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Author Lottini, E.; López-Ortega, A.; Bertoni, G.; Turner, S.; Meledina, M.; Van Tendeloo, G.; de Julián Fernández, C.; Sangregorio, C.
Title Strongly Exchange Coupled Core|Shell Nanoparticles with High Magnetic Anisotropy: A Strategy toward Rare-Earth-Free Permanent Magnets Type A1 Journal article
Year (down) 2016 Publication Chemistry of materials Abbreviated Journal Chem Mater
Volume 28 Issue 28 Pages 4214-4222
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Antiferromagnetic(AFM)|ferrimagnetic(FiM) core|shell (CS) nanoparticles (NPs) of formula Co0.3Fe0.7O|Co0.6Fe2.4O4 with mean diameter from 6 to 18 nm have been synthesized through a one-pot thermal decomposition process. The CS structure has been generated by topotaxial oxidation of the core region, leading to the formation of a highly monodisperse single inverted AFM|FiM CS system with variable AFM-core diameter and constant FiM-shell thickness (~2 nm). The sharp interface, the high structural matching between both phases and the good crystallinity of the AFM material have been structurally demonstrated and are corroborated by the robust exchange-coupling between AFM and FiM phases, which gives rise to one among the largest exchange bias (HE) values ever reported for CS NPs (8.6 kOe) and to a strongly enhanced coercive field (HC). In addition, the investigation of the magnetic properties as a function of the AFM-core size (dAFM), revealed a non-monotonous trend of both HC and HE, which display a maximum value for dAFM = 5 nm (19.3 and 8.6 kOe, respectively). These properties induce a huge improvement of the capability of storing energy of the material, a result which suggests that the combination of highly anisotropic AFM|FiM materials can be an efficient strategy towards the realization of novel Rare Earth-free permanent magnets.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000378973100013 Publication Date 2016-05-20
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0897-4756 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 9.466 Times cited 48 Open Access
Notes This work was supported by the EU-FP7 through NANOPYME Project (No. 310516) and Integrated Infrastructure Initiative ESTEEM2 (No. 312483). S.T. gratefully acknowledges the FWO Flanders for a post-doctoral scholarship.; esteem2_ta Approved Most recent IF: 9.466
Call Number c:irua:134084 c:irua:134084 Serial 4092
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Author Ying, J.; Hu, Z.-Y.; Yang, X.-Y.; Wei, H.; Xiao, Y.-X.; Janiak, C.; Mu, S.-C.; Tian, G.; Pan, M.; Van Tendeloo, G.; Su, B.-L.
Title High viscosity to highly dispersed PtPd bimetallic nanocrystals for enhanced catalytic activity and stability Type A1 Journal article
Year (down) 2016 Publication Chemical communications Abbreviated Journal Chem Commun
Volume 52 Issue 52 Pages 8219-8222
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract A facile high-viscosity-solvent method is presented to synthesize PtPd bimetallic nanocrystals highly dispersed in different mesostructures (2D and 3D structures), porosities (large and small pore sizes), and compositions (silica and carbon). Further, highly catalytic activity, stability and durability of the nanometals have been proven in different catalytic reactions.
Address State Key Laboratory Advanced Technology for Materials Synthesis and Processing, Wuhan University of Technology, 122, Luoshi Road, Wuhan, 430070, China. xyyang@whut.edu.cn
Corporate Author Thesis
Publisher Place of Publication Editor
Language English Wos 000378715400006 Publication Date 2016-05-16
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1359-7345 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 6.319 Times cited 19 Open Access
Notes This work was supported by NFSC (51472190 and 51503166), ISTCP (2015DFE52870), PCSIRT (IRT15R52) of China, and the Integrated Infrastructure Initiative of EU (312483-ESTEEM2).; esteem2jra4 Approved Most recent IF: 6.319
Call Number c:irua:134660 c:irua:134660 Serial 4110
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Author Muller-Caspary, K.; Krause, F.F.; Grieb, T.; Loffler, S.; Schowalter, M.; Béché, A.; Galioit, V.; Marquardt, D.; Zweck, J.; Schattschneider, P.; Verbeeck, J.; Rosenauer, A.
Title Measurement of atomic electric fields and charge densities from average momentum transfers using scanning transmission electron microscopy Type A1 Journal article
Year (down) 2016 Publication Ultramicroscopy Abbreviated Journal Ultramicroscopy
Volume 178 Issue 178 Pages 62-80
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract This study sheds light on the prerequisites, possibilities, limitations and interpretation of high-resolution differential phase contrast (DPC) imaging in scanning transmission electron microscopy (STEM). We draw particular attention to the well-established DPC technique based on segmented annular detectors and its relation to recent developments based on pixelated detectors. These employ the expectation value of the momentum transfer as a reliable measure of the angular deflection of the STEM beam induced by an electric field in the specimen. The influence of scattering and propagation of electrons within the specimen is initially discussed separately and then treated in terms of a two-state channeling theory. A detailed simulation study of GaN is presented as a function of specimen thickness and bonding. It is found that bonding effects are rather detectable implicitly, e.g., by characteristics of the momentum flux in areas between the atoms than by directly mapping electric fields and charge densities. For strontium titanate, experimental charge densities are compared with simulations and discussed with respect to experimental artifacts such as scan noise. Finally, we consider practical issues such as figures of merit for spatial and momentum resolution, minimum electron dose, and the mapping of larger-scale, built-in electric fields by virtue of data averaged over a crystal unit cell. We find that the latter is possible for crystals with an inversion center. Concerning the optimal detector design, this study indicates that a sampling of 5mrad per pixel is sufficient in typical applications, corresponding to approximately 10x10 available pixels.
Address Institut fur Festkr perphysik, Universitat Bremen, Otto-Hahn-Allee 1, 28359 Bremen, Germany
Corporate Author Thesis
Publisher Place of Publication Editor
Language English Wos 000403862900009 Publication Date 2016-05-12
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 93 Open Access
Notes K.M.-C. acknowledges support from the Deutsche Forschungsgemeinschaft (DFG) under contract MU3660/1-1. This work was further supported by the DFG under contract RO2057/4-2 and O2057/11-1. J.V. and A.B. acknowledge funding from the European Research Council (ERC) under the 7th Framework Program (FP7), and ERC Starting Grant No. 278510-VORTEX. Experimental results are obtained on the Qu-Ant-EM microscope partly funded by the Hercules fund from the Flemish government. J.V. also acknowledges funding through a GOA project “Solarpaint” of the University of Antwerp. SL and PS acknowledge financial support by the Austrian Science Fund (FWF) under grants No. I543-N20 and J3732-N27. ECASJO_; Approved Most recent IF: 2.843
Call Number c:irua:134125UA @ admin @ c:irua:134125 Serial 4098
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Author Callini, E.; Aguey-Zinsou, K.F.; Ahuja, R.; Ares, J.R.; Bals, S.; Biliškov, N.; Chakraborty, S.; Charalambopoulou, G.; Chaudhary, A.L.; Cuevas, F.; Dam, B.; de Jongh, P.; Dornheim, M.; Filinchuk, Y.; Grbović Novaković, J.; Hirscher, M.; Jensen, T.R.; Jensen, P.B.; Novaković, N.; Lai, Q.; Leardini, F.; Gattia, D.M.; Pasquini, L.; Steriotis, T.; Turner, S.; Vegge, T.; Züttel, A.; Montone, A.
