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Author Chaves, A.; Farias, G.A.; Peeters, F.M.; Ferreira, R. pdf  doi
openurl 
  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.  
  Address  
  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 24 Open Access  
  Notes (down) ; 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 Delvaux, A.; Lumbeeck, G.; Idrissi, H.; Proost, J. pdf  doi
openurl 
  Title Effect of microstructure and internal stress on hydrogen absorption into Ni thin film electrodes during alkaline water electrolysis Type A1 Journal article
  Year 2020 Publication Electrochimica Acta Abbreviated Journal Electrochim Acta  
  Volume 340 Issue Pages 135970-10  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract Efforts to improve the cell efficiency of hydrogen production by water electrolysis continue to address the electrochemical kinetics of the oxygen and hydrogen evolution reactions in detail. The objective of this work is to study a parasitic reaction occurring during the hydrogen evolution reaction (HER), namely the absorption of hydrogen atoms into the bulk electrode. Effects of the electrode microstructure and internal stress on this reaction have been addressed as well in this paper. Ni thin film samples were deposited on a Si substrate by sputter deposition with different deposition pressures, resulting in different microstructures and varying levels of internal stress. These microstructures were first analyzed in detail by Transmission Electron Microscopy (TEM). Cathodic chrono-amperometric measurements and cyclic voltammetries have then been performed in a homemade electrochemical cell. These tests were coupled to a multi-beam optical sensor (MOS) in order to obtain in-situ curvature measurements during hydrogen absorption. Indeed, since hydrogen absorption in the thin film geometry results in a constrained volume expansion, internal stress generation during HER can be monitored by means of curvature measurements. Our results show that different levels of internal stress, grain size and twin boundary density can be obtained by varying the deposition parameters. From an electrochemical point of view, this paper highlights the fact that the electrochemical surface mechanisms during HER are the same for all the electrodes, regardless of their microstructure. However it is shown that the absolute amount of hydrogen being absorbed into the Ni thin films increases when the grain size is reduced, due to a higher grain boundaries density which are favourite absorption sites for hydrogen. At the same time, it was concluded that H-2 evolution is favoured at electrodes having a more compressive (i.e. a less tensile) internal stress. Finally, the subtle effect of microstructure on the hydrogen absorption rate will be discussed as well. (C) 2020 Elsevier Ltd. All rights reserved.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000521531800011 Publication Date 2020-02-26  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0013-4686 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 6.6 Times cited 2 Open Access Not_Open_Access  
  Notes (down) ; The authors gratefully acknowledge financial support of the Public Service of Wallonia e Department of Energy and Sustainable Building, through the project WallonHY. The ACOM-TEM work was supported by the Hercules Foundation [Grant No. AUHA13009], the Flemish Research Fund (FWO) [Grant No. G.0365.15 N], and the Flemish Strategic Initiative for Materials (SIM) under the project InterPoCo. We also like to cordially thank Ronny Santoro for carrying out the ICP-OES measurements. ; Approved Most recent IF: 6.6; 2020 IF: 4.798  
  Call Number UA @ admin @ c:irua:168536 Serial 6497  
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Author Grubova, I.Y.; Surmeneva, M.A.; Surmenev, R.A.; Neyts, E.C. url  doi
openurl 
  Title Effect of van der Waals interactions on the adhesion strength at the interface of the hydroxyapatite-titanium biocomposite : a first-principles study Type A1 Journal article
  Year 2020 Publication RSC advances Abbreviated Journal  
  Volume 10 Issue 62 Pages 37800-37805  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract Hydroxyapatite (HAP) is frequently used as biocompatible coating on Ti-based implants. In this context, the HAP-Ti adhesion is of crucial importance. Here, we report ab initio calculations to investigate the influence of Si incorporation into the amorphous calcium-phosphate (a-HAP) structure on the interfacial bonding mechanism between the a-HAP coating and an amorphous titanium dioxide (a-TiO2) substrate, contrasting two different density functionals: PBE-GGA, and DFT-D3, which are capable of describing the influence of the van der Waals (vdW) interactions. In particular, we discuss the effect of dispersion on the work of adhesion (W-ad), equilibrium geometries, and charge density difference (CDD). We find that replacement of P by Si in a-HAP (a-Si-HAP) with the creation of OH vacancies as charge compensation results in a significant increase in the bond strength between the coating and substrate in the case of using the PBE-GGA functional. However, including the vdW interactions shows that these forces considerably contribute to the W-ad. We show that the difference (W-ad – W-ad(vdW)) is on average more than 1.1 J m(-2) and 0.5 J m(-2) for a-HAP/a-TiO2 and a-Si-HAP/a-TiO2, respectively. These results reveal that including vdW interactions is essential for accurately describing the chemical bonding at the a-HAP/a-TiO2 interface.  
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  Publisher Place of Publication Editor  
  Language Wos 000583523300025 Publication Date 2020-10-14  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor Times cited Open Access  
  Notes (down) ; The authors gratefully acknowledge financial support from the Russian president's grant MK-330.2020.8 and BOF Fellowships for International Joint PhD students funded by University of Antwerp (UAntwerp, project number 32545). The work was carried out at Tomsk Polytechnic University within the framework of Tomsk Polytechnic University Competitiveness Enhancement Program grant and in part using the Turing HPC infrastructure of the CalcUA core facility of the UAntwerp, a division of the Flemish Supercomputer Centre (VSC), funded by the Hercules Foundation, the Flemish Government (department EWI) and the UAntwerp, Belgium. ; Approved Most recent IF: NA  
  Call Number UA @ admin @ c:irua:173603 Serial 6499  
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Author Amini, M.N.; Saniz, R.; Lamoen, D.; Partoens, B. doi  openurl
  Title Hydrogen impurities and native defects in CdO Type A1 Journal article
  Year 2011 Publication Journal of applied physics Abbreviated Journal J Appl Phys  
  Volume 110 Issue 6 Pages 063521,1-063521,7  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)  
  Abstract We have used first-principles calculations based on density functional theory to study point defects in CdO within the local density approximation and beyond (LDA+U). Hydrogen interstitials and oxygen vacancies are found to act as shallow donors and can be interpreted as the cause of conductivity in CdO. Hydrogen can also occupy an oxygen vacancy in its substitutional form and also acts as a shallow donor. Similar to what was found for ZnO and MgO, hydrogen creates a multicenter bond with its six oxygen neighbors in CdO. The charge neutrality level for native defects and hydrogen impurities has been calculated. It is shown that in the case of native defects, it is not uniquely defined. Indeed, this level depends highly on the chemical potentials of the species and one can obtain different values for different end states in the experiment. Therefore, a comparison with experiment can only be made if the chemical potentials of the species in the experiment are well defined. However, for the hydrogen interstitial defect, since this level is independent of the chemical potential of hydrogen, one can obtain a unique value for the charge neutrality level. We find that the Fermi level stabilizes at 0.43 eV above the conduction band minimum in the case of the hydrogen interstitial defect, which is in good agreement with the experimentally reported value of 0.4 eV.  
