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Author Lentijo-Mozo, S.; Tan, R.P.; Garcia-Marcelot, C.; Altantzis, T.; Fazzini, P.F.; Hungria, T.; Cormary, B.; Gallagher, J.R.; Miller, J.T.; Martinez, H.; Schrittwieser, S.; Schotter, J.; Respaud, M.; Bals, S.; Van Tendeloo, G.; Gatel, C.; Soulantica, K.
Title Air- and water-resistant noble metal coated ferromagnetic cobalt nanorods Type A1 Journal article
Year 2015 Publication ACS nano Abbreviated Journal Acs Nano
Volume 9 Issue 9 Pages 2792-2804
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract Cobalt nanorods possess ideal magnetic properties for applications requiring magnetically hard nanoparticles. However, their exploitation is undermined by their sensitivity toward oxygen and water, which deteriorates their magnetic properties. The development of a continuous metal shell inert to oxidation could render them stable, opening perspectives not only for already identified applications but also for uses in which contact with air and/or aqueous media is inevitable. However, the direct growth of a conformal noble metal shell on magnetic metals is a challenge. Here, we show that prior treatment of Co nanorods with a tin coordination compound is the crucial step that enables the subsequent growth of a continuous noble metal shell on their surface, rendering them air- and water-resistant, while conserving the monocrystallity, metallicity and the magnetic properties of the Co core. Thus, the as-synthesized coreshell ferromagnetic nanorods combine high magnetization and strong uniaxial magnetic anisotropy, even after exposure to air and water, and hold promise for successful implementation in in vitro biodiagnostics requiring probes of high magnetization and anisotropic shape.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000351791800055 Publication Date 2015-03-03
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 (down) 25 Open Access OpenAccess
Notes 312483 Esteem2; 246791 Countatoms; 335078 Colouratom; esteem2ta; ECASSara; (ROMEO:white; preprint:; postprint:restricted 12 months embargo; pdfversion:cannot); Approved Most recent IF: 13.942; 2015 IF: 12.881
Call Number c:irua:125380 c:irua:125380 Serial 87
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Author Bladt, E.; Pelt, D.M.; Bals, S.; Batenburg, K.J.
Title Electron tomography based on highly limited data using a neural network reconstruction technique Type A1 Journal article
Year 2015 Publication Ultramicroscopy Abbreviated Journal Ultramicroscopy
Volume 158 Issue 158 Pages 81-88
Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Vision lab
Abstract Gold nanoparticles are studied extensively due to their unique optical and catalytical properties. Their exact shape determines the properties and thereby the possible applications. Electron tomography is therefore often used to examine the three-dimensional (3D) shape of nanoparticles. However, since the acquisition of the experimental tilt series and the 3D reconstructions are very time consuming, it is difficult to obtain statistical results concerning the 3D shape of nanoparticles. Here, we propose a new approach for electron tomography that is based on artificial neural networks. The use of a new reconstruction approach enables us to reduce the number of projection images with a factor of 5 or more. The decrease in acquisition time of the tilt series and use of an efficient reconstruction algorithm allows us to examine a large amount of nanoparticles in order to retrieve statistical results concerning the 3D shape.
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Corporate Author Thesis
Publisher Place of Publication Amsterdam Editor
Language Wos 000361574800011 Publication Date 2015-07-10
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 (down) 25 Open Access OpenAccess
Notes 335078 COLOURATOM; FWO; COST Action MP1207; 312483 ESTEEM2; esteem2jra4; ECASSara; (ROMEO:green; preprint:; postprint:can ; pdfversion:cannot); Approved Most recent IF: 2.843; 2015 IF: 2.436
Call Number c:irua:126675 c:irua:126675 Serial 988
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Author da Silva, R.M.; Milošević, M.V.; Shanenko, A.A.; Peeters, F.M.; Albino Aguiar, J.
Title Giant paramagnetic Meissner effect in multiband superconductors Type A1 Journal article
Year 2015 Publication Scientific reports Abbreviated Journal Sci Rep-Uk
Volume 5 Issue 5 Pages 12695
Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
Abstract Superconductors, ideally diamagnetic when in the Meissner state, can also exhibit paramagnetic behavior due to trapped magnetic flux. In the absence of pinning such paramagnetic response is weak, and ceases with increasing sample thickness. Here we show that in multiband superconductors paramagnetic response can be observed even in slab geometries, and can be far larger than any previous estimate – even multiply larger than the diamagnetic Meissner response for the same applied magnetic field. We link the appearance of this giant paramagnetic response to the broad crossover between conventional Type-I and Type-II superconductors, where Abrikosov vortices interact non-monotonically and multibody effects become important, causing unique flux configurations and their locking in the presence of surfaces.
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Corporate Author Thesis
Publisher Nature Publishing Group Place of Publication London Editor
Language Wos 000359143700001 Publication Date 2015-08-05
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 (down) 25 Open Access
Notes ; This work was supported by the Brazilian science agencies CAPES (PNPD 223038.003145/2011-00), CNPq (307552/2012-8, 141911/2012-3, and APV-4 02937/ 2013-9), and FACEPE (APQ-0202-1.05/10 and BCT-0278-1.05/11), the Flemish Science Foundation (FWO-Vl), and by the CNPq-FWO cooperation programme (CNPq 490297/2009-9). R.M.S. acknowledges support from the SRS PhD+ program of the University Cooperation for Development of the Flemish Interuniversity Council (VLIR-UOS). M.V.M. acknowledges support from CNPq (APV-4 02937/2013-9), FACEPE (APV-0034-1.05/14), and CAPES (BEX1392/11-5). ; Approved Most recent IF: 4.259; 2015 IF: 5.578
Call Number c:irua:127212 Serial 1339
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Author Kuopanportti, P.; Orlova, N.V.; Milošević, M.V.
Title Ground-state multiquantum vortices in rotating two-species superfluids 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 043605
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract We show numerically that a rotating, harmonically trapped mixture of two Bose-Einstein-condensed superfluids cancontrary to its single-species counterpartcontain a multiply quantized vortex in the ground state of the system. This giant vortex can occur without any accompanying single-quantum vortices, may either be coreless or have an empty core, and can be realized in a Rb87−K41 Bose-Einstein condensate. Our results not only provide a rare example of a stable, solitary multiquantum vortex but also reveal exotic physics stemming from the coexistence of multiple, compositionally distinct condensates in one system.