Title Nanostructured materials for solid-state hydrogen storage : a review of the achievement of COST Action MP1103 Type A1 Journal article
Year (down) 2016 Publication International journal of hydrogen energy T2 – E-MRS Fall Meeting / Symposium C on Hydrogen Storage in Solids -, Materials, Systems and Aplication Trends, SEP 15-18, 2015, Warsaw, POLAND Abbreviated Journal Int J Hydrogen Energ
Volume 41 Issue 41 Pages 14404-14428
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract In the framework of the European Cooperation in Science and Technology (COST) Action MP1103 Nanostructured Materials for Solid-State Hydrogen Storage were synthesized, characterized and modeled. This Action dealt with the state of the art of energy storage and set up a competitive and coordinated network capable to define new and unexplored ways for Solid State Hydrogen Storage by innovative and interdisciplinary research within the European Research Area. An important number of new compounds have been synthesized: metal hydrides, complex hydrides, metal halide ammines and amidoboranes. Tuning the structure from bulk to thin film, nanoparticles and nanoconfined composites improved the hydrogen sorption properties and opened the perspective to new technological applications. Direct imaging of the hydrogenation reactions and in situ measurements under operando conditions have been carried out in these studies. Computational screening methods allowed the prediction of suitable compounds for hydrogen storage and the modeling of the hydrogen sorption reactions on mono-, bi-, and three-dimensional systems. This manuscript presents a review of the main achievements of this Action. (C) 2016 Hydrogen Energy Publications LLC. Published by Elsevier Ltd. All rights reserved.
Address
Corporate Author Thesis
Publisher Pergamon-elsevier science ltd Place of Publication Oxford Editor
Language Wos 000381950800051 Publication Date 2016-05-08
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0360-3199 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.582 Times cited 89 Open Access Not_Open_Access
Notes All the authors greatly thank the COST Action MP1103 for financial support. Approved Most recent IF: 3.582
Call Number UA @ lucian @ c:irua:135723 Serial 4307
Permanent link to this record
 
 
Author Horzum, S.; Torun, E.; Serin, T.; Peeters, F.M.
Title Structural, electronic and optical properties of Cu-doped ZnO : experimental and theoretical investigation Type A1 Journal article
Year (down) 2016 Publication Philosophical magazine Abbreviated Journal Philos Mag
Volume 96 Issue 96 Pages 1743-1756
Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
Abstract Experiments are supplemented with ab initio density functional theory (DFT) calculations in order to investigate how the structural, electronic and optical properties of zinc oxide (ZnO) thin films are modified upon Cu doping. Changes in characteristic properties of doped thin films, that are deposited on a glass substrate by sol-gel dip coating technique, are monitored using X-ray diffraction (XRD) and UV measurements. Our ab initio calculations show that the electronic structure of ZnO can be well described by DFT+U/G(0)W(0) method and we find that Cu atom substitutional doping in ZnO is the most favourable case. Our XRD measurements reveal that the crystallite size of the films decrease with increasing Cu doping. Moreover, we determine the optical constants such as refractive index, extinction coefficient, optical dielectric function and optical energy band gap values of the films by means of UV-Vis transmittance spectra. The optical band gap of ZnO the thin film linearly decreases from 3.25 to 3.20 eV at 5% doping. In addition, our calculations reveal that the electronic defect states that stem from Cu atoms are not optically active and the optical band gap is determined by the ZnO band edges. Experimentally observed structural and optical results are in good agreement with our theoretical results.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000376076500002 Publication Date 2016-05-07
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1478-6435 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.505 Times cited 29 Open Access
Notes ; Theoretical part of this work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem foundation of the Flemish government. Computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure), and HPC infrastructure of the University of Antwerp (CalcUA) a division of the Flemish Supercomputer Center (VSC), which is funded by the Hercules foundation. Experimental part of this work was supported by Ankara University BAP under Project Number [14B0443001]. ; Approved Most recent IF: 1.505
Call Number UA @ lucian @ c:irua:134161 Serial 4254
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Author Vagov, A.; Shanenko, A.A.; Milošević, M.V.; Axt, V.M.; Vinokur, V.M.; Aguiar, J.A.; Peeters, F.M.
Title Superconductivity between standard types: Multiband versus single-band materials Type A1 Journal article
Year (down) 2016 Publication Physical review B Abbreviated Journal Phys Rev B
Volume 93 Issue 93 Pages 174503
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000375527500001 Publication Date 2016-05-06
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2469-9950 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.836 Times cited 37 Open Access
Notes Conselho Nacional de Desenvolvimento Científico e Tecnológico, 307552/2012-8 141911/2012-3 ; Fundação de Amparo à Ciência e Tecnologia do Estado de Pernambuco, APQ-0589-1.05/08 ; U.S. Department of Energy; Approved Most recent IF: 3.836
Call Number CMT @ cmt @ c:irua:141732 Serial 4480
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Author Aierken, Y.; Çakir, D.; Peeters, F.M.
Title Strain enhancement of acoustic phonon limited mobility in monolayer TiS3 Type A1 Journal article
Year (down) 2016 Publication Physical chemistry, chemical physics Abbreviated Journal Phys Chem Chem Phys
Volume 18 Issue 18 Pages 14434-14441
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Strain engineering is an effective way to tune the intrinsic properties of a material. Here, we show by using first-principles calculations that both uniaxial and biaxial tensile strain applied to monolayer TiS3 are able to significantly modify its intrinsic mobility. From the elastic modulus and the phonon dispersion relation we determine the tensile strain range where structure dynamical stability of the monolayer is guaranteed. Within this region, we find more than one order of enhancement of the acoustic phonon limited mobility at 300 K (100 K), i.e. from 1.71 x 10(4) (5.13 x 10(4)) cm(2) V-1 s(-1) to 5.53 x 10(6) (1.66 x 10(6)) cm(2) V-1 s(-1). The degree of anisotropy in both mobility and effective mass can be tuned by using tensile strain. Furthermore, we can either increase or decrease the band gap of TiS3 monolayer by applying strain along different crystal directions. This property allows us to use TiS3 not only in electronic but also in optical applications.
Address
Corporate Author Thesis
Publisher Place of Publication Cambridge Editor
Language Wos 000378102700036 Publication Date 2016-05-05
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1463-9076 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.123 Times cited 24 Open Access
Notes ; This work was supported by the Fonds Wetenschappelijk Onderzoek (FWO-V1). 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 and the Flemish Government-department EWI. ; Approved Most recent IF: 4.123
Call Number UA @ lucian @ c:irua:134628 Serial 4250
Permanent link to this record
 
 
Author Bal, K.M.; Neyts, E.C.
Title Direct observation of realistic-temperature fuel combustion mechanisms in atomistic simulations Type A1 Journal article
Year (down) 2016 Publication Chemical science Abbreviated Journal Chem Sci
Volume 7 Issue 7 Pages 5280-5286
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract Atomistic simulations can in principle provide an unbiased description of all mechanisms, intermediates, and products of complex chemical processes. However, due to the severe time scale limitation of conventional simulation techniques, unrealistically high simulation temperatures are usually applied, which are a poor approximation of most practically relevant low-temperature applications. In this work, we demonstrate the direct observation at the atomic scale of the pyrolysis and oxidation of n-dodecane at temperatures as low as 700 K through the use of a novel simulation technique, collective variable-driven hyperdynamics (CVHD). A simulated timescale of up to 39 seconds is reached. Product compositions and dominant mechanisms are found to be strongly temperature-dependent, and are consistent with experiments and kinetic models. These simulations provide a first atomic-level look at the full dynamics of the complicated fuel combustion process at industrially relevant temperatures and time scales, unattainable by conventional molecular dynamics simulations.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000380893900059 Publication Date 2016-05-05
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2041-6520 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 8.668 Times cited 22 Open Access
Notes K. M. B. is funded as PhD fellow (aspirant) of the FWO-Flanders (Fund for Scientic Research-Flanders), Grant 11V8915N. The computational resources and services used in this work were provided by the VSC (Flemish Supercomputer Center) and the HPC infrastructure of the University of Antwerp (CalcUA), funded by the Hercules Foundation and the Flemish Government – department EWI. The authors would also like to thank S. Banerjee for assisting with the interpretation of the experimental results. Approved Most recent IF: 8.668
Call Number c:irua:134577 c:irua:135670 Serial 4105
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Author Wee, L.H.; Meledina, M.; Turner, S.; Custers, K.; Kerkhofs, S.; Sree, S.P.; Gobechiya, E.; Kirschhock, C.E.A.; Van Tendeloo, G.; Martens, J.A.
