees C. However, ZnO NPs react strongly with the silica matrix when the nanocomposites are annealed at temperatures above 700 degrees C. Extensive annealing of the ZnO/SiO2 nanocomposite at 900 degrees C yields 3D structures made of 500 nm rod-like, 5-7 pm tube-like and 35 pm needle-like Zn2SiO4 crystals. A possible mechanism for forming ZnO NPs inside porous silica matrix and phase transformation of the ZnO/SiO2 nanocomposites into 3D architectures of Zn2SiO4 are carefully discussed. (C) 2017 Elsevier Ltd. All rights reserved.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000397360000030 Publication Date 2017-01-23
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0264-1275 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.364 Times cited 43 Open Access Not_Open_Access
Notes ; A.B. would like to thank FWO – Research Foundation Flanders (grant no. V450315N) and the Strategic Initiative Materials in Flanders (SBO-project no. 130529 – INSITU) for financial support. TEM and TEM-EDX analyses were performed by Dr. F. Leroux (EMAT, Universiteit Antwerpen). XRD and DSC measurements were performed by T. Segato (4MAT, Universite Libre de Bruxelles). Notes: the authors declare no competing for financial interest. ; Approved Most recent IF: 4.364
Call Number UA @ lucian @ c:irua:142394UA @ admin @ c:irua:142394 Serial 4689
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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 (down) 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 Debroye, E.; Yuan, H.; Bladt, E.; Baekelant, W.; Van der Auweraer, M.; Hofkens, J.; Bals, S.; Roeffaers, M.B.J.
Title Facile morphology-controlled synthesis of organolead iodide perovskite nanocrystals using binary capping agents Type A1 Journal article
Year (down) 2017 Publication ChemNanoMat : chemistry of nanomaterials for energy, biology and more Abbreviated Journal Chemnanomat
Volume 3 Issue 3 Pages 223-227
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract Controlling the morphology of organolead halide perovskite crystals is crucial to a fundamental understanding of the materials and to tune their properties for device applications. Here, we report a facile solution-based method for morphology-controlled synthesis of rod-like and plate-like organolead halide perovskite nanocrystals using binary capping agents. The morphology control is likely due to an interplay between surface binding kinetics of the two capping agents at different crystal facets. By high-resolution scanning transmission electron microscopy, we show that the obtained nanocrystals are monocrystalline. Moreover, long photoluminescence decay times of the nanocrystals indicate long charge diffusion lengths and low trap/defect densities. Our results pave the way for large-scale solution synthesis of organolead halide perovskite nanocrystals with controlled morphology for future device applications.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000399604300003 Publication Date 2017-01-18
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2199-692x ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.937 Times cited 19 Open Access OpenAccess
Notes ; We acknowledge financial support from the Research Foundation-Flanders (FWO, grant G.0197.11, G.0962.13, G0B39.15, postdoctoral fellowship to E. D. and H. Y.), KU Leuven Research Fund (C14/15/053), the Flemish government through long term structural funding Methusalem (CASAS2, Meth/15/04), the Hercules foundation (HER/11/14), the Belgian Federal Science Policy Office (IAP-PH05), the EC through the Marie Curie ITN project iSwitch (GA-642196) and the ERC project LIGHT (GA307523). S. B. acknowledges financial support from European Research Council (ERC Starting Grant # 335078-COLOURATOMS). E. B. gratefully acknowledges financial support by the Flemish Fund for Scientific Research (FWO Vlaanderen). ; ecas_Sara Approved Most recent IF: 2.937
Call Number UA @ lucian @ c:irua:143678UA @ admin @ c:irua:143678 Serial 4656
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