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Corporate Author Thesis
Publisher Place of Publication Lancaster, Pa Editor
Language Wos 000352255200005 Publication Date 2015-04-07
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 (down) 25 Open Access
Notes ; This work was supported by the Finnish Cultural Foundation, the Research Foundation – Flanders (FWO), and the Magnus Ehrnrooth Foundation. We thank E. Ruokokoski and T. P. Simula for valuable comments and discussions. ; Approved Most recent IF: 2.925; 2015 IF: 2.808
Call Number c:irua:124906 Serial 1388
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Author Barreca, D.; Carraro, G.; Warwick, M.E.A.; Kaunisto, K.; Gasparotto, A.; Gombac, V.; Sada, C.; Turner, S.; Van Tendeloo, G.; Maccato, C.; Fornasiero, P.;
Title Fe2O3-TiO2 nanosystems by a hybrid PE-CVD/ALD approach : controllable synthesis, growth mechanism, and photocatalytic properties Type A1 Journal article
Year 2015 Publication CrystEngComm Abbreviated Journal Crystengcomm
Volume 17 Issue 17 Pages 6219-6226
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Supported Fe2O3–TiO2 nanocomposites are fabricated by an original vapor phase synthetic strategy, consisting of the initial growth of Fe2O3 nanosystems on fluorine-doped tin oxide substrates by plasma enhanced-chemical vapor deposition, followed by atomic layer deposition of TiO2 overlayers with variable thickness, and final thermal treatment in air. A thorough characterization of the target systems is carried out by X-ray diffraction, atomic force microscopy, field emission-scanning electron microscopy, energy dispersive X-ray spectroscopy, transmission electron microscopy, and X-ray photoelectron spectroscopy. High purity nanomaterials characterized by the co-presence of Fe2O3 (hematite) and TiO2 (anatase), with an intimate Fe2O3–TiO2 contact, are successfully obtained. In addition, photocatalytic tests demonstrate that, whereas both single-phase oxides do not show appreciable activity, the composite systems are able to degrade methyl orange aqueous solutions under simulated solar light, and even visible light, with an efficiency directly dependent on TiO2 overlayer thickness. This finding opens attractive perspectives for eventual applications in wastewater treatment.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000358915300018 Publication Date 2015-07-23
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1466-8033; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.474 Times cited (down) 25 Open Access
Notes The research leading to these results has received funding from the FP7 project “SOLAROGENIX” IJNMP4-SL-2012- 310333), as well as from Padova University ex-60% 2012–2015 projects, grant no. CPDR132937/13 (SOLLEONE), and Regione Lombardia-INSTM ATLANTE projects. S. T. acknowledges the FWO Flanders for a post-doctoral scholarship. Thanks are also due to Prof. S. Mathur and Dr. Y. Gönüllü (Department of Chemistry, Cologne University, Germany) for their precious help and assistance in ALD depositions, and to Prof. E. Bontempi (Chemistry for Technologies Laboratory, Brescia University, Italy) for XRD analyses. Approved Most recent IF: 3.474; 2015 IF: 4.034
Call Number c:irua:127237 Serial 3531
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Author Maes, D.; Van Dael, M.; Vanheusden, B.; Goovaerts, L.; Reumerman, P.; Luzardo, N.M.; Van Passel, S.
Title Assessment of the sustainability guidelines of EU Renewable Energy Directive : the case of biorefineries Type A1 Journal article
Year 2015 Publication Journal Of Cleaner Production Abbreviated Journal J Clean Prod
Volume 88 Issue Pages 61-70
Keywords A1 Journal article; Economics; Engineering Management (ENM)
Abstract Sustainability guidelines can help to safeguard the sustainable use of biological materials. When these guidelines are legally prescribed, their influence on the economic viability of bioenergy, biofuel and bioliquid projects is increased substantially, through their impact on national subsidy regimes and international trade. One of the key examples is the European directive 2009/28/EC, or the Renewable Energy Directive (RED), and the related COM/2010/11 that integrate guidelines for calculating greenhouse gas impact for various bioenergy pathways. This paper looks further into the sustainability results when influenced by principal decisions that are legally open for debate. Therefore, a concise review is conducted of the legal state-of-the-art on whether a product is waste or not. The review pinpoints uncertainty, leading to four potential legal scenarios. The sustainability of a complex biorefinery is analysed for each scenario. The results show (i) a high sensitivity to the principal decisions on the nature of waste materials in the scenarios, and (ii) to the definition of boundaries between the processes. More detailed rules for the application of the RED guidelines are needed, and should be complemented with methods specifically targeting all relevant sustainability aspects, thereby enhancing the overall understanding of the sustainability of the process. (C) 2014 Elsevier Ltd. All rights reserved.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000347771100007 Publication Date 2014-04-30
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0959-6526 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 5.715 Times cited (down) 25 Open Access
Notes ; We would like to thank the editor and the anonymous referees for their helpful suggestions and insightful comments that have significantly improved the paper. The 'Energy Conversion Parks' (ECP) project is funded as Project nr IVA-VLANED-2.39 by the Interreg IVa-Flanders-Netherlands program from the European Fund for Regional Development that stimulates cross border projects. Also the Dutch Ministry of Economic Affairs, the Flemish Government, the Provinces of Noord-Brabant (NL), Zeeland (NL), Limburg (BE) and the partners (VITO, Avans University of Applied Sciences, Wageningen University and Research, Hasselt University, and Zeeland University of Applied Sciences) themselves are co-financing the project. Finally, we would like to express our gratitude towards the organization of the eighth Conference on Sustainable Development of Energy, Water and Environment systems in Dubrovnik (Croatia) for giving us the opportunity to present and thereby fine-tune our work. ; Approved Most recent IF: 5.715; 2015 IF: 3.844
Call Number UA @ admin @ c:irua:127538 Serial 6157
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Author Filippousi, M.; Siafaka, P.I.; Amanatiadou, E.P.; Nanaki, S.G.; Nerantzaki, M.; Bikiaris, D.N.; Vizirianakis, I.S.; Van Tendeloo, G.