Title Anatase TiO2nanoparticle coating on porous COK-12 platelets as highly active and reusable photocatalysts Type A1 Journal article
Year (down) 2016 Publication RSC advances Abbreviated Journal Rsc Adv
Volume 6 Issue 6 Pages 46678-46685
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Nanoscale TiO2 photocatalysts are widely used for biomedical applications, self-cleaning processes and wastewater treatments. The impregnation/deposition of TiO2 nanoparticles is indispensable for facile handling and separation as well as the improvement of their photocatalytic performance. In the present study, ordered mesoporous COK-12 silica thin platelets with a high-aspect-ratio and rough surfaces are demonstrated as a potential nanoporous support for homogeneous TiO2 nanoparticle coatings with high loading up to 16.7 wt%. The photocatalytic composite of COK-12 platelets and TiO2 nanoparticles is characterized in detail by HRSEM, SAXS, XRD, N2 physisorption analysis, solid-state UV-vis spectroscopy, HAADF-STEM, EDX analysis, and electron tomography. HAADF-STEM-EDX and electron tomography studies reveal a homogeneous dispersion of nanosized TiO2 nanoparticles over COK-12 platelets. The final composite material with anatase TiO2 nanoparticles that demonstrate a blueshifted semiconductor band gap energy of 3.2 eV coated on a highly porous COK-12 support shows exceptional photocatalytic catalytic activity for photodegradation of organic dyes (rhodamine 6G and methylene blue) and an organic pollutant (1-adamantanol) under UV light radiation, outperforming the commercial P25 TiO2 (Degussa) catalyst.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000377254800070 Publication Date 2016-05-05
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2046-2069 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.108 Times cited 6 Open Access
Notes L. H. W. and S. T. thanks the FWO-Vlaanderen for a postdoctoral research fellowships under contract number (12M1415N) and (G004613N), respectively. J. A.Mgratefully acknowledge nancial supports from Flemish Government (Long-term structural funding-Methusalem). Collaboration among universities was supported by the Belgium Government (IAP-PAI networking). Approved Most recent IF: 3.108
Call Number c:irua:133775 Serial 4074
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Author Ben Dkhil, S.; Pfannmöller, M.; Bals, S.; Koganezawa, T.; Yoshimoto, N.; Hannani, D.; Gaceur, M.; Videlot-Ackermann, C.; Margeat, O.; Ackermann, J.
Title Square-centimeter-sized high-efficiency polymer solar cells : how the processing atmosphere and film quality influence performance at large scale Type A1 Journal article
Year (down) 2016 Publication Laser physics review Abbreviated Journal Adv Energy Mater
Volume 6 Issue 6 Pages 1600290
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract Organic solar cells based on two benzodithiophene-based polymers (PTB7 and PTB7-Th) processed at square centimeter-size under inert atmosphere and ambient air, respectively, are investigated. It is demonstrated that the performance of solar cells processed under inert atmosphere is not limited by the upscaling of photoactive layer and the interfacial layers. Thorough morphological and electrical characterizations of optimized layers and corresponding devices reveal that performance losses due to area enlargement are only caused by the sheet resistance of the transparent electrode reducing the effi ciency from 9.3% of 7.8% for PTB7-Th in the condition that both photoactive layer and the interfacial layers are of high layer quality. Air processing of photoactive layer and the interfacial layers into centimeter-sized solar cells lead to additional, but only slight, losses (< 10%) in all photovoltaic parameters, which can be addressed to changes in the electronic properties of both active layer and ZnO layers rather than changes in layer morphology. The demonstrated compatibility of polymer solar cells using solution-processed photoactive layer and interfacial layers with large area indicates that the introduction of a standard active area of 1 cm(2) for measuring effi ciency of organic record solar cells is feasible. However electric standards for indium tin oxides (ITO) or alternative transparent electrodes need to be developed so that performance of new photovoltaic materials can be compared at square centimeter-size.
Address
Corporate Author Thesis
Publisher Place of Publication Place of publication unknown Editor
Language Wos 000379314700010 Publication Date 2016-05-04
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1614-6832 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 16.721 Times cited 6 Open Access Not_Open_Access
Notes ; The authors acknowledge financial support by the French Fond Unique Intermisteriel (FUI) under the project “SFUMATO” (Grant number: F1110019V/ 201308815) as well as by the European Commission under the Project “SUNFLOWER” (FP7-ICT-2011-7-contract no. 287594). Generalitat Valenciana (ISIC/2012/008 Institute of Nanotechnologies for Clean Energies) is also acknowledged for providing financial support. The synchrotron radiation experiments were performed at BL46XU and BL19B2 in SPring-8 with the approval of Japan Synchrotron Radiation Research Institute (JASRI) (Proposal Nos. 2014B1916 and 2015A1984). The authors further acknowledge financial support from the European Research Council (ERC Starting Grant #335078-COLOURATOMS). ; Approved Most recent IF: 16.721
Call Number UA @ lucian @ c:irua:134951 Serial 4249
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Author Han, M.; De Clippeleir, H.; Al-Omari, A.; Wett, B.; Vlaeminck, S.E.; Bott, C.; Murthy, S.
Title Impact of carbon to nitrogen ratio and aeration regime on mainstream deammonification Type A1 Journal article
Year (down) 2016 Publication Water science and technology Abbreviated Journal
Volume 74 Issue 2 Pages 375-384
Keywords A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL)
Abstract While deammonification of high-strength wastewater in the sludge line of sewage treatment plants has become well established, the potential cost savings spur the development of this technology for mainstream applications. This study aimed at identifying the effect of aeration and organic carbon on the deammonification process. Two 10 L sequencing bath reactors with different aeration frequencies were operated at 25 degrees C. Real wastewater effluents from chemically enhanced primary treatment and high-rate activated sludge process were fed into the reactors with biodegradable chemical oxygen demand/nitrogen (bCOD/N) of 2.0 and 0.6, respectively. It was found that shorter aerobic solids retention time (SRT) and higher aeration frequency gave more advantages for aerobic ammonium-oxidizing bacteria (AerAOB) than nitrite oxidizing bacteria (NOB) in the system. From the kinetics study, it is shown that the affinity for oxygen is higher for NOB than for AerAOB, and higher dissolved oxygen set-point could decrease the affinity of both AerAOB and NOB communities. After 514 days of operation, it was concluded that lower organic carbon levels enhanced the activity of anoxic ammonium-oxidizing bacteria (AnAOB) over denitrifiers. As a result, the contribution of AnAOB to nitrogen removal increased from 40 to 70%. Overall, a reasonably good total removal efficiency of 66% was reached under a low bCOD/N ratio of 2.0 after adaptation.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000380765500011 Publication Date 2016-04-30
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0273-1223; 1996-9732 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited Open Access
Notes Approved no
Call Number UA @ admin @ c:irua:135032 Serial 8062
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Author Neilson, D.; Perali, A.; Zarenia, M.