  Address  
  Corporate Author Thesis  
  Publisher American Institute of Physics Place of Publication New York, N.Y. Editor  
  Language Wos 000295619300041 Publication Date 2011-09-23  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0021-8979; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.068 Times cited 13 Open Access  
  Notes (down) ; The authors gratefully acknowledge financial support from the IWT-Vlaanderen through the ISIMADE project, the FWO-Vlaanderen through Project G.0191.08 and the BOF-NOI of the University of Antwerp. This work was carried out using the HPC infrastructure at the University of Antwerp (CalcUA), a division of the Flemish Supercomputer Center VSC. ; Approved Most recent IF: 2.068; 2011 IF: 2.168  
  Call Number UA @ lucian @ c:irua:93613 Serial 1533  
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Author Carmesin, C.; Schowalter, M.; Lorke, M.; Mourad, D.; Grieb, T.; Müller-Caspary, K.; Yacob, M.; Reithmaier, J.P.; Benyoucef, M.; Rosenauer, A.; Jahnke, F. url  doi
openurl 
  Title Interplay of morphology, composition, and optical properties of InP-based quantum dots emitting at the 1.55 \mum telecom wavelength Type A1 Journal article
  Year 2017 Publication Physical review B Abbreviated Journal Phys Rev B  
  Volume 96 Issue 23 Pages 235309  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract <script type='text/javascript'>document.write(unpmarked('Results for the development and detailed analysis of self-organized InAs/InAlGaAs/InP quantum dots suitable for single-photon emission at the 1.55 mu m telecom wavelength are reported. The structural and compositional properties of the system are obtained from high-resolution scanning transmission electron microscopy of individual quantum dots. The system is composed of almost pure InAs quantum dots embedded in quaternary InAlGaAs barrier material, which is lattice matched to the InP substrate. When using the measured results for a representative quantum-dot geometry as well as experimentally reconstructed alloy concentrations, a combination of strain-field and electronic-state calculations is able to reproduce the quantum-dot emission wavelength in agreement with the experimentally determined photoluminescence spectrum. The inhomogeneous broadening of the latter can be related to calculated variations of the emission wavelength for the experimentally deduced In-concentration fluctuations and size variations.'));  
  Address  
  Corporate Author Thesis  
  Publisher American Physical Society Place of Publication New York, N.Y Editor  
  Language Wos 000418654200009 Publication Date 2017-12-26  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2469-9969; 2469-9950 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.836 Times cited 3 Open Access OpenAccess  
  Notes (down) ; The authors gratefully acknowledge financial support from the Deutsche Forschungsgemeinschaft Project No. JA 14-1, the BMBF Projects Q.com-H No. 16KIS0111 and No. 16KIS0112, as well as computational resources from HLRN (Hannover, Berlin). ; Approved Most recent IF: 3.836  
  Call Number UA @ lucian @ c:irua:148505 Serial 4882  
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Author Basile, F.; Benito, P.; Bugani, S.; de Nolf, W.; Fornasari, G.; Janssens, K.; Morselli, L.; Scavetta, E.; Tonelli, D.; Vaccari, A. doi  openurl
  Title Combined use of synchrotron-radiation-based imaging techniques for the characterization of structured catalysts Type A1 Journal article
  Year 2010 Publication Advanced functional materials Abbreviated Journal Adv Funct Mater  
  Volume 20 Issue 23 Pages 4117-4126  
  Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)  
  Abstract Active-phase-coated metallic supports as structured catalysts are gaining attention in endothermic and exothermic processes because they improve heat transfer. The deposition of a well-adhered and stable catalyst layer on the metallic support constitutes an important feature for the successful application of the final material. In this work, coating of FeCrAlY foams is performed by a one-step electrosynthesis-deposition of hydrotalcite-type compounds, precursors of catalysts active in endothermic steam methane reforming. The catalysts are studied at different length scales by using, for the first time, a combination of several techniques: SEM/EDS and X-ray fluorescence, X-ray powder diffraction and absorption-tomography experiments on the micro- and nanoscales at a synchrotron facility. The results show that the morphology of the coating depends on the synthesis conditions and that the catalyst may be described as Ni metal crystallites dispersed on γ-Al2O3, homogeneously coating the FeCrAlY foam.  
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  Language Wos 000285392900010 Publication Date 2010-09-23  
  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 24 Open Access  
  Notes (down) ; The authors give thanks to Dr. Cloetens, for helping during the absorption tomography experiments, performed at ID19 of the ESRF; and P. Blauet and R. Toucolou, for helping during the mu-XRF/XRPD and nano-XRF experiments at ID22 and ID22-NI of the ESRF. The financial support from the Ministero per l'Istruzione, l'Universita e la Ricerca (MIUR, Roma, Italy) is gratefully acknowledged. ; Approved Most recent IF: 12.124; 2010 IF: 8.508  
  Call Number UA @ admin @ c:irua:85834 Serial 5525  
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Author Tytgat, T.; Hauchecorne, B.; Smits, M.; Verbruggen, S.; Lenaerts, S. doi  openurl
  Title Concept and validation of a fully automated photocatalytic test setup Type A1 Journal article
  Year 2012 Publication Journal of laboratory automation Abbreviated Journal Jala-J Lab Autom  
  Volume 17 Issue 2 Pages 134-143  
  Keywords A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)  
  Abstract Photocatalytic activity can be studied by several methods, each with its own strengths and weaknesses. To study photocatalytic activity in an easy, user-friendly, and realistic way, a completely new setup has been built. The setup is modularly constructed around Fourier transform infrared spectroscopy (FTIR) spectroscopy at the heart of it, resulting in great versatility. Complementary software has been written for automatic control of the setup and for processing the generated data. Two pollutants, oil and n-octane, are tested to validate the performance of the setup. These validation experiments confirm the usefulness and added value of the setup in general and of the FTIR detection methodology as well. It becomes clear that a system of online measurements with good repeatability, accuracy, and user-friendliness has been created.  
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  Language Wos 000304775300006 Publication Date 2014-07-23  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2211-0682 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.85 Times cited 15 Open Access  
  Notes (down) ; The authors disclosed receipt of the following financial support for the research and/or authorship of this article: This work was supported by a Ph.D. grant (T. Tytgat) funded by the Institute of Innovation by Science and Technology in Flanders (IWT) and by a Ph.D. grant (S. Verbruggen) from the Research Foundation of Flanders (FWO). Other funding was made possible by the University of Antwerp. ; Approved Most recent IF: 2.85; 2012 IF: 1.457  
  Call Number UA @ admin @ c:irua:96649 Serial 5935  
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Author Alaerts, L.; Van Acker, K.; Rousseau, S.; De Jaeger, S.; Moraga, G.; Dewulf, J.; De Meester, S.; Van Passel, S.; Compernolle, T.; Bachus, K.; Vrancken, K.; Eyckmans, J. url  doi
openurl 
  Title Towards a more direct policy feedback in circular economy monitoring via a societal needs perspective Type A1 Journal article
  Year 2019 Publication Resources, conservation and recycling Abbreviated Journal Resour Conserv Recy  
  Volume 149 Issue 149 Pages 363-371  
  Keywords A1 Journal article; Economics; Engineering Management (ENM); Sustainable Energy, Air and Water Technology (DuEL)  
  Abstract The increasing focus on circular economy at the level of governments and policy requires the development of appropriate indicators to effectively monitor the progress towards the circular economy. Currently two very different types of indicator areas are under development: (i) monitoring frameworks based on macro indicators that summarize the progress at (supra)national level, and (ii) micro indicators tailored towards assessing circularity at the level of products. It is not possible to obtain sufficiently direct feedback about the impact of policy interventions by either macro or micro indicators alone. In this paper, a conceptual approach is developed that aims to bridge the gap between the micro and macro level with meso level indicators, and thus ultimately deliver more direct feedback for policymakers, via the insertion of an extra level of meso indicators in between the macro and the micro level. These indicators have been extracted from a dedicated workshop that involved policy, sector and societal stakeholders. The aim of these indicators is to report on progress towards circular economy objectives based on the fulfillment of societal needs. In this way the consumption perspective is given a central position, and the role of circular business models is acknowledged. Following the development of the concept, the next steps towards tailored, flexible and agile monitoring frameworks for circular economy at (supra)national and regional level are outlined. The paper concludes with an illustrative example of the framework applied to the mobility system.  