Title Modified chitosan coated mesoporous strontium hydroxyapatite nanorods as drug carriers Type A1 Journal article
Year 2015 Publication Journal of materials chemistry B : materials for biology and medicine Abbreviated Journal J Mater Chem B
Volume 3 Issue 3 Pages 5991-6000
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Mesoporous strontium hydroxyapatite (SrHAp) nanorods (NRs) have been successfully synthesized using a simple and efficient chemical route, i.e. the hydrothermal method. Structural and morphological characterization of the as-synthesized SrHAp NRs have been performed by transmission electron microscopy (TEM) and high angle annular dark field scanning transmission electron microscopy (HAADF-STEM). TEM and HAADF-STEM measurements of the NRs reveal the coexistence of longer and shorter particles with the length ranging from 50 nm to 400 nm and a diameter of about 20-40 nm. Electron tomography measurements of the NRs allow us to better visualize the mesopores and their facets. Two model drugs, hydrophobic risperidone and hydrophilic pramipexole, were loaded into the SrHAp NRs. These nanorods were coated using a modified chitosan (CS) with poly(2-hydroxyethyl methacrylate) (PHEMA), in order to encapsulate the drug-loaded SrHAp nanoparticles and reduce the cytotoxicity of the loaded materials. The drug release from neat and encapsulated SrHAp NRs mainly depends on the drug hydrophilicity. Importantly, although neat SrHAp nanorods exhibit some cytotoxicity against Caco-2 cells, the Cs-g-PHEMA-SrHAp drug-loaded nanorods show an acceptable cytocompatibility.
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Corporate Author Thesis
Publisher Place of Publication Cambridge Editor
Language Wos 000358065100009 Publication Date 2015-06-10
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2050-750X;2050-7518; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.543 Times cited (down) 24 Open Access
Notes Approved Most recent IF: 4.543; 2015 IF: 4.726
Call Number c:irua:127131 Serial 2161
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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.
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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 (down) 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 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.
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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 (down) 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 Chaves, A.; Farias, G.A.; Peeters, F.M.; Ferreira, R.
Title The Split-operator technique for the study of spinorial wavepacket dynamics Type A1 Journal article
Year 2015 Publication Communications in computational physics Abbreviated Journal Commun Comput Phys
Volume 17 Issue 17 Pages 850-866
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract The split-operator technique for wave packet propagation in quantum systems is expanded here to the case of propagatingwave functions describing Schrodinger particles, namely, charge carriers in semiconductor nanostructures within the effective mass approximation, in the presence of Zeeman effect, as well as of Rashba and Dresselhaus spin-orbit interactions. We also demonstrate that simple modifications to the expanded technique allow us to calculate the time evolution of wave packets describing Dirac particles, which are relevant for the study of transport properties in graphene.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000353695400010 Publication Date 2015-03-24
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1815-2406;1991-7120; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.004 Times cited (down) 24 Open Access
Notes ; The authors gratefully acknowledge fruitful discussions with J. M. Pereira Jr. and R. N. Costa Filho. This work was financially supported by CNPq through the INCT-NanoBioSimes and the Science Without Borders programs (contract 402955/ 2012-9), PRONEX/FUNCAP, CAPES, the Bilateral programme between Flanders and Brazil, and the Flemish Science Foundation (FWO-Vl). ; Approved Most recent IF: 2.004; 2015 IF: 1.943
Call Number c:irua:126028 Serial 3593
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Author Yan, L.; Tan, Z.; Ji, G.; Li, Z.; Fan, G.; Schryvers, D.; Shan, A.; Zhang, D.
Title A quantitative method to characterize the Al4C3-formed interfacial reaction: the case study of MWCNT/Al composites Type A1 Journal article
Year 2015 Publication Materials characterization Abbreviated Journal Mater Charact
Volume 112 Issue 112 Pages 213-218
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract The Al4C3-formed interfacial reaction plays an important role in tuning the mechanical and thermal properties of carbon/aluminum (C/Al) composites reinforced with carbonaceous materials such as multi-wall carbon nanotube (MWCNT) and graphene nanosheet. In terms of the hydrolysis nature of Al4C3, an electrochemical dissolution method was developed to quantitatively characterize the extent of C/Al interfacial reaction, which involves dissolving the composite samples in alkaline solution first, then collecting and measuring the CH4 gas released by Al4C3 hydrolysis with a gas chromatograph. Through a case study with powder metallurgy fabricated 2.0 wt.% MWCNT/Al composites, the detectability limit of the proposed method is 0.4 wt.% Al4C3, corresponding to 5 % extent of interfacial reaction with a measurement error of ±3 %. And then, with the already known MWCNT/Al reaction extent vs different sintering temperature and time, the reaction kinetics with an activation energy of 281 kJ mol-1 was successfully derived. Therefore, this rapid, sensitive, accurate method supplies an useful tool to optimize the processing and properties of all kinds of C/Al composites via interface design/control.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000370109200026 Publication Date 2015-12-29
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1044-5803 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.714 Times cited (down) 24 Open Access
Notes The authors would like to acknowledge the financial support of the National Basic Research Program of China (973 Program, No. 2012CB619600), the National High-Tech R&D Program (863 Program, No. 2012AA030611), the National Natural Science Foundation (Nos. 51071100, 51131004, 51401123, 51511130038) and the research grant (Nos. 14DZ2261200, 15JC1402100, 14520710100) from Shanghai government. Dr. Z.Q. Tan would also like to thank the project funded by the China Postdoctoral Science Foundation (No. 2014M561469). The research leading to these results has partially received funding from the European Union Seventh Framework Program under Grant Agreement 312483 – ESTEEM2 (Integrated Infrastructure Initiative – I3).; esteem2_jra2 Approved Most recent IF: 2.714; 2015 IF: 1.845
Call Number c:irua:130066 c:irua:130066 Serial 3997
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Author Aierken, Y.; Leenaerts, O.; Peeters, F.M.