Title Many-body electron correlations in graphene Type P1 Proceeding
Year (down) 2016 Publication (mbt18) Abbreviated Journal
Volume 702 Issue 702 Pages 012008
Keywords P1 Proceeding; Condensed Matter Theory (CMT)
Abstract The conduction electrons in graphene promise new opportunities to access the region of strong many-body electron-electron correlations. Extremely high quality, atomically flat two-dimensional electron sheets and quasi-one-dimensional electron nanoribbons with tuneable band gaps that can be switched on by gates, should exhibit new many-body phenomena that have long been predicted for the regions of phase space where the average Coulomb repulsions between electrons dominate over their Fermi energies. In electron nanoribbons a few nanometres wide etched in monolayers of graphene, the quantum size effects and the van Hove singularities in their density of states further act to enhance electron correlations. For graphene multilayers or nanoribbons in a double unit electron-hole geometry, it is possible for the many-body electron-hole correlations to be made strong enough to stabilise high-temperature electron- hole superfluidity.
Address
Corporate Author Thesis
Publisher Iop publishing ltd Place of Publication Bristol Editor
Language Wos 000389756000008 Publication Date 2016-04-29
Series Editor Series Title Abbreviated Series Title
Series Volume 702 Series Issue Edition
ISSN 1742-6588; 1742-6596 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited 3 Open Access
Notes ; ; Approved Most recent IF: NA
Call Number UA @ lucian @ c:irua:140268 Serial 4455
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Author Zarenia, M.; Perali, A.; Peeters, F.M.; Neilson, D.
Title Large gap electron-hole superfluidity and shape resonances in coupled graphene nanoribbons Type A1 Journal article
Year (down) 2016 Publication Scientific reports Abbreviated Journal Sci Rep-Uk
Volume 6 Issue 6 Pages 24860
Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
Abstract We predict enhanced electron-hole superfluidity in two coupled electron-hole armchair-edge terminated graphene nanoribbons separated by a thin insulating barrier. In contrast to graphene monolayers, the multiple subbands of the nanoribbons are parabolic at low energy with a gap between the conduction and valence bands, and with lifted valley degeneracy. These properties make screening of the electron-hole interaction much weaker than for coupled electron-hole monolayers, thus boosting the pairing strength and enhancing the superfluid properties. The pairing strength is further boosted by the quasi one-dimensional quantum confinement of the carriers, as well as by the large density of states near the bottom of each subband. The latter magnifies superfluid shape resonances caused by the quantum confinement. Several superfluid partial condensates are present for finite-width nanoribbons with multiple subbands. We find that superfluidity is predominately in the strongly-coupled BEC and BCS-BEC crossover regimes, with large superfluid gaps up to 100 meV and beyond. When the gaps exceed the subband spacing, there is significant mixing of the subbands, a rounding of the shape resonances, and a resulting reduction in the one-dimensional nature of the system.
Address
Corporate Author Thesis
Publisher Nature Publishing Group Place of Publication London Editor
Language Wos 000374654500002 Publication Date 2016-04-25
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2045-2322 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.259 Times cited 7 Open Access
Notes ; M.Z. acknowledges support by the Flemish Science Foundation (FWO-Vl), the University Research Fund (BOF), and the European Science Foundation (POLATOM). A.P. and D.N. acknowledge support by the University of Camerino FAR project CESEMN. The authors thank the colleagues involved in the MultiSuper International Network (http://www.multisuper.org) for exchange of ideas and suggestions for this work. ; Approved Most recent IF: 4.259
Call Number UA @ lucian @ c:irua:133619 Serial 4201
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Author Dharanipragada, N.V.R.A.; Meledina, M.; Galvita, V.V.; Poelman, H.; Turner, S.; Van Tendeloo, G.; Detavernier, C.; Marin, G.B.
Title Deactivation study of Fe2O3-CeO2 during redox cycles for CO production from CO2 Type A1 Journal article
Year (down) 2016 Publication Industrial and engineering chemistry research Abbreviated Journal Ind Eng Chem Res
Volume 55 Issue 55 Pages 5911-5922
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Deactivation was investigated in Fe2O3-CeO2 oxygen storage materials during repeated H-2-reduction and CO2-reoxidation. In situ XRD, XAS, and TEM were used to identify phases, crystallite sizes, and morphological changes upon cycling operation. The effect of redox cycling was investigated both in Fe-rich (80 wt % Fe2O3-CeO2) and Ce-rich (10 wt %Fe2O3-CeO2) materials. The former consisted of 100 nm Fe2O3 particles decorated with 5-10 nm Ce1-xFexO2-x. The latter presented CeO2 with incorporated Fe, i.e. a solid solution of Ce1-xFexO2-x, as the main oxygen carrier. By modeling the EXAFS Ce-K signal for as-prepared 10 wt %Fe2O3-CeO2, the amount of Fe in CeO2 was determined as 21 mol %, corresponding to 86% of the total iron content. Sintering and solid solid transformations, the latter including both new phase formation and element segregation, were identified as deactivation pathways upon redox cycling. In Ce-rich material, perovskite (CeFeO3) was identified by XRD. This phase remained inert during reduction and reoxidation, resulting in an overall lower oxygen storage capacity. Further, Fe segregated from the solid solution, thereby decreasing its reducibility. In addition, an increase in crystallite size occurred for all phases. In Fe-rich material, sintering is the main deactivation pathway, although Fe segregation from the solid solution and perovskite formation cannot be excluded.
Address
Corporate Author Thesis
Publisher Place of Publication Washington, D.C. Editor
Language Wos 000376825300013 Publication Date 2016-04-22
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0888-5885; 1520-5045 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.843 Times cited 26 Open Access
Notes Approved Most recent IF: 2.843
Call Number UA @ lucian @ c:irua:134214 Serial 4158
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Author Folens, K.; Leus, K.; Nicomel, N.R.; Meledina, M.; Turner, S.; Van Tendeloo, G.; Du Laing, G.; Van Der Voort, P.
Title Fe3O4@MIL-101-A selective and regenerable adsorbent for the removal of as species from water Type A1 Journal article
Year (down) 2016 Publication European journal of inorganic chemistry Abbreviated Journal Eur J Inorg Chem
Volume 2016 Issue 2016 Pages 4395-4401
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract The chromium-based metal organic framework MIL-101(Cr) served as a host for the in situ synthesis of Fe3O4 nano particles. This hybrid nanomaterial was tested as an adsorbent for arsenite and arsenate species in groundwater and surface water and showed excellent affinity towards As-III and As-V species. The adsorption capacities of 121.5 and 80.0 mg g(-1) for arsenite and arsenate species, respectively, are unprecedented. The presence of Ca2+, Mg2+, and phosphate ions and natural organic matter does not affect the removal efficiency or the selectivity. The structural integrity of the hybrid nanomaterial was maintained during the adsorption process and even after desorption through phosphate elution. Additionally, no significant leaching of Cr or Fe species was observed.
Address
Corporate Author Thesis
Publisher Place of Publication Weinheim Editor
Language Wos 000386166900019 Publication Date 2016-04-21
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1434-1948 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.444 Times cited 27 Open Access
Notes Approved Most recent IF: 2.444
Call Number UA @ lucian @ c:irua:139220 Serial 4442
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Author Cukaric, N.A.; Partoens, B.; Tadic, M.Z.; Arsoski, V.V.; Peeters, F.M.