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  Publisher Place of Publication Editor  
  Language Wos 000483414300034 Publication Date 2019-06-21  
  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  
  Impact Factor 3.313 Times cited 1 Open Access  
  Notes (down) ; The authors are very grateful for financial support received from the Flemish administration via the Steunpunt Circulaire Economie (Policy Research Centre Circular Economy). This publication contains the opinions of the authors, not that of the Flemish administration. The Flemish administration will not carry any liability with respect to the use that can be made of the produced data or conclusions. The authors are also grateful to the numerous stakeholders for extended discussions and comments. ; Approved Most recent IF: 3.313  
  Call Number UA @ admin @ c:irua:162774 Serial 6271  
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Author Lizin, S.; Leroy, J.; Delvenne, C.; Dijk, M.; De Schepper, E.; Van Passel, S. doi  openurl
  Title A patent landscape analysis for organic photovoltaic solar cells : identifying the technology's development phase Type A1 Journal article
  Year 2013 Publication Renewable Energy Abbreviated Journal Renew Energ  
  Volume 57 Issue Pages 5-11  
  Keywords A1 Journal article; Engineering sciences. Technology; Engineering Management (ENM)  
  Abstract Organic photovoltaics (OPV) have developed into a vast research area. Progress in various directions has made it difficult to monitor the technology's precise development state. We offer a patent landscape analysis over all OPV devices, their substrates and encapsulation materials to provide an overview of patenting activity from a historical, organizational, geographical and technological point of view. Such an exercise is instrumental for private companies and research institutes aiming at both internal or external technology creation. We discuss our findings in the context of the Industrial Life Cycle model and find OPV still residing in the fluid technology development phase. Technology development is still following an exponential growth path, with the majority of patents coming from the Asian continent and in general private companies. For devices, the main technological focus can be traced back to the “H01L-031” international patent classification (IPC) main group. For the queried substrates, the most attention has gone to glass, but paper and textile have drawn significant interest too. Finally, encapsulation is found to be a less mature research field given the smaller number of patent families. The latter shows that the technology has not matured to the level where processing is carried out on a commercial scale. (C) 2013 Elsevier Ltd. All rights reserved.  
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  Publisher Place of Publication Editor  
  Language Wos 000319025000002 Publication Date 2013-02-13  
  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  
  Impact Factor 4.357 Times cited 18 Open Access  
  Notes (down) ; The authors are much obliged to INTERREG for their financial support of the ORGANEXT project (www.organext.org), without which it would have been impossible to conduct this research. ; Approved Most recent IF: 4.357; 2013 IF: 3.361  
  Call Number UA @ admin @ c:irua:127551 Serial 6143  
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Author Lizin, S.; Van Passel, S.; De Schepper, E.; Maes, W.; Lutsen, L.; Manca, J.; Vanderzande, D. doi  openurl
  Title Life cycle analyses of organic photovoltaics : a review Type A1 Journal article
  Year 2013 Publication Energy & Environmental Science Abbreviated Journal Energ Environ Sci  
  Volume 6 Issue 11 Pages 3136-3149  
  Keywords A1 Journal article; Engineering sciences. Technology; Engineering Management (ENM)  
  Abstract This paper reviews the available life cycle analysis (LCA) literature on organic photovoltaics (OPVs). This branch of OPV research has focused on the environmental impact of single-junction bulk heterojunction polymer solar cells using a P3HT/PC60BM active layer blend processed on semi-industrial pilot lines in ambient surroundings. The environmental impact was found to be strongly decreasing through continuous innovation of the manufacturing procedures. The current top performing cell regarding environmental performance has a cumulative energy demand of 37.58 MJp m(-2) and an energy payback time in the order of months for cells having 2% efficiency, thereby rendering OPV cells one of the best performing PV technologies from an environmental point of view. Nevertheless, we find that LCA literature is lagging behind on the main body of OPV literature due to the lack of readily available input data. Still, LCA research has led us to believe that in the quest for higher efficiencies, environmental sustainability is being disregarded on the materials' side. Hence, we advise the scientific community to take the progress made on environmental sustainability aspects of OPV preparations into account not only because standard procedures put a bigger strain on the environment, but also because these methods may not be transferrable to an industrial process. Consequently, we recommend policy makers to subsidize research that bridges the gaps between fundamental materials research, stability, and scalability given that these constraints have to be fulfilled simultaneously if OPVs are ever to be successful on the market. Additionally, environmental sustainability will have to keep on being monitored to steer future developments in the right direction.  
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  Language Wos 000325946400002 Publication Date 2013-10-11  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1754-5692; 1754-5706 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 29.518 Times cited 124 Open Access  
  Notes (down) ; The authors are much obliged to both the INTERREG ORGAN-EXT project and FP7 MOLESOL project for their financial support, without which it would have been impossible to conduct this research. ; Approved Most recent IF: 29.518; 2013 IF: 15.490  
  Call Number UA @ admin @ c:irua:127548 Serial 6223  
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Author Bourgeois, L.; Zhang, Y.; Zhang, Z.; Chen, Y.; Medhekar, N., V url  doi
openurl 
  Title Transforming solid-state precipitates via excess vacancies Type A1 Journal article
  Year 2020 Publication Nature Communications Abbreviated Journal Nat Commun  
  Volume 11 Issue 1 Pages 1248  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract Many phase transformations associated with solid-state precipitation look structurally simple, yet, inexplicably, take place with great difficulty. A classic case of difficult phase transformations is the nucleation of strengthening precipitates in high-strength lightweight aluminium alloys. Here, using a combination of atomic-scale imaging, simulations and classical nucleation theory calculations, we investigate the nucleation of the strengthening phase theta' onto a template structure in the aluminium-copper alloy system. We show that this transformation can be promoted in samples exhibiting at least one nanoscale dimension, with extremely high nucleation rates for the strengthening phase as well as for an unexpected phase. This template-directed solid-state nucleation pathway is enabled by the large influx of surface vacancies that results from heating a nanoscale solid. Template-directed nucleation is replicated in a bulk alloy as well as under electron irradiation, implying that this difficult transformation can be facilitated under the general condition of sustained excess vacancy concentrations.  
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  Language Wos 000549162600025 Publication Date 2020-03-06  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2041-1723 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 16.6 Times cited 5 Open Access OpenAccess  
  Notes (down) ; The authors are indebted to Matthew Weyland for his expert advice on aberrationcorrected scanning transmission electron microscopy. L.B. would like to acknowledge initial discussions with B.C. Muddle and J.F. Nie many years ago regarding the possible thermodynamic role of vacancies in solid-state precipitation. The authors acknowledge funding from the Australian Research Council (LE0454166, LE110100223), the Victorian State Government and Monash University for instrumentation, and use of the facilities within the Monash Centre for Electron Microscopy. The authors thank Flame Burgmann, Dougal McCulloch and Edwin Mayes for access to and assistance at the Microscopy and Microanalysis Facility at RMIT University. L.B. and N.M. acknowledge the financial support of the Australian Research Council (DP150100558). Authors also gratefully acknowledge the computational support from MonARCH, MASSIVE and the National Computing Infrastructure and Pawsey Supercomputing Centre. ZZ and YZ are thankful to Monash University for a Monash Graduate Scholarship, a Monash International Postgraduate Research Scholarship. Z.Z. is grateful for a Monash Centre for Electron Microscopy Postgraduate Scholarship. The authors are grateful to Anita Hill for advice. ; Approved Most recent IF: 16.6; 2020 IF: 12.124  
  Call Number UA @ admin @ c:irua:170797 Serial 6635  
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Author Michel, K.H.; Verberck, B. url  doi
openurl 
  Title Theory of rigid-plane phonon modes in layered crystals Type A1 Journal article
  Year 2012 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 85 Issue 9 Pages 094303-094303,11  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract The lattice dynamics of low-frequency rigid-plane modes in metallic (graphene multilayers, GML) and in insulating (hexagonal boron-nitride multilayers, BNML) layered crystals is investigated. The frequencies of shearing and compression (stretching) modes depend on the layer number N and are presented in the form of fan diagrams. The results for GML and BNML are very similar. In both cases, only the interactions (van der Waals and Coulomb) between nearest-neighbor planes are effective, while the interactions between more distant planes are screened. A comparison with recent Raman scattering results on low-frequency shear modes in GML [Tan et al., Nat. Mater., in press, doi: 10.1038/nmat3245, (2012)] is made. Relations with the low-lying rigid-plane phonon dispersions in the bulk materials are established. Master curves, which connect the fan diagram frequencies for any given N, are derived. Static and dynamic thermal correlation functions for rigid-layer shear and compression modes are calculated. The results might be of use for the interpretation of friction force experiments on multilayer crystals.  