Title Defect-induced faceted blue phosphorene nanotubes Type A1 Journal article
Year 2015 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 92 Issue 92 Pages 104104
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract The properties of a new class of phosphorene nanotubes (PNT) are investigated by performing first-principles calculations. We demonstrate that it is advantageous to use blue phosphorene in order to make small nanotubes and propose a way to create low-energy PNTs by the inclusion of defect lines. Five different types of defect lines are investigated and incorporated in various combinations. The resulting defect-induced faceted PNTs have negligible bending stresses which leads to a reduction in the formation energy with respect to round PNTs. Our armchair faceted PNTs have similar formation energies than the recently proposed multiphase faceted PNTs, but they have a larger variety of possible structures. Our zigzag faceted PNTs have lower formation energies than round tubes and multiphase faceted nanotubes. The electronic properties of the defect-induced faceted PNTs are determined by the defect lines which control the band gap and the shape of the electronic states at the band edges. These band gaps increase with the radius of the nanotubes and converge to those of isolated defect lines.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000361037200006 Publication Date 2015-09-12
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1098-0121 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.836 Times cited (down) 24 Open Access
Notes This work was supported by the Fonds Wetenschappelijk Onderzoek (FWO-Vl). The computational resources and ser- vices used in this work were provided by the VSC (Flemish Supercomputer Center), funded by the Hercules Foundation and the Flemish Government, department EWI. Approved Most recent IF: 3.836; 2015 IF: 3.736
Call Number c:irua:127837 Serial 4033
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Author Monico, L.; Janssens, K.; Hendriks, E.; Vanmeert, F.; van der Snickt, G.; Cotte, M.; Falkenberg, G.; Brunetti, B.G.; Miliani, C.
Title Evidence for degradation of the chrome yellows in Van Gogh's sunflowers : a study using noninvasive in situ methods and synchrotron-radiation-based x-ray techniques Type A1 Journal article
Year 2015 Publication Angewandte Chemie: international edition in English Abbreviated Journal Angew Chem Int Edit
Volume 54 Issue 47 Pages 13923-13927
Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Abstract This paper presents firm evidence for the chemical alteration of chrome yellow pigments in Van Gogh's Sunflowers (Van Gogh Museum, Amsterdam). Noninvasive in situ spectroscopic analysis at several spots on the painting, combined with synchrotron-radiation-based X-ray investigations of two microsamples, revealed the presence of different types of chrome yellow used by Van Gogh, including the lightfast PbCrO4 and the sulfur-rich PbCr1-xSxO4 (x approximate to 0.5) variety that is known for its high propensity to undergo photoinduced reduction. The products of this degradation process, i.e., Cr-III compounds, were found at the interface between the paint and the varnish. Selected locations of the painting with the highest risk of color modification by chemical deterioration of chrome yellow are identified, thus calling for careful monitoring in the future.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000367722500009 Publication Date 2015-10-20
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1433-7851; 0570-0833 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 11.994 Times cited (down) 24 Open Access
Notes ; We acknowledge financial support from the Italian MIUR project SICH-PRIN (2010329WPF_001) and BELSPO (Brussels) Project S2-ART (SD04A), GOA “SOLARPAINT” (Research Fund Antwerp University, BOF-2015), and FWO (Brussels) projects G.0C12.13, G.0704.08, G.01769.09. We thank ESRF (EC-1051, HG-26) and DESY (I-20120312 EC) for beamtime grants received. Noninvasive analysis of Sunflowers were supported by the EU FP7 programme CHARISMA (Grant 228330) and the Fund Inbev-Baillet Latour (Brussels). L.M. acknowledges financial support from the CNR Short Term Mobility Programme-2013. We thank Muriel Geldof, Luc Megens, Suzan de Groot (The Netherlands Cultural Heritage Agency, RCE), Chiara Grazia, David Buti (CNR-ISTM and SMAArt Centre), and the staff of the Van Gogh Museum for their collaboration. ; Approved Most recent IF: 11.994; 2015 IF: 11.261
Call Number UA @ admin @ c:irua:131110 Serial 5617
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Author Vanmeert, F.; van der Snickt, G.; Janssens, K.
Title Plumbonacrite identified by X-ray powder diffraction tomography as a missing link during degradation of red lead in a Van Gogh painting Type A1 Journal article
Year 2015 Publication Angewandte Chemie: international edition in English Abbreviated Journal Angew Chem Int Edit
Volume 54 Issue 12 Pages 3607-3610
Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Abstract Red lead, a semiconductor pigment used by artists since antiquity, is known to undergo several discoloration phenomena. These transformations are either described as darkening of the pigment caused by the formation of either plattnerite (β-PbO2) or galena (PbS) or as whitening by which red lead is converted into anglesite (PbSO4) or (hydro)cerussite (2 PbCO3⋅Pb(OH)2; PbCO3). X-ray powder diffraction tomography, a powerful analytical method that allows visualization of the internal distribution of different crystalline compounds in complex samples, was used to investigate a microscopic paint sample from a Van Gogh painting. A very rare lead mineral, plumbonacrite (3 PbCO3⋅ Pb(OH)2⋅PbO), was revealed to be present. This is the first reported occurrence of this compound in a painting dating from before the mid 20th century. It constitutes the missing link between on the one hand the photoinduced reduction of red lead and on the other hand (hydro)cerussite, and thus sheds new light on the whitening of red lead.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000351178300008 Publication Date 2015-02-20
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1433-7851; 0570-0833 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 11.994 Times cited (down) 24 Open Access
Notes ; The authors acknowledge L. Van der Loeff and M. Leeuwestein (Kroller-Muller Museum) for providing the paint sample. We thank Dr. J. Jaroszewicz (WUT) for performing the CT measurements. This research was carried out at the light source PETRA III at DESY, a member of the Helmholtz Association (HGF). We thank Dr. G. Falkenberg and the members of his team for their assistance in using beam line P06. We acknowledge financial support from the University of Antwerp GOA projects “XANES meets EELS” and “SOLARPaint”, as well as from BELSPO (Brussels) Project S2-ART and FWO (Brussels) project “ESRF-Dubble”. ; Approved Most recent IF: 11.994; 2015 IF: 11.261
Call Number UA @ admin @ c:irua:124620 Serial 5774
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Author Li, Y.J.; Wang, J.J.; Ye, J.C.; Ke, X.X.; Gou, G.Y.; Wei, Y.; Xue, F.; Wang, J.; Wang, C.S.; Peng, R.C.; Deng, X.L.; Yang, Y.; Ren, X.B.; Chen, L.Q.; Nan, C.W.; Zhang, J.X.;
Title Mechanical switching of nanoscale multiferroic phase boundaries Type A1 Journal article
Year 2015 Publication Advanced functional materials Abbreviated Journal Adv Funct Mater
Volume 25 Issue 25 Pages 3405-3413
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract Tuning the lattice degree of freedom in nanoscale functional crystals is critical to exploit the emerging functionalities such as piezoelectricity, shape-memory effect, or piezomagnetism, which are attributed to the intrinsic lattice-polar or lattice-spin coupling. Here it is reported that a mechanical probe can be a dynamic tool to switch the ferroic orders at the nanoscale multiferroic phase boundaries in BiFeO3 with a phase mixture, where the material can be reversibly transformed between the soft tetragonal-like and the hard rhombohedral-like structures. The microscopic origin of the nonvolatile mechanical switching of the multiferroic phase boundaries, coupled with a reversible 180 degrees rotation of the in-plane ferroelectric polarization, is the nanoscale pressure-induced elastic deformation and reconstruction of the spontaneous strain gradient across the multiferroic phase boundaries. The reversible control of the room-temperature multiple ferroic orders using a pure mechanical stimulus may bring us a new pathway to achieve the potential energy conversion and sensing applications.