Title The 30-band k . p theory of valley splitting in silicon thin layers Type A1 Journal article
Year (down) 2016 Publication Journal of physics : condensed matter Abbreviated Journal J Phys-Condens Mat
Volume 28 Issue 28 Pages 195303
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract The valley splitting of the conduction-band states in a thin silicon-on-insulator layer is investigated using the 30-band k . p theory. The system composed of a few nm thick Si layer embedded within thick SiO2 layers is analyzed. The valley split states are found to cross periodically with increasing quantum well width, and therefore the energy splitting is an oscillatory function of the quantum well width, with period determined by the wave vector K-0 of the conduction band minimum. Because the valley split states are classified by parity, the optical transition between the ground hole state and one of those valley split conduction band states is forbidden. The oscillations in the valley splitting energy decrease with electric field and with smoothing of the composition profile between the well and the barrier by diffusion of oxygen from the SiO2 layers to the Si quantum well. Such a smoothing also leads to a decrease of the interband transition matrix elements. The obtained results are well parametrized by the effective two-valley model, but are found to disagree from previous 30-band calculations. This discrepancy could be traced back to the fact that the basis for the numerical solution of the eigenproblem must be restricted to the first Brillouin zone in order to obtain quantitatively correct results for the valley splitting.
Address
Corporate Author Thesis
Publisher Place of Publication London Editor
Language Wos 000374394700009 Publication Date 2016-04-19
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0953-8984 ISBN Additional Links UA library record; WoS full record
Impact Factor 2.649 Times cited Open Access
Notes ; This work was supported by the Ministry of Education, Science, and Technological Development of Serbia, the Flemish fund for Scientific Research (FWO-Vl), and the Methusalem programme of the Flemish government. ; Approved Most recent IF: 2.649
Call Number UA @ lucian @ c:irua:133610 Serial 4261
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Author Sivek, J.; Sahin, H.; Partoens, B.; Peeters, F.M.
Title Giant magnetic anisotropy in doped single layer molybdenum disulfide and fluorographene Type A1 Journal article
Year (down) 2016 Publication Journal of physics : condensed matter Abbreviated Journal J Phys-Condens Mat
Volume 28 Issue 28 Pages 195301
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Stable monolayer materials based on existing, well known and stable two-dimensional crystal fluorographene and molybdenum disulfide are predicted to exhibit a huge magnetocrystalline anisotropy when functionalized with adsorbed transition metal atoms at vacant sides. Ab initio calculations within the density-functional theory formalism were performed to investigate the adsorption of the transitional metals in a single S (or F) vacancy of monolayer molybdenum disulfide (or fluorographene). We found strong bonding of the transitional metal atoms to the vacant sites with binding energies ranging from 2.5 to 5.2 eV. Our calculations revealed that these systems with adsorbed metal atoms exhibit a magnetic anisotropy, specifically the structures including Os and Ir show a giant magnetocrystalline anisotropy energy of 31-101 meV. Our results demonstrate the possibility of obtaining stable monolayer materials with huge magnetocrystalline anisotropy based on preexisting, well known and stable two-dimensional crystals: fluorographene and molybdenum disulfide. We believe that the results obtained here are useful not only for deeper understanding of the origin of magnetocrystalline anisotropy but also for the design of monolayer optoelectronic devices with novel functionalities.
Address
Corporate Author Thesis
Publisher Place of Publication London Editor
Language Wos 000374394700007 Publication Date 2016-04-13
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0953-8984 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.649 Times cited 7 Open Access
Notes Approved Most recent IF: 2.649
Call Number UA @ lucian @ c:irua:133611 Serial 4185
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Author Craco, L.; Carara, S.S.; da Silva Pereira, T.A.; Milošević, M.V.
Title Electronic states in an atomistic carbon quantum dot patterned in graphene Type A1 Journal article
Year (down) 2016 Publication Physical review B Abbreviated Journal Phys Rev B
Volume 93 Issue 93 Pages 155417
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract We reveal the emergence of metallicKondo clouds in an atomistic carbon quantum dot, realized as a single-atom junction in a suitably patterned graphene nanoflake. Using density functional dynamical mean-field theory (DFDMFT) we show how correlation effects lead to striking features in the electronic structure of our device, and how those are enhanced by the electron-electron interactions when graphene is patterned at the atomistic scale. Our setup provides a well-controlled environment to understand the principles behind the orbital-selective Kondo physics and the interplay between orbital and spin degrees of freedom in carbon-based nanomaterials, which indicate new pathways for spintronics in atomically patterned graphene.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000373760900004 Publication Date 2016-04-12
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2469-9950;2469-9969; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.836 Times cited 6 Open Access
Notes ; L.C.'s work is supported by CNPq (Proc. No. 307487/2014-8). Acknowledgment (L.C.) is also made to G. Seifert for discussions and the Department of Theoretical Chemistry at Technical University Dresden for hospitality. T.A.S.P. thanks PRONEX/CNPq/FAPEMAT 850109/2009 for financial support. M.V.M. acknowledges support from Research Foundation-Flanders (FWO), TOPBOF, and the CAPES-PVE program. ; Approved Most recent IF: 3.836
Call Number UA @ lucian @ c:irua:133260 Serial 4171
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Author Mourdikoudis, S.; Altantzis, T.; Liz-Marzan, L.M.; Bals, S.; Pastoriza-Santos, I.; Perez-Juste, J.
Title Hydrophilic Pt nanoflowers: synthesis, crystallographic analysis and catalytic performance Type A1 Journal article
Year (down) 2016 Publication CrystEngComm Abbreviated Journal Crystengcomm
Volume 18 Issue 18 Pages 3422-3427
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Water-soluble Pt nanoflowers (NFs) were prepared by a diethylene glycol-mediated reduction of Pt acetylacetonate

(Pt(acac)2) in the presence of polyethyleneimine. Advanced electron microscopy analysis showed that NFs consist of

multiple branches with truncated cubic morphology and different crystallographic orientations. We demonstrate that the

nature of the solvent strongly influences the resulting morphology. The catalytic performance of Pt NFs in 4–nitrophenol

reduction was found to be superior to that of other nanoparticle-based catalysts. Additionally, Pt NFs display good

catalytic reusability with no loss of activity after five consecutive cycles.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000375697800012 Publication Date 2016-04-12
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 30 Open Access OpenAccess
Notes The authors would like to thank J. Millos for the XRD experiments and R. Lomba for ICP-OES elemental analysis measurements at the CACTI institute in Vigo. S. Rodal-Cedeira is acknowledged for the FTIR measurement. This research project was implemented within the framework of the Action «Supporting Postdoctoral Researchers» of the Operational Program “Education and Lifelong Learning” (Action’s Beneficiary: General Secretariat for Research and Technology of Greece) and is co-financed by the European Social Fund (ESF) and the Greek State [project code PE4(1546)]. This work has been also supported by the Spanish MINECO (grant MAT2013-45168-R) and by the Xunta de Galicia/FEDER (Grant No. GPC2013-006; INBIOMED/FEDER “Unha maneira de facer Europa”). S.B. acknowledges funding from the European Research Council under the Seventh Framework Program (FP7), ERC Grant No. 335078 COLOURATOMS.; ECAS_Sara; (ROMEO:yellow; preprint:; postprint:restricted ; pdfversion:cannot); Approved Most recent IF: 3.474
Call Number c:irua:133670 Serial 4067
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Author Mirzakhani, M.; Zarenia, M.; Ketabi, S.A.; da Costa, D.R.; Peeters, F.M.