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  Language Wos 000301646000006 Publication Date 2012-03-19  
  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 38 Open Access  
  Notes (down) ; The authors are indebted to J. Maultzsch for bringing Ref. 20 to their attention. They thank D. Lamoen, F.M. Peeters, B. Trauzettel, and C. Van Haesendonck for useful discussions. This work has been financially supported by the Research Foundation Flanders (FWO). ; Approved Most recent IF: 3.836; 2012 IF: 3.767  
  Call Number UA @ lucian @ c:irua:97787 Serial 3619  
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Author Mikhailova, D.; Kuratieva, N.N.; Utsumi, Y.; Tsirlin, A.A.; Abakumov, A.M.; Schmidt, M.; Oswald, S.; Fuess, H.; Ehrenberg, H. doi  openurl
  Title Composition-dependent charge transfer and phase separation in the V1-xRexO2 solid solution Type A1 Journal article
  Year 2017 Publication Journal of the Chemical Society : Dalton transactions Abbreviated Journal  
  Volume 46 Issue 5 Pages 1606-1617  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract The substitution of vanadium in vanadium dioxide VO2 influences the critical temperatures of structural and metal-to-insulator transitions in different ways depending on the valence of the dopant. Rhenium adopts valence states between + 4 and + 7 in an octahedral oxygen surrounding and is particularly interesting in this context. Structural investigation of V1-xRexO2 solid solutions (0.01 <= x <= 0.30) between 80 and 1200 K using synchrotron X-ray powder diffraction revealed only two polymorphs that resemble VO2: the low-temperature monoclinic MoO2-type form (space group P2(1)/c), and the tetragonal rutile-like form (space group P4(2)/mnm). However, for compositions with 0.03 < x <= 0.15 a phase separation in the solid solution was observed below 1000 K upon cooling down from 1200 K, giving rise to two isostructural phases with slightly different lattice parameters. This is reflected in the appearance of two metal-toinsulator transition temperatures detected by magnetization and specific heat measurements. Comprehensive X-ray photoelectron spectroscopy studies showed that an increased amount of Re leads to a change in the Re valence state from solely Re6+ at a low doping level (<= 3 at% Re) via mixed-valence states Re4+/Re6+ for at least 0.03 < x <= 0.10, up to nearly pure Re4+ in V0.70Re0.30O2. Thus, compositions V1-xRexO2 with only one valence state of Re in the material (Re6+ or Re4+) can be obtained as a single phase, while intermediate compositions are subjected to a phase separation, presumably due to different valence states of Re.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication London Editor  
  Language Wos 000395442700030 Publication Date 2016-12-24  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0300-9246; 1477-9226; 1472-7773 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 4.029 Times cited 1 Open Access Not_Open_Access  
  Notes (down) ; The authors are indebted to Dr G. Auffermann (Max Planck Institute for Chemical Physics of Solids, Dresden, Germany) for performing the ICP-OES analyses. This research has received a partial funding from the BMBF, project grant number 03SF0477B (DESIREE). AT acknowledges financial support from Federal Ministry for Education and Research under Sofja Kovalevksaya Award of Alexander von Humboldt Foundation. AMA is grateful to the Russian Science Foundation (grant 14-13-00680) for financial support. ; Approved Most recent IF: NA  
  Call Number UA @ lucian @ c:irua:142580 Serial 4642  
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Author Pilehvar, S.; Gielkens, K.; Trashin, S.A.; Dardenne, F.; Blust, R.; De Wael, K. url  doi
openurl 
  Title (Electro)sensing of phenicol antibiotics : a review Type A1 Journal article
  Year 2016 Publication Critical reviews in food science and nutrition Abbreviated Journal Crit Rev Food Sci  
  Volume 56 Issue 14 Pages 2416-2429  
  Keywords A1 Journal article; Pharmacology. Therapy; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)  
  Abstract The presence of residues from frequent antibiotic use in animal feed can cause serious health risks by contaminating products for human consumption such as meat and milk. The present article gives an overview of the electrochemical methods developed for the detection of phenicol antibiotic residues (chloramphenicol, thiamphenicol, and florfenicol) in different kinds of foodstuffs. Electrochemical sensors based on different biomolecules and nanomaterials are described. The detection limit of various developed methods with their advantages and disadvantage will be highlighted.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000382757200015 Publication Date 2015-04-02  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1040-8398 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 6.077 Times cited 13 Open Access  
  Notes (down) ; The authors are highly thankful for the University of Antwerp Grants (DOCPRO/ IWS). ; Approved Most recent IF: 6.077  
  Call Number UA @ admin @ c:irua:125663 Serial 5585  
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Author Rather, J.A.; Pilehvar, S.; De Wael, K. doi  openurl
  Title A biosensor fabricated by incorporation of a redox mediator into a carbon nanotube/nafion composite for tyrosinase immobilization : detection of matairesinol, an endocrine disruptor Type A1 Journal article
  Year 2013 Publication The analyst Abbreviated Journal Analyst  
  Volume 238 Issue Pages 204-210  
  Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)  
  Abstract An electrochemical matairesinol biosensor was fabricated by immobilizing tyrosinase on a poly(thionine)/nafion/multi-walled carbon nanotube composite film. A polymeric film of the redox dye thionine enables the stable immobilization of tyrosinase while acting as a mediator for the enzymatic process has been incorporated into the carbon nanotube/nafion composite film. The immobilization method is based on crosslinking of the tyrosinase layer with an electropolymerized film of poly(thionine). The good homogenization of the electron conductor CNTs in the integrated films provides the possibility of a three-dimensional electron conductive network. The biosensor was characterized by electrochemical impedance spectroscopy and electrochemical characterization. The composite electrode exhibits catalytic activity, high sensitivity, stability and is applicable over a wide range of concentrations from 180 nM to 4.33 μM with a detection limit (LOD) of 37 nM. The obtained results suggest that the developed sensor can be successfully used for the determination of phenolic endocrine disruptors over a concentration range covering their environmental levels.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000311823200025 Publication Date 2012-10-26  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0003-2654 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.885 Times cited 23 Open Access  
  Notes (down) ; The authors are highly thankful for the mobility grant (Non-Europe Postdoc Fellowship) for one of the authors (Jahangir Ahmad Rather) supported by the Belgian Federal Science Policy (Belspo) co-funded by the Marie Curie Actions from the European Commission. ; Approved Most recent IF: 3.885; 2013 IF: 3.906  
  Call Number UA @ admin @ c:irua:101648 Serial 5490  
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Author Rather, J.A.; De Wael, K. pdf  doi
openurl 
  Title C60-functionalized MWCNT based sensor for sensitive detection of endocrine disruptor vinclozolin in solubilized system and wastewater Type A1 Journal article
  Year 2012 Publication Sensors and actuators : B : chemical Abbreviated Journal Sensor Actuat B-Chem  
  Volume 171/172 Issue Pages 907-915  
  Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)  
  Abstract A novel fullerene (C60) functionalized multi-walled carbon nanotubes (MWCNTs) fabricated electrochemical sensor was developed for the sensitive determination of the endocrine disruptor vinclozolin in a solubilized system of cetyltrimethyl ammonium bromide (CTAB). The home-made sensor was characterized by scanning electron microscopy and electrochemical impedance spectroscopy. It was found that the nanocomposite film of C60MWCNTs on GCE exhibits electrocatalytic activity towards vinclozolin reduction and also lowers the reduction overpotential. The influence of the optimization parameters such as pH, effect of CTAB concentration and effect of loading of composite mixture of C60 and MWCNTs on the analytical performance of the sensor was evaluated. Various kinetic parameters such as electron transfer number (n), proton transfer number (m), charge transfer coefficient (α) and diffusion coefficient (D) were also calculated. Under optimized conditions, the squarewave reduction peak current was linear over the concentration range of 2.548.75 μM with the detection and quantification limit of 0.091 μM and 0.3 μM respectively. The fabricated sensor was successfully applied to the detection of vinclozolin in wastewater with good recovery ranging from 97.6 to 103.6%.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000308572700120 Publication Date 2012-06-09  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0925-4005 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 5.401 Times cited 26 Open Access  
