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Author McCalla, E.; Abakumov, A.M.; Saubanere, M.; Foix, D.; Berg, E.J.; Rousse, G.; Doublet, M.-L.; Gonbeau, D.; Novak, P.; Van Tendeloo, G.; Dominko, R.; Tarascon, J.-M. pdf  doi
openurl 
  Title Visualization of O-O peroxo-like dimers in high-capacity layered oxides for Li-ion batteries Type A1 Journal article
  Year (down) 2015 Publication Science Abbreviated Journal Science  
  Volume 350 Issue 350 Pages 1516-1521  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract Lithium-ion (Li-ion) batteries that rely on cationic redox reactions are the primary energy source for portable electronics. One pathway toward greater energy density is through the use of Li-rich layered oxides. The capacity of this class of materials (>270 milliampere hours per gram) has been shown to be nested in anionic redox reactions, which are thought to form peroxo-like species. However, the oxygen-oxygen (O-O) bonding pattern has not been observed in previous studies, nor has there been a satisfactory explanation for the irreversible changes that occur during first delithiation. By using Li2IrO3 as a model compound, we visualize the O-O dimers via transmission electron microscopy and neutron diffraction. Our findings establish the fundamental relation between the anionic redox process and the evolution of the O-O bonding in layered oxides.  
  Address College de France, Chimie du Solide et de l'Energie, FRE 3677, 11 Place Marcelin Berthelot, 75231 Paris Cedex 05, France. ALISTORE-European Research Institute, FR CNRS 3104, 80039 Amiens, France. Reseau sur le Stockage Electrochimique de l'Energie (RS2E), FR CNRS 3459, France. Sorbonne Universites-UPMC Univ Paris 06, 4 Place Jussieu, F-75005 Paris, France. jean-marie.tarascon@college-de-france.fr  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language English Wos 000366591100056 Publication Date 2015-12-17  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0036-8075 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 37.205 Times cited 281 Open Access  
  Notes E.M. thanks the Fonds de Recherche du Québec–Nature et Technologies and ALISTORE–European Research Institute for funding this work, as well as the European community I3 networks for funding the neutron scattering research trip. This work was also funded by the Slovenian Research Agency research program P2-0148. This work is partially based on experiments performed at the Institut Laue Langevin. We thank J. Rodriguez-Carvajal for help with neutron scattering experiments and for fruitful discussions. We also thank M. T. Sougrati for performing the Sn-Mössbauer measurements. Use of the Advanced Photon Source at Argonne National Laboratory was supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under contract no. DE-AC02- 06CH11357. M.S. and M.-L.D. acknowledge high-performance computational resources from GENCI-CCRT/CINES (grant cmm6691). J.-M.T. acknowledges funding from the European Research Council (ERC) (FP/2014-2020)/ERC Grant-Project670116-ARPEMA. Approved Most recent IF: 37.205; 2015 IF: 33.611  
  Call Number c:irua:130202 Serial 4005  
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Author De Backer, A.; De Wael, A.; Gonnissen, J.; Martinez, G.T.; Béché, A.; MacArthur, K.E.; Jones, L.; Nellist, P.D.; Van Aert, S. pdf  url
doi  openurl
  Title Quantitative annular dark field scanning transmission electron microscopy for nanoparticle atom-counting: What are the limits? Type P1 Proceeding
  Year (down) 2015 Publication Journal of physics : conference series Abbreviated Journal  
  Volume 644 Issue 644 Pages 012034  
  Keywords P1 Proceeding; Electron microscopy for materials research (EMAT)  