Address
Corporate Author Thesis
Publisher Place of Publication Weinheim Editor
Language Wos 000355992600017 Publication Date 2015-04-20
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1616-301X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 12.124 Times cited (down) 23 Open Access
Notes Approved Most recent IF: 12.124; 2015 IF: 11.805
Call Number c:irua:126430 Serial 1976
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Author Kaminsky, F.V.; Ryabchikov, I.D.; McCammon, C.A.; Longo, M.; Abakumov, A.M.; Turner, S.; Heidari, H.
Title Oxidation potential in the Earth's lower mantle as recorded by ferropericlase inclusions in diamond Type A1 Journal article
Year 2015 Publication Earth and planetary science letters Abbreviated Journal Earth Planet Sc Lett
Volume 417 Issue 417 Pages 49-56
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Ferropericlase (fPer) inclusions from kimberlitic lower-mantle diamonds recovered in the Juina area, Mato Grosso State, Brazil were analyzed with transmission electron microscopy, electron energy-loss spectroscopy and the flank method. The presence of exsolved non-stoichiometric Fe3+-enriched clusters, varying in size from 1-2 nm to 10-15 nm and comprising similar to 3.64 vol.% of fPer was established. The oxidation conditions necessary for fPer formation within the uppermost lower mantle (P = 25 GPa, T = 1960 K) vary over a wide range: Delta log f(o2) (IW) from 1.58 to 7.76 (Delta = 6.2), reaching the fayalite-magnetite-quartz (FMQ) oxygen buffer position. This agrees with the identification of carbonates and free silica among inclusions within lower-mantle Juina diamonds. On the other hand, at the base of the lower mantle Delta log f(o2) values may lie at and below the iron-wustite (IW) oxygen buffer. Hence, the variations of Delta log f(o2) values within the entire sequence of the lower mantle may reach ten logarithmic units, varying from the IW buffer to the FMQ buffer values. The similarity between lower- and upper-mantle redox conditions supports whole mantle convection, as already suggested on the basis of nitrogen and carbon isotopic compositions in lower- and upper-mantle diamonds. The mechanisms responsible for redox differentiation in the lower mantle may include subduction of oxidized crustal material, mechanical separation of metallic phase(s) and silicate-oxide mineral assemblages enriched in ferric iron, as well as transfer of fused silicate-oxide material presumably also enriched in ferric iron through the mantle. (C) 2015 Elsevier B.V. All rights reserved.
Address
Corporate Author Thesis
Publisher Place of Publication Amsterdam Editor
Language Wos 000351799400006 Publication Date 2015-03-05
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0012-821X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.409 Times cited (down) 23 Open Access
Notes Approved Most recent IF: 4.409; 2015 IF: 4.734
Call Number c:irua:125451 Serial 2539
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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
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 (down) 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
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Author McCalla, E.; Prakash, A.S.; Berg, E.; Saubanere, M.; Abakumov, A.M.; Foix, D.; Klobes, B.; Sougrati, M.T.; Rousse, G.; Lepoivre, F.; Mariyappan, S.; Doublet, M.L.; Gonbeau, D.; Novak, P.; Van Tendeloo, G.; Hermann, R.P.; Tarascon, J.M.;
Title Reversible Li-intercalation through oxygen reactivity in Li-rich Li-Fe-Te oxide materials Type A1 Journal article
Year 2015 Publication Journal of the electrochemical society Abbreviated Journal J Electrochem Soc
Volume 162 Issue 162 Pages A1341-A1351
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Lithium-rich oxides are a promising class of positive electrode materials for next generation lithium-ion batteries, and oxygen plays a prominent role during electrochemical cycling either by forming peroxo-like species and/or by irreversibly forming oxygen gas during first charge. Here, we present Li-Fe-Te-O materials which show a tremendous amount of oxygen gas release. This oxygen release accounts for nearly all the capacity during the first charge and results in vacancies as seen by transmission electron microscopy. There is no oxidation of either metal during charge but significant changes in their environments. These changes are particularly extreme for tellurium. XRD and neutron powder diffraction both show limited Changes during cycling and no appreciable change in lattice parameters. A density functional theory study of this material is performed and demonstrates that the holes created on some of the oxygen atoms upon oxidation are partially stabilized through the formation of shorter O-O bonds, i.e. (O-2)(n-) species which on further delithiation show a spontaneous O-2 de-coordination from the cationic network and migration to the now empty lithium layer. The rate limiting step during charge is undoubtedly the diffusion of oxygen either out along the lithium layer or via columns of oxygen atoms. (C) 2015 The Electrochemical Society. All rights reserved.
Address
Corporate Author Thesis
Publisher Place of Publication New York, N.Y. Editor
Language Wos 000355643700030 Publication Date 2015-04-29
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0013-4651;1945-7111; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.259 Times cited (down) 23 Open Access
Notes Approved Most recent IF: 3.259; 2015 IF: 3.266
Call Number c:irua:126445 Serial 2903
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Author Shanenko, A.A.; Aguiar, J.A.; Vagov, A.; Croitoru, M.D.; Milošević, M.V.