  Notes (down) ; The authors are highly thankful for the mobility grant (Non-Europe Postdoc Fellowship) for one of the authors (Jahangir Ahmad Rather) supported by the Belgian Federal Science Policy (Belspo) co-funded by the Marie Curie Actions from the European Commission. ; Approved Most recent IF: 5.401; 2012 IF: 3.535  
  Call Number UA @ admin @ c:irua:100576 Serial 5870  
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Author Rather, J.A.; Pilehvar, S.; De Wael, K. pdf  doi
openurl 
  Title A graphene oxide amplification platform tagged with tyrosinase-zinc oxide quantum dot hybrids for the electrochemical sensing of hydroxylated polychlorobiphenyls Type A1 Journal article
  Year 2014 Publication Sensors and actuators : B : chemical Abbreviated Journal Sensor Actuat B-Chem  
  Volume 190 Issue Pages 612-620  
  Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)  
  Abstract Graphene oxide can act as an amplification platform for the immobilization of a hybrid structure composed of tyrosinase (Tyr) and zinc oxide quantum dots (ZnO QDs). This article describes how this platform increases the sensitivity for the detection of hydroxylated polychlorobiphenyls (OH-PCBs). The adsorption of Tyr (with low isoelectric point) on the positively charged surface of ZnO QDs is based on electrostatic interactions. The scanning electron microscopic images and UVvis spectroscopic analysis demonstrated the adsorption of Tyr on ZnO QDs. The stepwise assembly process of the fabricated biosensor was characterized by cyclic voltammetry and electrochemical impedance spectroscopy. The synthesized ZnO QDs and graphene oxide were characterized by Raman spectroscopy, infrared spectroscopy, X-ray diffraction and scanning electron microscopic techniques. The determination of OH-PCBs was carried out by using square wave voltammetry over the concentration range of 2.827.65 μM with a detection limit of 0.15 μM with good reproducibility, selectivity and acceptable stability. The high value of surface coverage of ZnO QDs and small value of MichaelisMenten constant (View the MathML source) confirmed an excellent loading of the Tyr and a high affinity of the biosensor toward the detection of OH-PCBs. This biosensor and the described sensing platform offer a great potential for rapid, cost-effective and on-field analysis of OH-PCBs.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000326687700082 Publication Date 2013-09-14  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0925-4005 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 5.401 Times cited 26 Open Access  
  Notes (down) ; The authors are highly thankful for the mobility grant (Non-Europe Postdoc Fellowship) for one of the author (Jahangir Ahmad Rather) supported by the Belgian Federal Science Policy (Belspo) co-funded by the Marie Curie Actions from the European Commission. Sanaz Pilehvar is funded by BOF-DOCPRO UA. We are also thankful to the EMAT (Electron Microscopy for Materials Science) group and Laboratory of adsorption and catalysis group of the University of Antwerp for the XRD, Raman and FTIR characterization of samples (GO and ZnO QDs). ; Approved Most recent IF: 5.401; 2014 IF: 4.097  
  Call Number UA @ admin @ c:irua:110566 Serial 5636  
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Author Rather, J.A.; Pilehvar, S.; De Wael, K. pdf  doi
openurl 
  Title Polycyclodextrin and carbon nanotubes as composite for tyrosinase immobilization and its superior electrocatalytic activity towards butylparaben an endocrine disruptor Type A1 Journal article
  Year 2015 Publication Journal of nanoscience and nanotechnology Abbreviated Journal  
  Volume 15 Issue 5 Pages 3365-3372  
  Keywords A1 Journal article; Engineering sciences. Technology; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)  
  Abstract We developed a protocol for the immobilization of tyrosinase (Tyr) on the composite of polycyclodextrin polymer (CDP) and carbon nanotubes for the detection of an endocrine disruptor, i.e., butylparaben (BP). The formation of the CDP polymer was characterized by UV-Vis spectrophotometry. The conducting film of cross-linked CDP and carbon nanotubes, displays excellent matrix capabilities for Tyr immobilization. The host-guest chemical reaction ability of CD and the ππ stacking interaction assure the bioactivity of Tyr towards butylparaben. The developed biosensor was characterized electrochemically by electrochemical impedance spectroscopy. The enzyme-substrate kinetic parameters such as the apparent Michaelis-Menten constant (K M app) was measured under saturated substrate concentration. The determination of butylparaben was carried out by using square wave voltammetry over the concentration range of 2.1 to 35.4 μM with a detection limit of 0.1 μM. The fabricated biosensor was successfully applied in real-life cosmetic samples with good recovery ranging from 98.5 to 102.8%.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000347435200007 Publication Date 2014-10-01  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1533-4899 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor Times cited 3 Open Access  
  Notes (down) ; The authors are highly thankful for the mobility grant (Non-Europe Postdoc Fellowship) for one of the author (Jahangir Ahmad Rather) supported by the Belgian Federal Science Policy (Belspo) co-funded by the Marie Curie Actions from the European Commission. Sanaz Pilehvar is funded by BOF-DOCPRO UA. ; Approved Most recent IF: NA  
  Call Number UA @ admin @ c:irua:119550 Serial 5776  
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Author Rather, J.A.; De Wael, K. pdf  doi
openurl 
  Title Fullerene-C60 sensor for ultra-high sensitive detection of bisphenol-A and its treatment by green technology Type A1 Journal article
  Year 2013 Publication Sensors and actuators : B : chemical Abbreviated Journal Sensor Actuat B-Chem  
  Volume 176 Issue Pages 110-117  
  Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)  
  Abstract Endocrine disruptors (EDCs) are environmental pollutants that, once incorporated into an organism, affect the hormonal balance of humans and various species. Its presence in environment is of great importance in water quality related questions. The proposed method describes the development of an accurate, sensitive and selective sensor for the detection of bisphenol-A (BPA) and its treatment by green technology. A fullerene (C60) fabricated electrochemical sensor was developed for the ultrasensitive detection of BPA. The homemade sensor was characterized by scanning electron microscopy, electrochemical impedance spectroscopy and chronocoulometry. The influence of measuring parameters such as pH and C60 loading on the analytical performance of the sensor was evaluated. Various kinetic parameters such as electron transfer number (n); charge transfer coefficient (α); electrode surface area (A) and diffusion coefficient (D) were also calculated. Under the optimal conditions, the oxidation peak current was linear over the concentration range of 74 nM to 0.23 μM with the detection limit (LOD) of 3.7 nM. The fabricated sensor was successfully applied to the determination of BPA in wastewater samples and it has promising analytical applications for the direct determination of BPA at trace level.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000319867500017 Publication Date 2012-09-07  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0925-4005 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 5.401 Times cited 79 Open Access  
  Notes (down) ; The authors are highly thankful for the mobility grant (Non-Europe Postdoc Fellowship) for one of the author (Jahangir Ahmad Rather) supported by the Belgian Federal Science Policy (Belspo) co-funded by the Marie Curie Actions from the European Commission. ; Approved Most recent IF: 5.401; 2013 IF: 3.840  
  Call Number UA @ admin @ c:irua:101055 Serial 5630  
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Author Harth, A.; van der Snickt, G.; Schalm, O.; Janssens, K.; Blanckaert, G. url  doi
openurl 
  Title The young Van Dyck's fingerprint : a technical approach to assess the authenticity of a disputed painting Type A1 Journal article
  Year 2017 Publication Heritage science Abbreviated Journal  