Title Energy levels of hybrid monolayer-bilayer graphene quantum dots Type A1 Journal article
Year (down) 2016 Publication Physical review B Abbreviated Journal Phys Rev B
Volume 93 Issue 93 Pages 165410
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Often real samples of graphene consist of islands of both monolayer and bilayer graphene. Bound states in such hybrid quantum dots are investigated for (i) a circular single-layer graphene quantum dot surrounded by an infinite bilayer graphene sheet and (ii) a circular bilayer graphene quantum dot surrounded by an infinite single-layer graphene. Using the continuum model and applying zigzag boundary conditions at the single-layer-bilayer graphene interface, we obtain analytical results for the energy levels and the corresponding wave spinors. Their dependence on perpendicular magnetic and electric fields are studied for both types of quantum dots. The energy levels exhibit characteristics of interface states, and we find anticrossings and closing of the energy gap in the presence of a bias potential.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000373572700004 Publication Date 2016-04-09
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2469-9950;2469-9969; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.836 Times cited 26 Open Access
Notes ; This work was supported by the Fonds Wetenschappelijk Onderzoek (FWO)-CNPq project between Flanders and Brazil and the Brazilian Science Without Borders program. ; Approved Most recent IF: 3.836
Call Number UA @ lucian @ c:irua:133261 Serial 4174
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Author Bakalov, P.; Esfahani, D.N.; Covaci, L.; Peeters, F.M.; Tempere, J.; Locquet, J.-P.
Title Electric-field-driven Mott metal-insulator transition in correlated thin films : an inhomogeneous dynamical mean-field theory approach Type A1 Journal article
Year (down) 2016 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 93 Issue 93 Pages 165112
Keywords A1 Journal article; Theory of quantum systems and complex systems; Condensed Matter Theory (CMT)
Abstract Simulations are carried out based on the dynamical mean-field theory (DMFT) in order to investigate the properties of correlated thin films for various values of the chemical potential, temperature, interaction strength, and applied transverse electric field. Application of a sufficiently strong field to a thin film at half filling leads to the appearance of conducting regions near the surfaces of the film, whereas in doped slabs the application of a field leads to a conductivity enhancement on one side of the film and a gradual transition to the insulating state on the opposite side. In addition to the inhomogeneous DMFT, a local density approximation (LDA) is considered in which the particle density n, quasiparticle residue Z, and spectral weight at the Fermi level A(ω=0) of each layer are approximated by a homogeneous bulk environment. A systematic comparison between the two approaches reveals that the less expensive LDA results are in good agreement with the DMFT approach, except close to the metal-to-insulator transition points and in the layers immediately at the film surfaces. LDA values for n are overall more reliable than those for Z and A(ω=0). The hysteretic behavior (memory effect) characteristic of the bulk doping driven Mott transition persists in the slab.
Address
Corporate Author Thesis
Publisher Place of Publication Lancaster, Pa Editor
Language Wos 000373572700002 Publication Date 2016-04-09
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 5 Open Access
Notes ; This work was partially funded by the Flemish Fund for Scientific Research (FWO Belgium) under FWO Grant No. G.0520.10 and the joint FWF (Austria)-FWO Grant No. GOG6616N, and by the SITOGA FP7 project. Most of the calculations were performed on KU Leuven's ThinKing HPC cluster provided by the VSC (Flemish Supercomputer Center), funded by the FWO and the Flemish Government-department EWI. ; Approved Most recent IF: 3.836
Call Number UA @ lucian @ c:irua:132872 Serial 4167
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Author Thirumalraj, alamurugan; Palanisamy, S.; Chen, S.-M.; De Wael, K.
Title A graphene/gelatin composite material for the entrapment of hemoglobin for bioelectrochemical sensing applications Type A1 Journal article
Year (down) 2016 Publication Journal of the electrochemical society Abbreviated Journal J Electrochem Soc
Volume 163 Issue 7 Pages 265-271
Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Abstract In the present work, a novel graphene (GN) and gelatin (GTN) composite was prepared and used as an immobilization matrix for hemoglobin (Hb). Compared with Hb immobilized on a bare, GN or GTN modified glassy carbon electrode (GCE), a stable and pair of well-defined quasi redox couple was observed at an Hb modified GN/GTN composite GCE at a formal potential of −0.306 V versus Ag|AgCl. The direct electrochemical behavior of Hb was greatly enhanced by the presence of both GTN and GN. A heterogeneous electron transfer rate constant (Ks) was calculated as 3.82 s−1 for Hb immobilized at GN/GTN modified GCE, which indicates the fast direct electron transfer of Hb toward the electrode surface. The biosensor shows a stable and wide linear response for H2O2 in the linear response range from 0.1 μM to 786.6 μM with an analytical sensitivity and limit of detection of 0.48 μAμM−1 cm−2 and 0.04 μM, respectively. The fabricated biosensor holds its high selectivity in the presence of potentially active interfering species and metal ions. The biosensor shows its satisfactory practical ability in the commercial contact lens solution and human serum samples.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000377412900047 Publication Date 2016-04-08
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0013-4651 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.259 Times cited 9 Open Access
Notes ; This project was supported by the Ministry of Science and Technology (project no. NSC1012113M027001MY3), Taiwan (Republic of China). The authors express their sincere thanks to Prof. Bih-Show Lou, Chemistry Division, Center for General Education, Chang Gung University, Tao-Yuan, Taiwan for providing the human serum samples. ; Approved Most recent IF: 3.259
Call Number UA @ admin @ c:irua:132627 Serial 5635
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Author Retuerto, M.; Skiadopoulou, S.; Li, M.R.; Abakumov, A.M.; Croft, M.; Ignatov, A.; Sarkar, T.; Abbett, B.M.; Pokorný, J.; Savinov, M.; Nuzhnyy, D.; Prokleška, J.; Abeykoon, M.; Stephens, P.W.; Hodges, J.P.; Vaněk, P.; Fennie, C.J.; Rabe, K.M.; Kamba, S.; Greenblatt, M.;
Title Pb2MnTeO6 double perovskite : an antipolar anti-ferromagnet Type A1 Journal article
Year (down) 2016 Publication Inorganic chemistry Abbreviated Journal Inorg Chem
Volume 55 Issue 55 Pages 4320-4329
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Pb2MnTeO6, a new double perovskite, was synthesized. Its crystal structure was determined by synchrotron X-ray and powder neutron diffraction. Pb2MnTeO6 is monoclinic (I2/m) at room temperature with a regular arrangement of all the cations in their polyhedra. However, when the temperature is lowered to similar to 120 K it undergoes a phase transition from I2/m to C2/c structure. This transition is accompanied by a displacement of the Pb atoms from the center of their polyhedra due to the 6s2 lone-pair electrons, together with a surprising off-centering of Mn2+ (d5) magnetic cations. This strong first-order phase transition is also evidenced by specific heat, dielectric, Raman, and infrared spectroscopy measurements. The magnetic characterizations indicate an anti-ferromagnetic (AFM) order below TN approximate to 20 K; analysis of powder neutron diffraction data confirms the magnetic structure with propagation vector k = (0 1 0) and collinear AFM spins. The observed jump in dielectric permittivity near similar to 150 K implies possible anti-ferroelectric behavior; however, the absence of switching suggests that Pb2MnTeO6 can only be antipolar. First-principle calculations confirmed that the crystal and magnetic structures determined are locally stable and that anti-ferroelectric switching is unlikely to be observed in Pb2MnTeO6.
Address
Corporate Author Thesis
Publisher Place of Publication Easton, Pa Editor
Language Wos 000375519700027 Publication Date 2016-04-08
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0020-1669 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.857 Times cited 9 Open Access
Notes Approved Most recent IF: 4.857
Call Number UA @ lucian @ c:irua:134219 Serial 4258
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Author Amin-Ahmadi, B.; Connétable, D.; Fivel, M.; Tanguy, D.; Delmelle, R.; Turner, S.; Malet, L.; Godet, S.; Pardoen, T.; Proost, J.; Schryvers, D.; Idrissi, H.