Title Atomically flat superconducting nanofilms: multiband properties and mean-field theory Type A1 Journal article
Year 2015 Publication Superconductor science and technology Abbreviated Journal Supercond Sci Tech
Volume 28 Issue 28 Pages 054001
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Recent progress in materials synthesis enabled fabrication of superconducting atomically flat single-crystalline metallic nanofilms with thicknesses down to a few monolayers. Interest in such nano-thin systems is attracted by the dimensional 3D-2D crossover in their coherent properties which occurs with decreasing the film thickness. The first fundamental aspect of this crossover is dictated by the Mermin-Wagner-Hohenberg theorem and concerns frustration of the long-range order due to superconductive fluctuations and the possibility to track its impact with an unprecedented level of control. The second important aspect is related to the Fabri-Perot modes of the electronic motion strongly bound in the direction perpendicular to the nanofilm. The formation of such modes results in a pronounced multiband structure that changes with the nanofilm thickness and affects both the mean-field behavior and superconductive fluctuations. Though the subject is very rich in physics, it is scarcely investigated to date. The main obstacle is that there are no manageable models to study a complex magnetic response in this case. Full microscopic consideration is rather time consuming, if practicable at all, while the standard Ginzburg-Landau theory is not applicable. In the present work we review the main achievements in the subject to date, and construct and justify an efficient multiband mean-field formalism which allows for numerical and even analytical treatment of nano-thin superconductors in applied magnetic fields.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000353015700005 Publication Date 2015-03-19
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 (down) 23 Open Access
Notes This work was supported by the Brazilian agencies CNPq (grants 307552/2012-8 and 141911/2012-3) and FACEPE (APQ-0589-1.05/08). AAS acknowledges fruitful discussions with A Perali and D Neilson during his stay in the University of Camerino and is thankful for partial support of his visit by the University of Camerino under the project FAR 'Control and enhancement of superconductivity by engineering materials at the nanoscale'. MDC acknowledges the support from the Back to Belgium Grant of the federal Science Policy (BELSPO). Approved Most recent IF: 2.878; 2015 IF: 2.325
Call Number c:irua:132501 Serial 3944
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Author de de Meux, A.J.; Pourtois, G.; Genoe, J.; Heremans, P.
Title Comparison of the electronic structure of amorphous versus crystalline indium gallium zinc oxide semiconductor : structure, tail states and strain effects Type A1 Journal article
Year 2015 Publication Journal of physics: D: applied physics Abbreviated Journal J Phys D Appl Phys
Volume 48 Issue 48 Pages 435104
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract We study the evolution of the structural and electronic properties of crystalline indium gallium zinc oxide (IGZO) upon amorphization by first-principles calculation. The bottom of the conduction band (BCB) is found to be constituted of a pseudo-band of molecular orbitals that resonate at the same energy on different atomic sites. They display a bonding character between the s orbitals of the metal sites and an anti-bonding character arising from the interaction between the oxygen and metal s orbitals. The energy level of the BCB shifts upon breaking of the crystal symmetry during the amorphization process, which may be attributed to the reduction of the coordination of the cationic centers. The top of the valence band (TVB) is constructed from anti-bonding oxygen p orbitals. In the amorphous state, they have random orientation, in contrast to the crystalline state. This results in the appearance of localized tail states in the forbidden gap above the TVB. Zinc is found to play a predominant role in the generation of these tail states, while gallium hinders their formation. Last, we study the dependence of the fundamental gap and effective mass of IGZO on mechanical strain. The variation of the gap under strain arises from the enhancement of the anti-bonding interaction in the BCB due to the modification of the length of the oxygen-metal bonds and/or to a variation of the cation coordination. This effect is less pronounced for the amorphous material compared to the crystalline material, making amorphous IGZO a semiconductor of choice for flexible electronics. Finally, the effective mass is found to increase upon strain, in contrast to regular materials. This counterintuitive variation is due to the reduction of the electrostatic shielding of the cationic centers by oxygen, leading to an increase of the overlaps between the metal orbitals at the origin of the delocalization of the BCB. For the range of strain typically met in flexible electronics, the induced variation in the effective mass is found to be negligible (less than 1%).
Address
Corporate Author Thesis
Publisher Place of Publication London Editor
Language Wos 000365876300012 Publication Date 2015-09-30
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0022-3727 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.588 Times cited (down) 23 Open Access
Notes Approved Most recent IF: 2.588; 2015 IF: 2.721
Call Number UA @ lucian @ c:irua:130277 Serial 4153
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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
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 (down) 22 Open Access
Notes Approved Most recent IF: 9.466; 2015 IF: 8.354
Call Number c:irua:125469 Serial 2373
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Author Zhang, Y.; Wang, H.-yu; Jiang, W.; Bogaerts, A.
Title Two-dimensional particle-in cell/Monte Carlo simulations of a packed-bed dielectric barrier discharge in air at atmospheric pressure Type A1 Journal article
Year 2015 Publication New journal of physics Abbreviated Journal New J Phys
Volume 17 Issue 17 Pages 083056
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract The plasma behavior in a parallel-plate dielectric barrier discharge (DBD) is simulated by a two-dimensional particle-in-cell/Monte Carlo collision model, comparing for the first time an unpacked (empty) DBD with a packed bed DBD, i.e., a DBD filled with dielectric spheres in the gas gap. The calculations are performed in air, at atmospheric pressure. The discharge is powered by a pulse with a voltage amplitude of −20 kV. When comparing the packed and unpacked DBD reactors with the same dielectric barriers, it is clear that the presence of the dielectric packing leads to a transition in discharge behavior from a combination of negative streamers and unlimited surface streamers on the bottom dielectric surface to a combination of predominant positive streamers and limited surface discharges on the dielectric surfaces of the beads and plates. Furthermore, in the packed bed DBD, the electric field is locally enhanced inside the dielectric material, near the contact points between the beads and the plates, and therefore also in the plasma between the packing beads and between a bead and the dielectric wall, leading to values of $4\times {10}
Address
Corporate Author Thesis
Publisher Place of Publication Bristol Editor
Language Wos 000360957800003 Publication Date 2015-08-28
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1367-2630; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.786 Times cited (down) 22 Open Access
Notes Approved Most recent IF: 3.786; 2015 IF: 3.558
Call Number c:irua:127650 Serial 3777
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Author Gorle, C.; Garcia Sánchez, C.; Iaccarino, G.