  Volume 5 Issue Pages 22-13  
  Keywords A1 Journal article; Art; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Antwerp Cultural Heritage Sciences (ARCHES)  
  Abstract The painting Saint Jerome, part of the collection of the Maagdenhuis Museum (Antwerp, Belgium), is attributed to the young Anthony van Dyck (1613-1621) with reservations. The painting displays remarkable compositional and iconographic similarities with two early Van Dyck works (1618-1620) now in Museum Boijmans van Beuningen (Rotterdam) and Nationalmuseum (Stockholm). Despite these similarities, previous art historical research did not result in a clear attribution to this master. In this study, the works authenticity as a young Van Dyck painting was assessed from a technical perspective by employing a twofold approach. First, technical information on Van Dycks materials and techniques, here identified as his fingerprint, were defined based on a literature review. Second, the materials and techniques of the questioned Saint Jerome painting were characterized by using complementary imaging techniques: infrared reflectography, X-ray radiography and macro X-ray fluorescence scanning. The insights from this non-invasive research were supplemented with analysis of a limited number of cross-sections by means of field emission scanning electron microscopy coupled with energy dispersive X-ray spectroscopy. The results demonstrated that the questioned paintings materials and techniques deviate from Van Dycks fingerprint, thus making the authorship of this master very unlikely.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000403971300001 Publication Date 2017-05-12  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2050-7445 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor Times cited 1 Open Access  
  Notes (down) ; The authors are grateful to the staff of the Maagdenhuis Museum Antwerp, especially to Daniel Christiaens and Rudi van Velthoven, for their cooperation and enthusiastic support. Prof. Em. Claudine A. Chavannes-Mazel and Ph. D. student Alice Taatgen (University of Amsterdam) are acknowledged for the IRR recordings. We also would like to acknowledge Dr. Christina Currie (KIK/IRPA) and Catherine Fondaire (KIK/IRPA) for the XRR, and Eva Grieten (EMAT, University of Antwerp) for the FE-SEM-EDX. Finally, the authors wish to thank Prof. Dr. Katlijne van der Stighelen (University of Leuven) and Prof. Dr. Maximilaan Martens (Ghent University) for their art historical insights and additional comments. This research was supported by the Baillet Latour fund and Research Foundation Flanders (FWO). ; Approved Most recent IF: NA  
  Call Number UA @ admin @ c:irua:143633 Serial 5923  
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Author Ceglia, A.; Nuyts, G.; Cagno, S.; Meulebroeck, W.; Baert, K.; Cosyns, P.; Nys, K.; Thienpont, H.; Janssens, K.; Terryn, H. doi  openurl
  Title A XANES study of chromophores : the case of black glass Type A1 Journal article
  Year 2014 Publication Analytical methods Abbreviated Journal Anal Methods-Uk  
  Volume 6 Issue 8 Pages 2662-2671  
  Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)  
  Abstract We studied the Fe K-edge X-ray absorption near edge (XANES) spectra of several Roman black glass fragments in order to determine the Fe3+/ΣFe ratio of these materials. The selected archaeological glass samples cover the period 1st5th century AD in nine different sites of the North Western provinces of the Roman Empire. The fragments belong to two different compositional groups demonstrating a diachronic evolution: early Roman HMG (High Magnesia Glass) and Roman Imperial LMG (Low Magnesia Glass). The first group contains natural Fe levels (below 2 wt% as Fe2O3), while the LMG has concentrations above 5 wt%. This difference is also reflected by Fe3+/ΣFe values. Low iron glass was produced under strongly reducing conditions in order to obtain the black colour, with average Fe3+/ΣFe values ≈ 0.17. LMG glass is somewhat more oxidised (Fe3+/ΣFe ≈ 0.40.5). While HMG glass required active control of the furnace environment, LMG was made under ambient atmosphere and its higher oxidation degree is mainly determined by the chemistry of the raw glass.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000333524200032 Publication Date 2014-02-05  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1759-9660 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.9 Times cited 14 Open Access  
  Notes (down) ; The authors are grateful to the staff of beamline L in HASYLAB for their helpful support. The research leading to these results has received funding from the European Union Seventh Framework Programme FP7/2007-2013 under grant agreement no. 265010. Support from the University of Antwerp Research Council through GOA Programme “XANES meets ELNES” is gratefully acknowledged. This work was partly supported by the Research Council of Norway through its Centres of Excellence funding scheme, project number 223268/F50. We would like to thank M. P. Riccardi and E. Basso of the University of Pavia and R. Falcone of the Stazione Sperimentale del Vetro who provided us with the reference glasses. ; Approved Most recent IF: 1.9; 2014 IF: 1.821  
  Call Number UA @ admin @ c:irua:116596 Serial 5919  
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Author Ouwehand, J.; Van Eynde, E.; De Canck, E.; Lenaerts, S.; Verberckmoes, A.; Van der Voort, P. pdf  url
doi  openurl
  Title Titania-functionalized diatom frustules as photocatalyst for indoor air purification Type A1 Journal article
  Year 2018 Publication Applied catalysis : B : environmental Abbreviated Journal Appl Catal B-Environ  
  Volume 226 Issue 226 Pages 303-310  
  Keywords A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL)  
  Abstract Diatom frustules were extracted from the species Thalassiosira pseudonana and functionalized with titania to be used as photocatalysts in the abatement of acetaldehyde. The synthetic procedure is water-based and environmentally friendly. The synthesis parameters were optimized to give the highest possible photocatalytic activity. The optimized material, visualized with TEM and STEM-EDX, shows the TiO2 nanoparticles grafted inside the frustule pores, as well as on the silica surface. The titania particles, stabilized by the frustules, are 2.5 times more active than the P25 benchmark material. The photocatalyst is then tested in conditions of elevated relative humidity, to simulate indoor air. The catalytic activity only shows a minor decrease at 50% relative humidity, which is a better result than for the P25 benchmark. When tested over an extended period of time, the photocatalyst only shows a minor decrease in activity.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000425476800033 Publication Date 2017-12-26  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0926-3373 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 9.446 Times cited 4 Open Access  
  Notes (down) ; The authors are grateful to the Flemish government (VLAIO) for providing funding through grant number 150663. The Thalassiosira Pseudonana algae were kindly provided by TomAlgae. The authors thank Katrien Haustraete, Sander Clerick and Funda Alic for performing TEM and STEM-EDX, SEM and CHN analyses, respectively, and Isabelle Ascoop for fruitful discussions. ; Approved Most recent IF: 9.446  
  Call Number UA @ admin @ c:irua:149836 Serial 5999  
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Author Zhou, Y.; Ramaneti, R.; Anaya, J.; Korneychuk, S.; Derluyn, J.; Sun, H.; Pomeroy, J.; Verbeeck, J.; Haenen, K.; Kuball, M. doi  openurl
  Title Thermal characterization of polycrystalline diamond thin film heat spreaders grown on GaN HEMTs Type A1 Journal article
  Year 2017 Publication Applied physics letters Abbreviated Journal Appl Phys Lett  
  Volume 111 Issue 4 Pages 041901  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract Polycrystalline diamond (PCD) was grown onto high-k dielectric passivated AlGaN/GaN-on-Si high electron mobility transistor (HEMT) structures, with film thicknesses ranging from 155 to 1000 nm. Transient thermoreflectance results were combined with device thermal simulations to investigate the heat spreading benefit of the diamond layer. The observed thermal conductivity (k(Dia)) of PCD films is one-to-two orders of magnitude lower than that of bulk PCD and exhibits a strong layer thickness dependence, which is attributed to the grain size evolution. The films exhibit a weak temperature dependence of k(Dia) in the measured 25-225 degrees C range. Device simulation using the experimental jDia and thermal boundary resistance values predicts at best a 15% reduction in peak temperature when the source-drain opening of a passivated AlGaN/GaN-on-Si HEMT is overgrown with PCD. Published by AIP Publishing.  