Title Dislocation/hydrogen interaction mechanisms in hydrided nanocrystalline palladium films Type A1 Journal article
Year (down) 2016 Publication Acta materialia Abbreviated Journal Acta Mater
Volume 111 Issue 111 Pages 253-261
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract The nanoscale plasticity mechanisms activated during hydriding cycles in sputtered nanocrystalline Pd films have been investigated ex-situ using advanced transmission electron microscopy techniques. The internal stress developing within the films during hydriding has been monitored in-situ. Results showed that in Pd films hydrided to β-phase, local plasticity was mainly controlled by dislocation activity in spite of the small grain size. Changes of the grain size distribution and the crystallographic texture have not been observed. In contrast, significant microstructural changes were not observed in Pd films hydrided to α-phase. Moreover, the effect of hydrogen loading on the nature and density of dislocations has been investigated using aberration-corrected TEM. Surprisingly, a high density of shear type stacking faults has been observed after dehydriding, indicating a significant effect of hydrogen on the nucleation energy barriers of Shockley partial dislocations. Ab-initio calculations of the effect of hydrogen on the intrinsic stable and unstable stacking fault energies of palladium confirm the experimental observations.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000375812100027 Publication Date 2016-04-06
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1359-6454 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 5.301 Times cited 14 Open Access
Notes This work was carried out in the framework of the IAP program of the Belgian State Federal Office for Scientific, Technical and Cultural Affairs, under Contract No. P7/21. The support of the FWO research project G012012N “Understanding nanocrystalline mechanical behaviour from structural investigations” for B. Amin-Ahmadi is also gratefully acknowledged. This work was granted access to the HPC resources of CALMIP (CICT Toulouse, France) under the allocations 2014-p0912 and 2014-p0749. Approved Most recent IF: 5.301
Call Number c:irua:132678 Serial 4054
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Author De Schutter, B.; Van Stiphout, K.; Santos, N.M.; Bladt, E.; Jordan-Sweet, J.; Bals, S.; Lavoie, C.; Comrie, C.M.; Vantomme, A.; Detavernier, C.
Title Phase formation and texture of thin nickel germanides on Ge(001) and Ge(111) Type A1 Journal article
Year (down) 2016 Publication Journal of applied physics Abbreviated Journal J Appl Phys
Volume 119 Issue 119 Pages 135305
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract We studied the solid-phase reaction between a thin Nifilm and a single crystal Ge(001) or Ge(111) substrate during a ramp anneal. The phase formation sequence was determined using in situX-ray diffraction and in situRutherford backscattering spectrometry (RBS), while the nature and the texture of the phases were studied using X-ray pole figures and transmission electron microscopy. The phase sequence is characterized by the formation of a single transient phase before NiGe forms as the final and stable phase. X-ray pole figures were used to unambiguously identify the transient phase as the ϵ-phase, a non-stoichiometric Ni-rich germanide with a hexagonal crystal structure that can exist for Ge concentrations between 34% and 48% and which forms with a different epitaxial texture on both substrate orientations. The complementary information gained from both RBS and X-ray pole figure measurements revealed a simultaneous growth of both the ϵ-phase and NiGe over a small temperature window on both substrate orientations.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000374150200035 Publication Date 2016-04-05
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 14 Open Access OpenAccess
Notes The authors thank the FWO-vlaanderen, BOF-UGent (under Contract No. “GOA 01G01513”) and the Hercules Foundation (under Project No. “AUGE/09/014”) for financial support. S. Bals acknowledges financial support from European Research Council (ERC Starting Grant No. “#335078-COLOURATOMS”). A. Vantomme thanks the BOF-KULeuven (under Contract No. “GOA/14/007”) and the Joint Science and Technology Collaboration between the FWO (G.0031.14) and NRF (UID88013). The National Synchrotron Light Source (NSLS), Brookhaven National Laboratory, was supported by the U.S. Department of Energy, Office of Basic Energy Sciences (Contract No. DE-AC02-98CH10886).; ECAS_Sara; (ROMEO:green; preprint:; postprint:can ; pdfversion:restricted); Approved Most recent IF: 2.068
Call Number c:irua:132897 Serial 4066
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Author Ovsyannikov, S.V.; Bykov, M.; Bykova, E.; Kozlenko, D.P.; Tsirlin, A.A.; Karkin, A.E.; Shchennikov, V.V.; Kichanov, S.E.; Gou, H.; Abakumov, A.M.; Egoavil, R.; Verbeeck, J.; McCammon, C.; Dyadkin, V.; Chernyshov, D.; van Smaalen, S.; Dubrovinsky, L.S.
Title Charge-ordering transition in iron oxide Fe4O5 involving competing dimer and trimer formation Type A1 Journal article
Year (down) 2016 Publication Nature chemistry Abbreviated Journal Nat Chem
Volume 8 Issue 8 Pages 501-508
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Phase transitions that occur in materials, driven, for instance, by changes in temperature or pressure, can dramatically change the materials' properties. Discovering new types of transitions and understanding their mechanisms is important not only from a fundamental perspective, but also for practical applications. Here we investigate a recently discovered Fe4O5 that adopts an orthorhombic CaFe3O5-type crystal structure that features linear chains of Fe ions. On cooling below approximately 150 K, Fe4O5 undergoes an unusual charge-ordering transition that involves competing dimeric and trimeric ordering within the chains of Fe ions. This transition is concurrent with a significant increase in electrical resistivity. Magnetic-susceptibility measurements and neutron diffraction establish the formation of a collinear antiferromagnetic order above room temperature and a spin canting at 85 K that gives rise to spontaneous magnetization. We discuss possible mechanisms of this transition and compare it with the trimeronic charge ordering observed in magnetite below the Verwey transition temperature.
Address Bayerisches Geoinstitut, Universitat Bayreuth, Universitatsstrasse 30, D-95447, Bayreuth, Germany
Corporate Author Thesis
Publisher Place of Publication Editor
Language English Wos 000374534100019 Publication Date 2016-04-04
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1755-4330 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 25.87 Times cited 51 Open Access
Notes S.V.O. acknowledges the financial support of the Deutsche Forschungsgemeinschaft (DFG) under project OV-110/1-3. A.E.K. and V.V.S. acknowledge the support of the Russian Foundation for Basic Research (Project 14–02–00622a). H.G. acknowledges the support from the Alexander von Humboldt (AvH) Foundation and the National Natural Science Foundation of China (No. 51201148). A.M.A., R.E. and J.V. acknowledge financial support from the European Commission (EC) under the Seventh Framework Programme (FP7) under a contract for an Integrated Infrastructure Initiative, Reference No. 312483- ESTEEM2. R.E. acknowledges support from the EC under FP7 Grant No. 246102 IFOX. A.M.A. acknowledges funding from the Russian Science Foundation (Grant No. 14-13- 00680). A.A.T. acknowledges funding and from the Federal Ministry for Education and Research through the Sofja Kovalevkaya Award of the AvH Foundation. Funding from the Fund for Scientific Research Flanders under FWO Project G.0044.13N is acknowledged. M.B. and S.v.S. acknowledge support from the DFG under Project Sm55/15-2. We acknowledge the European Synchrotron Radiation Facility for the provision of synchrotron radiation facilities.; esteem2jra2; esteem2jra3 Approved Most recent IF: 25.87
Call Number c:irua:133593 c:irua:133593UA @ admin @ c:irua:133593 Serial 4068
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Author Zanaga, D.; Altantzis, T.; Polavarapu, L.; Liz-Marzán, L.M.; Freitag, B.; Bals, S.