Title Quantifying inflow and RANS turbulence model form uncertainties for wind engineering flows Type A1 Journal article
Year 2015 Publication Journal of wind engineering and industrial aerodynamics T2 – 6th International Symposium on Computational Wind Engineering (CWE), JUN 08-12, 2014, Hamburg, GERMANY Abbreviated Journal J Wind Eng Ind Aerod
Volume 144 Issue 144 Pages 202-212
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Reynolds-averaged Navier-Stokes (RANS) simulations are often used in the wind engineering practice for the analysis of turbulent bluff body flows. An approach that allows identifying the uncertainty related to the use of reduced-order turbulence models in RANS simulations would significantly increase the confidence in the use of simulation results as a basis for design decisions. In the present study we apply a strategy that enables quantifying these uncertainties by introducing perturbations in the Reynolds stress tensor to simulations of the flow in downtown Oklahoma City. The method is combined with a framework to quantify uncertainties in the inflow wind direction and intensity, and the final result of the UQ approach is compared to field measurement data for the velocity at 13 locations in the downtown area. (C) 2015 Elsevier Ltd. All rights reserved.
Address
Corporate Author Thesis
Publisher Elsevier science bv Place of Publication Amsterdam Editor
Language Wos 000360874900023 Publication Date 2015-08-18
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0167-6105 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.049 Times cited (down) 22 Open Access
Notes Approved Most recent IF: 2.049; 2015 IF: 1.414
Call Number UA @ lucian @ c:irua:127843 Serial 4230
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Author Brito, B.G.A.; Candido, L.; Hai, G.-Q.; Peeters, F.M.
Title Quantum effects in a free-standing graphene lattice : path-integral against classical Monte Carlo simulations Type A1 Journal article
Year 2015 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 92 Issue 92 Pages 195416
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract In order to study quantum effects in a two-dimensional crystal lattice of a free-standing monolayer graphene, we have performed both path-integral Monte Carlo (PIMC) and classical Monte Carlo (MC) simulations for temperatures up to 2000 K. The REBO potential is used for the interatomic interaction. The total energy, interatomic distance, root-mean-square displacement of the atom vibrations, and the free energy of the graphene layer are calculated. The obtained lattice vibrational energy per atom from the classical MC simulation is very close to the energy of a three-dimensional harmonic oscillator 3k(B)T. The PIMC simulation shows that quantum effects due to zero-point vibrations are significant for temperatures T < 1000 K. The quantum contribution to the lattice vibrational energy becomes larger than that of the classical lattice for T < 400 K. The lattice expansion due to the zero-point motion causes an increase of 0.53% in the lattice parameter. A minimum in the lattice parameter appears at T similar or equal to 500 K. Quantum effects on the atomic vibration amplitude of the graphene lattice and its free energy are investigated.
Address
Corporate Author Thesis
Publisher Place of Publication Lancaster, Pa Editor
Language Wos 000368095400004 Publication Date 2015-11-13
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 (down) 22 Open Access
Notes ; This research was supported by the Brazilian agencies FAPESP, FAPEG, and CNPq, the Flemish Science Foundation (FWO-Vl) and the Methusalem Foundation of the Flemish Government. ; Approved Most recent IF: 3.836; 2015 IF: 3.736
Call Number UA @ lucian @ c:irua:131144 Serial 4232
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Author Trentelman, K.; Janssens, K.; van der Snickt, G.; Szafran, Y.; Woollett, A.T.; Dik, J.
Title Rembrandt's An Old Man in Military Costume: the underlying image re-examined Type A1 Journal article
Year 2015 Publication Applied physics A : materials science & processing Abbreviated Journal Appl Phys A-Mater
Volume 121 Issue 3 Pages 801-811
Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Abstract The painting An Old Man in Military Costume in the J. Paul Getty Museum, by Rembrandt Harmensz van Rijn, was studied using two complementary, element-specific imaging techniques-neutron activation autoradiography (NAAR) and macro-X-ray fluorescence (MA-XRF) mapping-to reveal the second, hidden painting. NAAR provided a strong image of the face and cloak of the underlying figure, along with an indication of the chemical composition. The single-element distribution maps produced by MA-XRF mapping provided additional details into the shape of the underlying image and the composition of the pigments used. The underlying figure's face is richer in mercury, indicative of the pigment vermilion, than the face of the figure on the surface. Likewise, the cloak of the underlying figure is richer in copper than the surface figure though the identity of the copper-containing pigment cannot be determined from these data. The use of iron earth pigments, specifically Si-rich umbers, is indicated through the complementary information provided by the NAAR and MA-XRF maps. These data are used to create a false color digital reconstruction, yielding the most detailed representation of the underlying painting to date.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000364914100003 Publication Date 2015-08-31
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0947-8396 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.455 Times cited (down) 22 Open Access
Notes ; The authors gratefully acknowledge the assistance of all those who aided in the examination of this painting over the decades, that has culminated in the work presented here. Particular thanks go to Mark Leonard (former head of Paintings Conservation at the J. Paul Getty Museum) and Henry Prask (NIST) for carrying out the NAAR analysis; John Twilley (former GCI Scientist) for early investigations; Andrea Sartorius (former JPGM Paintings intern) for creating a mock-up painting used in earlier phases of this work; Peter Reishig (former GCI intern) for compiling the NAAR data; Catherine Patterson, Lynn Lee, and David Carson (GCI Science) and Gene Karraker (JPGM Paintings Conservation) for helping with the setup and operation of the M6 Jetstream; and Giacomo Chiari (former head of GCI Science) for performing the XRD analysis. Koen Janssens and Geert van der Snickt acknowledge the Fund Inbev-Baillet Latour for financial support. Joris Dik acknowledges the help of the Netherlands Organization for Scientific Research (NWO) in the form of a VIDI grant in the Innovational Research Incentive Scheme. ; Approved Most recent IF: 1.455; 2015 IF: 1.704
Call Number UA @ admin @ c:irua:130289 Serial 5812
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Author Caretti, I.; Keulemans, M.; Verbruggen, S.W.; Lenaerts, S.; Van Doorslaer, S.