  Address  
  Corporate Author Thesis  
  Publisher American Institute of Physics Place of Publication New York, N.Y. Editor  
  Language Wos 000406779700008 Publication Date 2017-07-24  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0003-6951; 1077-3118 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.411 Times cited 78 Open Access Not_Open_Access  
  Notes (down) ; The authors are grateful to Professor Michael Uren and Dr. Roland B. Simon (University of Bristol) for helpful discussions and to Dr. Sien Drijkoningen (Hasselt University) for taking the SEM micrographs. This work was in part supported by DARPA under Contract No. FA8650-15-C-7517, monitored by Dr. Avram Bar Cohen and Dr. John Blevins, and supported by Dr. Joseph Maurer and Dr. Abirami Sivananthan. Any opinions, findings, and conclusions or recommendations expressed in this material are those of the authors and do not necessarily reflect the views of DARPA. Y.Z. acknowledges China Scholarship Council for the financial support. S.K. and J.V. acknowledge the FWO-Vlaanderen for financial support under contract G.0044.13N “Charge ordering.” ; Approved Most recent IF: 3.411  
  Call Number UA @ lucian @ c:irua:145203 Serial 4728  
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Author Ben Abdallah, M.A.; Bacchi, A.; Parisini, A.; Canossa, S.; Bergamonti, L.; Balestri, D.; Kamoun, S. pdf  url
doi  openurl
  Title Crystal structure, vibrational, electrical, optical and DFT study of C₂H₁0N₂(IO₃)₂.HIO₃ Type A1 Journal article
  Year 2020 Publication Journal Of Molecular Structure Abbreviated Journal J Mol Struct  
  Volume 1215 Issue Pages 128254-12  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract The reinvestigation of the EDA-HIO3-H2O system using a different stoichiometric ratio gives rise to a new iodate salt C2H10N2(IO3)(2 center dot)HIO3 denoted as EBIMIA. In this study, we reported the structural properties of ethylenediammonium bis iodate mono iodic acid using X-ray powder and single crystal diffraction at room temperature. The Hirshfeld and the potential energy surface analysis reveal that I center dot center dot center dot O and N-H center dot center dot center dot O are the most noticeable interactions that took place inside the crystal and contribute to the cohesion and stability of the synthesized compound. The DSC measurement shows that this iodate salt undergoes two structural phase transitions, the first occurs at T = 290 K while the second occurs at T = 363 K. However, the dielectric analysis confirms only the second transition because it lies in the studied temperature domain 338-413K. Besides, the impedance data obey a circuit model consisting of a parallel combination of a bulk resistance and CPE. The frequency dispersion of the conductivity follows Jonscher's law and the charge carrier transport may be interpreted using the correlation barrier hopping mechanism (CBH). Finally, the electronic properties and the vibrational analysis of this novel iodate salt are studied using DFT and compared to the experimental data given by the FT-IR, Raman and UV-visible spectroscopies. (C) 2020 Elsevier B.V. All rights reserved.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000537221300012 Publication Date 2020-04-16  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0022-2860 ISBN Additional Links UA library record; WoS full record  
  Impact Factor 3.8 Times cited Open Access OpenAccess  
  Notes (down) ; The authors are grateful to Pr. Giovani Predieri, Pr. Pier Paolo Lottici, and Pr. Danilo Bersani, for their help with the vibrational measurement. Moreover, authors wish to thank, Pr. Salvatore Vantaggio and Dr. Silvio Scaravonati for their contribution in carrying out the impedance spectroscopy measurements. The authors acknowledge also the Analytical Chemistry, Cultural Heritage, Inorganic Chemistry and Crystallography Unit (SCVSA department, university of Parma, Italy) and the Tunisian Ministry of Higher Education and Scientific Research (LR11ES46) for their support. ; Approved Most recent IF: 3.8; 2020 IF: 1.753  
  Call Number UA @ admin @ c:irua:170148 Serial 6480  
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Author Asfora, V.K.; Bueno, C.C.; de Barros, V.M.; Khoury, H.; Van Grieken, R. pdf  doi
openurl 
  Title X-ray spectrometry applied for characterization of bricks of Brazilian historical sites Type A1 Journal article
  Year 2020 Publication X-Ray Spectrometry Abbreviated Journal X-Ray Spectrom  
  Volume Issue Pages 1-8  
  Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)  
  Abstract This paper presents the results of X-ray fluorescence (XRF) analysis of bricks sampled from historical places in Pernambuco, a state in the northeastern region of Brazil. In this study, twenty bricks found in historical sites were analyzed. Two bricks made in the 17th century, presumably used as ballast in ships coming from Holland, five locally manufactured bricks: one from 18th century, three from 19th century, and one from 20th century, and thirteen bricks collected from a recent Archeological investigation of Alto da Se, in the town of Olinda. Qualitative determination of the chemical elements present in the samples was undertaken using a self-assembled portable XRF system based on a compact X-ray tube and a thermoelectrically cooled Si-PIN photodiode system, both commercially available. X-ray diffraction analysis was also carried out to assess the crystalline mineral phases present in the bricks. The results showed that quartz (SiO2) is the major mineral content in all bricks. Although less expressive in the XRD patterns, mineral phases of illite, kaolinite, anorthite, and rutile are also identified. The trace element distribution patterns of the bricks, determined by the XRF technique, is dominated by Fe and, in decreasing order, by K, Ti, Ca, Mn, Zr, Rb, Sr, Cr, and Y with slight differences among them. Analyses of the chemical compositional features of the bricks, evaluated by principal component analysis of the XRF datasets, allowed the samples to be grouped into five clusters with similar chemical composition. These cluster groups were able to identify both age and manufacturing sites. Dutch bricks prepared with different geological clays compositions were defined.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000568830300001 Publication Date 2020-09-17  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0049-8246 ISBN Additional Links UA library record; WoS full record  
  Impact Factor 1.2 Times cited Open Access  
  Notes (down) ; The authors are grateful to CNPQ (Process: 305903/2011-0 and 407458/2013-1) for providing funds to carry out the present work and for supporting a visitor professor to UFPE through the program science without frontier. The authors also thank Mr. Roberto Araujo from the Center of Advanced Studies on Integrated Environmental Protection-CECI that made available the bricks to be analyzed. ; Approved Most recent IF: 1.2; 2020 IF: 1.298  
  Call Number UA @ admin @ c:irua:171960 Serial 6654  
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Author Lipavsky, P.; Elmurodov, A.; Lin, P.-J.; Matlock, P.; Berdiyorov, G.R. url  doi
openurl 
  Title Effect of normal current corrections on the vortex dynamics in type-II superconductors Type A1 Journal article
  Year 2012 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 86 Issue 14 Pages 144516-144518  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Within the time-dependent Ginzburg-Landau theory we discuss the effect of nonmagnetic interactions between the normal current and supercurrent in the presence of electric and magnetic fields. The correction due to the current-current interactions is shown to have a transient character so that it contributes only when a system evolves. Numerical studies for thin current-carrying superconducting strips with no magnetic feedback show that the effect of the normal current corrections is more pronounced in the resistive state where fast-moving kinematic vortices are formed. Simulations also reveal that the largest contribution due to current-current interactions appears near the sample edges, where the vortices reach their maximal velocity.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000309809700007 Publication Date 2012-10-15  
  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 4 Open Access  
  Notes (down) ; The authors are grateful to Alex Gurevich and Tom Lemberger who brought the longitudinal f-sum rule to our attention. This work was supported by Grants GACR P204/10/0687 and P204/11/0015. We also acknowledge the support from the Flemish Science Foundation (FWO-Vl) and the Belgian Science Policy (IAP). G.R.B. acknowledges individual support from FWO-Vl. P.-J.L. acknowledges support from Old Dominion University. P.M. acknowledges support through UA research index SR-614-1203. ; Approved Most recent IF: 3.836; 2012 IF: 3.767  
  Call Number UA @ lucian @ c:irua:102168 Serial 827  
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Author Zhang, L.; Zhang, Y.-Y.; Zha, G.-Q.; Milošević, M.V.; Zhou, S.-P. url  doi
openurl 
  Title Skyrmionic chains and lattices in s plus id superconductors Type A1 Journal article
  Year 2020 Publication Physical Review B Abbreviated Journal Phys Rev B  