Title A New Method for Quantitative XEDS Tomography of Complex Heteronanostructures Type A1 Journal article
Year (down) 2016 Publication Particle and particle systems characterization Abbreviated Journal Part Part Syst Char
Volume 33 Issue 33 Pages 396-403
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract Reliable quantification of 3D results obtained by X-ray Energy Dispersive Spectroscopy (XEDS) tomography is currently hampered by the presence of shadowing effects and poor spatial resolution. Here, we present a method that overcomes these problems by synergistically combining quantified XEDS data and High Angle Annular Dark Field – Scanning Transmission Electron Microscopy (HAADF-STEM) tomography. As a proof of principle, the approach is applied to characterize a complex Au/Ag nanorattle obtained through a galvanic replacement reaction. However, the technique we propose here is widely applicable to a broad range of nanostructures.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000379970000008 Publication Date 2016-03-31
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0934-0866 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.474 Times cited 29 Open Access OpenAccess
Notes The authors acknowledge financial support from European Research Council (ERC Starting Grant # 335078-COLOURATOMS, ERC Advanced Grant # 291667 HierarSACol and ERC Advanced Grant 267867 – PLASMAQUO), the European Union under the FP7 (Integrated Infrastructure Initiative N. 262348 European Soft Matter Infrastructure, ESMI and N. 312483 ESTEEM2).; esteem2jra4; ECASSara; (ROMEO:yellow; preprint:; postprint:restricted ; pdfversion:cannot); Approved Most recent IF: 4.474
Call Number c:irua:132643 c:irua:132643 Serial 4052
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Author Thomassen, G.; Egiguren Vila, U.; Van Dael, M.; Lemmens, B.; Van Passel, S.
Title A techno-economic assessment of an algal-based biorefinery Type A1 Journal article
Year (down) 2016 Publication Clean Technologies And Environmental Policy Abbreviated Journal Clean Technol Envir
Volume 18 Issue 6 Pages 1849-1862
Keywords A1 Journal article; Economics; Engineering sciences. Technology; Engineering Management (ENM)
Abstract Economic and technological assessments have identified difficulties with the commercialization of bulk products from microalgae, like biofuels. To overcome these problems, a multi-product algal-based biorefinery has been proposed. This paper performs a techno-economic assessment of such a biorefinery. Four production pathways, ranging from a base case with commercial technologies to an improved case with innovative technologies, are analyzed. All region-specific parameters were adapted to Belgian conditions. Three scenarios result in techno-economically viable production plants. The most profitable scenario is the scenario which uses a specialized membrane for medium recycling and an open pond algae cultivation. Although the inclusion of a photobioreactor decreases the culture medium costs, the higher investment costs result in lower economic profits. The carotenoid content and price are identified as critical parameters. Furthermore, the economies of scale assumption for the photobioreactor is critical for the feasibility of this cultivation technology. The techno-economic assessment is an important methodology to guide and evaluate further improvements in research and shorten the time-to-market for innovative technologies in this field.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000384470700017 Publication Date 2016-03-26
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1618-954x ISBN Additional Links UA library record; WoS full record; WoS citing articles; WoS full record; WoS citing articles
Impact Factor 3.331 Times cited 24 Open Access
Notes ; We would like to thank Herman Beckers, Metin Bulut, Frans Snijkers, Joris van der Have, Jan Vanderheyden, Leen Bastiaens, and Lies Eykens for the provision of technological and economic data and the useful discussions on the assumptions in the model. We would also like to thank Eva Cordery for proofreading the article and the anonymous reviewers for their valuable feedback and suggestions. Furthermore, we gratefully acknowledge the financial support of the Fundacion Novia Salcedo. ; Approved Most recent IF: 3.331
Call Number UA @ admin @ c:irua:139027 Serial 6262
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Author Voss, A.; Wei, H.Y.; Zhang, Y.; Turner, S.; Ceccone, G.; Reithmaier, J.P.; Stengl, M.; Popov, C.
Title Strong attachment of circadian pacemaker neurons on modified ultrananocrystalline diamond surfaces Type A1 Journal article
Year (down) 2016 Publication Materials science and engineering: part C: biomimetic materials Abbreviated Journal Mat Sci Eng C-Mater
Volume 64 Issue 64 Pages 278-285
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Diamond is a promising material for a number of bio-applications, including the fabrication of platforms for attachment and investigation of neurons and of neuroprostheses, such as retinal implants. In the current work ultrananocrystalline diamond (UNCD) films were deposited by microwave plasma chemical vapor deposition, modified by UV/O-3 treatment or NH3 plasma, and comprehensively characterized with respect to their bulk and surface properties, such as crystallinity, topography, composition and chemical bonding nature. The interactions of insect circadian pacemaker neurons with UNCD surfaces with H-, O- and NH2-terminations were investigated with respect to cell density and viability. The fast and strong attachment achieved without application of adhesion proteins allowed for advantageous modification of dispersion protocols for the preparation of primary cell cultures. Centrifugation steps, which are employed for pelletizing dispersed cells to separate them from dispersing enzymes, easily damage neurons. Now centrifugation can be avoided since dispersed neurons quickly and strongly attach to the UNCD surfaces. Enzyme solutions can be easily washed off without losing many of the dispersed cells. No adverse effects on the cell viability and physiological responses were observed as revealed by calcium imaging. Furthermore, the enhanced attachment of the neurons, especially on the modified UNCD surfaces, was especially advantageous for the immunocytochemical procedures with the cell cultures. The cell losses during washing steps were significantly reduced by one order of magnitude in comparison to controls. In addition, the integration of a titanium grid structure under the UNCD films allowed for individual assignment of physiologically characterized neurons to immunocytochemically stained cells. Thus, employing UNCD surfaces free of foreign proteins improves cell culture protocols and immunocytochemistry with cultured cells. The fast and strong attachment of neurons was attributed to a favorable combination of topography, surface chemistry and wettability. (C) 2016 Elsevier B.V. All rights reserved.
Address
Corporate Author Thesis
Publisher Place of Publication Lausanne Editor
Language Wos 000376547700033 Publication Date 2016-03-26
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0928-4931 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.164 Times cited 7 Open Access
Notes Approved Most recent IF: 4.164
Call Number UA @ lucian @ c:irua:134164 Serial 4251
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Author Lemoine, G.; Delannay, L.; Idrissi, H.; Colla, M.-S.; Pardoen, T.
Title Dislocation and back stress dominated viscoplasticity in freestanding sub-micron Pd films Type A1 Journal article
Year (down) 2016 Publication Acta materialia Abbreviated Journal Acta Mater
Volume 111 Issue 111 Pages 10-21
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract A dislocation-based crystal plasticity model is developed in order to study the mechanical and creep/ relaxation behaviour of polycrystalline metallic thin films. The model accounts for the confinement of plasticity due to grain boundaries and for the anisotropy of individual grains, as well as for the significant viscoplastic effects associated to dislocation dominated thermally activated mechanisms. Numerical predictions are assessed based on experimental tensile test followed by relaxation on freestanding Pd films, based on an on-chip test technique. The dislocation-based mechanism assumption captures all the experimental trends, including the stress strain response, the relaxation behaviour and the dislocation density evolution, confirming the dominance of a dislocation driven deformation mechanism for the present Pd films with high defects density. The model has also been used to address some original experimental evidences involving back stresses, Bauschinger effect, backward creep and strain recovery. (C) 2016 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.
Address
Corporate Author Thesis
Publisher Place of Publication Oxford Editor
Language Wos 000375812100002 Publication Date 2016-03-26
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1359-6454 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 5.301 Times cited 6 Open Access
Notes Approved Most recent IF: 5.301
Call Number UA @ lucian @ c:irua:133636 Serial 4162
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