Title Light-induced processes in plasmonic Gold/TiO2 photocatalysts studied by electron paramagnetic resonance Type A1 Journal article
Year 2015 Publication Topics in catalysis Abbreviated Journal Top Catal
Volume 58 Issue 12 Pages 776-782
Keywords A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL)
Abstract X-band and W-band continuous-wave (CW) electron paramagnetic resonance (EPR) was used to study in situ light-induced (LI) mechanisms in commercial P90 titania (90 % anatase/10 % rutile) compared to plasmon-enhanced Au-P90 photocatalyst. These materials were excited using UV and 532 nm visible light to generate different excitation states and distinguish pure charge separation from plasmon-assisted resonance processes. Up to nine different photoinduced species of trapped electrons and holes were identified. LI CW EPR of P90 is presented for the first time, showing a UV excitation response similar to the well-known mixed-phase P25 titania. It is shown that incorporation of Au nanoparticles in Au-P90 and formation of a Schottky junction affects the charge separation state of the catalyst under UV light. Moreover, Au impregnation activated P90 through plasmon hot electron injection under visible light excitation (plasmonic sensitization effect). In general, EPR proved to be crucial to determine the different photoexciation paths and reactions that regulate plasmonic photocatalysis.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000360011200008 Publication Date 2015-08-03
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1022-5528 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.486 Times cited (down) 22 Open Access
Notes ; IC and SVD acknowledge the Research Foundation-Flanders (FWO) for financial support (Grant G.0687.13). SV thanks FWO for financial support through a postdoctoral fellowship and MK acknowledges the agency for Innovation by Science and Technology in Flanders (IWT) for financial support (Ph.D. Grant). ; Approved Most recent IF: 2.486; 2015 IF: 2.365
Call Number UA @ admin @ c:irua:127413 Serial 5968
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Author Javon, E.; Gaceur, M.; Dachraoui, W.; Margeat, O.; Ackermann, J.; Ilenia Saba, M.; Delugas, P.; Mattoni, A.; Bals, S.; Van Tendeloo, G.
Title Competing forces in the self-assembly of coupled ZnO nanopyramids Type A1 Journal article
Year 2015 Publication ACS nano Abbreviated Journal Acs Nano
Volume 9 Issue 9 Pages 3685-3694
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract Self-assembly (SA) of nanostructures has recently gained increasing interest. A clear understanding of the process is not straightforward since SA of nanoparticles is a complex multiscale phenomenon including different driving forces. Here, we study the SA between aluminum doped ZnO nanopyramids into couples by combining inorganic chemistry and advanced electron microscopy techniques with atomistic simulations. Our results show that the SA of the coupled nanopyramids is controlled first by morphology, as coupling only occurs in the case of pyramids with well-developed facets of the basal planes. The combination of electron microscopy and atomistic modeling reveals that the coupling is further driven by strong ligandligand interaction between the bases of the pyramids as dominant force, while screening effects due to Al doping or solvent as well as corecore interaction are only minor contributions. Our combined approach provides a deeper understanding of the complex interplay between the interactions at work in the coupled SA of ZnO nanopyramids.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000353867000030 Publication Date 2015-03-12
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 (down) 21 Open Access OpenAccess
Notes Esmi; 335078 Colouratom; ECAS_Sara; (ROMEO:white; preprint:; postprint:restricted 12 months embargo; pdfversion:cannot); Approved Most recent IF: 13.942; 2015 IF: 12.881
Call Number c:irua:125978 Serial 434
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Author Béché, A.; Winkler, R.; Plank, H.; Hofer, F.; Verbeeck, J.
Title Focused electron beam induced deposition as a tool to create electron vortices Type A1 Journal article
Year 2015 Publication Micron Abbreviated Journal Micron
Volume 80 Issue 80 Pages 34-38
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Focused electron beam induced deposition (FEBID) is a microscopic technique that allows geometrically controlled material deposition with very high spatial resolution. This technique was used to create a spiral aperture capable of generating electron vortex beams in a transmission electron microscope (TEM). The vortex was then fully characterized using different TEM techniques, estimating the average orbital angular momentum to be approximately 0.8variant Planck's over 2pi per electron with almost 60% of the beam ending up in the l=1 state.
Address EMAT, University of Antwerp, Groenenborgerlaan 171, 2020 Antwerp, Belgium
Corporate Author Thesis
Publisher Place of Publication Editor
Language English Wos 000366770100006 Publication Date 2015-09-12
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0968-4328; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.98 Times cited (down) 21 Open Access
Notes A.B and J.V. acknowledge funding from the European Research Council under the 7th Framework Program (FP7), ERC Starting Grant No. 278510 VORTEX. J.V., R.W., H.P. and F.H. acknowledge financial support from the European Union under the 7th Framework Program (FP7) under a contract for an Integrated Infrastructure Initiative (Reference No. 312483 ESTEEM2). R.W and H.P also acknowledge financial support by the COST action CELINA (Nr. CM1301) and the EUROSTARS project TRIPLE-S (Nr. E!8213). The Qu-Ant-EM microscope was partly funded by the Hercules fund from the Flemish Government.; esteem2jra3 ECASJO; Approved Most recent IF: 1.98; 2015 IF: 1.988
Call Number c:irua:129203 c:irua:129203UA @ admin @ c:irua:129203 Serial 3946
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Author Schoelz, J.K.; Xu, P.; Meunier, V.; Kumar, P.; Neek-Amal, M.; Thibado, P.M.; Peeters, F.M.
Title Graphene ripples as a realization of a two-dimensional Ising model : a scanning tunneling microscope study 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 045413
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Ripples in pristine freestanding graphene naturally orient themselves in an array that is alternately curved-up and curved-down; maintaining an average height of zero. Using scanning tunneling microscopy (STM) to apply a local force, the graphene sheet will reversibly rise and fall in height until the height reaches 60%-70% of its maximum at which point a sudden, permanent jump occurs. We successfully model the ripples as a spin-half Ising magnetic system, where the height of the graphene plays the role of the spin. The permanent jump in height, controlled by the tunneling current, is found to be equivalent to an antiferromagnetic-to-ferromagnetic phase transition. The thermal load underneath the STM tip alters the local tension and is identified as the responsible mechanism for the phase transition. Four universal critical exponents are measured from our STM data, and the model provides insight into the statistical role of graphene's unusual negative thermal expansion coefficient.
Address
Corporate Author Thesis
Publisher Place of Publication Lancaster, Pa Editor
Language Wos 000348762200011 Publication Date 2015-01-12
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 (down) 21 Open Access
Notes ; This work was supported in part by Office of Naval Research (USA) under Grant No. N00014-10-1-0181 and National Science Foundation (USA) under Grant No. DMR-0855358. F. M. Peeters and M. Neek-Amal were supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem Foundation of the Flemish Government. ; Approved Most recent IF: 3.836; 2015 IF: 3.736
Call Number c:irua:123866 Serial 1377
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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.
Address
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 (down) 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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