  Volume 101 Issue 6 Pages 064501  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract We report characteristic vortex configurations in s + id superconductors with time-reversal symmetry breaking, exposed to magnetic field. A vortex in the s + id state tends to have an opposite phase winding between s- and d-wave condensates. We find that this peculiar feature together with the competition between s- and d-wave symmetry results in three distinct classes of vortical configurations. When either s or d condensate absolutely dominates, vortices form a conventional lattice. However, when one condensate is relatively dominant, vortices organize in chains that exhibit skyrmionic character, separating the chiral components of the s +/- id order parameter into domains within and outside the chain. Such skyrmionic chains are found stable even at high magnetic field. When s and d condensates have comparable strength, vortices split cores in two chiral components to form full-fledged skyrmions, i.e., coreless topological structures with an integer topological charge, organized in a lattice. We provide characteristic magnetic field distributions of all states, enabling their identification in, e.g., scanning Hall probe and scanning SQUID experiments. These unique vortex states are relevant for high-T-c cuprate and iron-based superconductors, where the relative strength of competing pairing symmetries is expected to be tuned by temperature and/or doping level, and can help distinguish s + is and s + id superconducting phases.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000510745600005 Publication Date 2020-02-03  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2469-9969; 2469-9950 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.7 Times cited 7 Open Access  
  Notes (down) ; The authors acknowledge useful discussions with Yong-Ping Zhang. This research was supported by the National Natural Science Foundation of China under Grants No. 61571277 and No. 61771298. L.-F.Z. and M.V.M. acknowledge support from Research Foundation-Flanders (FWO-Vlaanderen). ; Approved Most recent IF: 3.7; 2020 IF: 3.836  
  Call Number UA @ admin @ c:irua:166507 Serial 6605  
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Author Michel, K.H.; Neek-Amal, M.; Peeters, F.M. pdf  doi
openurl 
  Title Static flexural modes and piezoelectricity in 2D and layered crystals Type A1 Journal article
  Year 2016 Publication Physica status solidi: B: basic research Abbreviated Journal Phys Status Solidi B  
  Volume 253 Issue 253 Pages 2311-2315  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Piezo- and flexoelectricity are manifestations of electromechanical coupling in solids with potential applications in nanoscale materials. Naumov etal. [Phys. Rev. Lett. 102, 217601 (2009)] have shown by first principles calculations that a monolayer BN sheet becomes macroscopically polarized in-plane when in a corrugated state. Here, we investigate the interplay of layer corrugation and in-plane polarization by atomistic lattice dynamics. We treat the coupling between static flexural modes and in-plane atomic ion displacements as an anharmonic effect, similar to the membrane effect that is at the origin of negative thermal expansion in layered crystals. We have derived analytical expressions for the corrugation-induced static in-plane strains and the optical displacements with the resulting polarization response functions. Beyond h-BN, the theory applies to transition metal dichalcogenides and dioxides. Numerical calculations show that the effects are considerably stronger for 2D h-BN than for 2H-MoS2.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Berlin Editor  
  Language Wos 000390339000002 Publication Date 2016-10-21  
  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 5 Open Access  
  Notes (down) ; The authors acknowledge useful discussions with L. Wirtz, A. Molina-Sanchez, and C. Sevik. This work was supported by the ESF-Eurographene project CONGRAN, and the Flemish Science Foundation (FWO-Vl). ; Approved Most recent IF: 1.674  
  Call Number UA @ lucian @ c:irua:140309 Serial 4462  
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Author Michel, K.H.; Çakir, D.; Sevik, C.; Peeters, F.M. url  doi
openurl 
  Title Piezoelectricity in two-dimensional materials : comparative study between lattice dynamics and ab initio calculations Type A1 Journal article
  Year 2017 Publication Physical review B Abbreviated Journal Phys Rev B  
  Volume 95 Issue 95 Pages 125415  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract The elastic constant C-11 and piezoelectric stress constant e(1),(11) of two-dimensional (2D) dielectric materials comprising h-BN, 2H-MoS2, and other transition-metal dichalcogenides and dioxides are calculated using lattice dynamical theory. The results are compared with corresponding quantities obtained with ab initio calculations. We identify the difference between clamped-ion and relaxed-ion contributions with the dependence on inner strains which are due to the relative displacements of the ions in the unit cell. Lattice dynamics allows us to express the inner-strain contributions in terms of microscopic quantities such as effective ionic charges and optoacoustical couplings, which allows us to clarify differences in the piezoelectric behavior between h-BN and MoS2. Trends in the different microscopic quantities as functions of atomic composition are discussed.  
  Address  
  Corporate Author Thesis  
  Publisher American Physical Society Place of Publication New York, N.Y Editor  
  Language Wos 000396013400005 Publication Date 2017-03-11  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2469-9969; 2469-9950 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.836 Times cited 29 Open Access  
  Notes (down) ; The authors acknowledge useful discussions with L. Wirtz and A. Molina-Sanchez. This work was supported by the Methusalem program and the Fonds voor Wetenschappelijk Onderzoek-Vlaanderen. Computational resources were provided by HPC infrastructure of the University of Antwerp (CalcUA), a division of the Flemish Supercomputer Center (VSC), which is funded by the Hercules foundation. ; Approved Most recent IF: 3.836  
  Call Number UA @ lucian @ c:irua:142444 Serial 4603  
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Author Cuypers, B.; Vermeylen, S.; Hammerschmid, D.; Trashin, S.; Rahemi, V.; Konijnenberg, A.; De Schutter, A.; Cheng, C.-H.C.; Giordano, D.; Verde, C.; De Wael, K.; Sobott, F.; Dewilde, S.; Van Doorslaer, S. pdf  doi
openurl 
  Title Antarctic fish versus human cytoglobins : the same but yet so different Type A1 Journal article
  Year 2017 Publication Journal of inorganic biochemistry Abbreviated Journal J Inorg Biochem  
  Volume 173 Issue Pages 66-78  
  Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)  
  Abstract The cytoglobins of the Antarctic fish Chaenocephalus aceratus and Dissostichus mawsoni have many features in common with human cytoglobin. These cytoglobins are heme proteins in which the ferric and ferrous forms have a characteristic hexacoordination of the heme iron, i.e. axial ligation of two endogenous histidine residues, as confirmed by electron paramagnetic resonance, resonance Raman and optical absorption spectroscopy. The combined spectroscopic analysis revealed only small variations in the heme-pocket structure, in line with the small variations observed for the redox potential. Nevertheless, some striking differences were also discovered. Resonance Raman spectroscopy showed that the stabilization of an exogenous heme ligand, such as CO, occurs differently in human cytoglobin in comparison with Antarctic fish cytoglobins. Furthermore, while it has been extensively reported that human cytoglobin is essentially monomeric and can form an intramolecular disulfide bridge that can influence the ligand binding kinetics, 3D modeling of the Antarctic fish cytoglobins indicates that the cysteine residues are too far apart to form such an intramolecular bridge. Moreover, gel filtration and mass spectrometry reveal the occurrence of non-covalent multimers (up to pentamers) in the Antarctic fish cytoglobins that are formed at low concentrations. Stabilization of these oligomers by disulfide-bridge formation is possible, but not essential. If intermolecular disulfide bridges are formed, they influence the heme-pocket structure, as is shown by EPR measurements.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000405159600007 Publication Date 2017-04-28  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0162-0134 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.348 Times cited 7 Open Access  
  Notes (down) ; The authors acknowledge the support of the University of Antwerp GOA-BOF funding (28312), FWO funding (G.0687.13) and the Hercules foundation for funding of the Synapt G2 instrument. This study was carried out in the framework of the SCAR program “Antarctic Thresholds – Ecosystem Resilience and Adaptation” (AnT-ERA). It was financially supported by the Italian National Program for Antarctic Research (PNRA). Research of A. De Schutter is funded by a PhD grant of the Agency for Innovation by Science and Technology (121339) (IWT, Belgium). C-H C. Cheng acknowledges funding support from US National Science Foundation Polar Programs (ANT-1142158). ; Approved Most recent IF: 3.348  
  Call Number UA @ admin @ c:irua:144826 Serial 5474  
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