  Abstract Quantitative atomic resolution annular dark field scanning transmission electron microscopy (ADF STEM) has become a powerful technique for nanoparticle atom-counting. However, a lot of nanoparticles provide a severe characterisation challenge because of their limited size and beam sensitivity. Therefore, quantitative ADF STEM may greatly benefit from statistical detection theory in order to optimise the instrumental microscope settings such that the incoming electron dose can be kept as low as possible whilst still retaining single-atom precision. The principles of detection theory are used to quantify the probability of error for atom-counting. This enables us to decide between different image performance measures and to optimise the experimental detector settings for atom-counting in ADF STEM in an objective manner. To demonstrate this, ADF STEM imaging of an industrial catalyst has been conducted using the near-optimal detector settings. For this experiment, we discussed the limits for atom-counting diagnosed by combining a thorough statistical method and detailed image simulations.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000366826200034 Publication Date 2015-10-13  
  Series Editor Series Title Abbreviated Series Title Electron Microscopy and Analysis Group Conference (EMAG), JUN 02-JUL 02, 2015, Manchester, ENGLAND  
  Series Volume Series Issue Edition  
  ISSN 1742-6588 ISBN Additional Links UA library record; WoS full record  
  Impact Factor Times cited Open Access  
  Notes The authors acknowledge financial support from the Research Foundation Flanders (FWO, Belgium) through project funding (G.0368.15N, G.0369.15N, and G.0374.15N) and a PhD research grant to A De Backer. The research leading to these results has received funding from the European Union Seventh Framework Programme under Grant Agreement 312483 – ESTEEM2 (Integrated Infrastructure Initiative-I3), ERC Starting Grant 278510 Vortex, and the UK Engineering and Physical Sciences Research Council (EP/K032518/1). The authors acknowledge Johnson-Matthey for providing the sample and PhD funding to K E MacArthur. A Rosenauer is acknowledged for providing the STEMsim program.; esteem2jra2; ECASJO; Approved Most recent IF: NA  
  Call Number c:irua:130314 c:irua:130314 Serial 4050  
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Author Barreca, D.; Carraro, G.; Gasparotto, A.; Maccato, C.; Warwick, M.E.A.; Turner, S.; Van Tendeloo, G. pdf  doi
openurl 
  Title Fabrication and Characterization of Fe2O3-Based Nanostructures Functionalized with Metal Particles and Oxide Overlayers Type A1 Journal article
  Year (down) 2015 Publication Journal of advanced microscopy research Abbreviated Journal  
  Volume 10 Issue 10 Pages 239-243  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract We report on the design of nanosystems based on functionalized -Fe 2 O 3 nanostructures supported on fluorine-doped tin oxide (FTO) substrates. The target materials were developed by means of hybrid vapor phase approaches, combining plasma assisted-chemical vapor deposition (PA-CVD) for the production of iron(III) oxide systems and the subsequent radio frequency (RF)-sputtering or atomic layer deposition (ALD) for the functionalization with Au nanoparticles or TiO 2 overlayers, respectively. The interplay between material characteristics and the adopted processing parameters was investigated by complementary analytical techniques, encompassing X-ray photoelectron spectroscopy (XPS), field emission-scanning electron microscopy (FE-SEM), high angle annular dark field-scanning transmission electron microscopy (HAADF-STEM), and energy dispersive X-ray spectroscopy (EDXS). The obtained results highlight the possibility of fabricating Au/ -Fe 2 O 3 nanocomposites, with a controlled dispersion and distribution of metal particles, and TiO 2 / -Fe 2 O 3 heterostructures, characterized by an intimate coupling between the constituent oxides.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos Publication Date 2015-12-01  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2156-7573 ISBN Additional Links UA library record  
  Impact Factor Times cited Open Access  
  Notes The authors acknowledge the financial support under the FP7 project “SOLARO- GENIX” (NMP4-SL-2012-310333), as well as Padova University ex-60% 2012–2015 projects, grant n CPDR132937/13 (SOLLEONE), and Regione Lombardia- INSTM ATLANTE program. Stuart Turner acknowledges the FWO Flanders for a post-doctoral scholarship. Thanks are also due to Dr. L. Borgese and Prof. E. Bontempi (Chemistry for Technologies Laboratory, Brescia Univer- sity, Italy) for precious assistance in ALD experiments. Approved Most recent IF: NA  
  Call Number EMAT @ emat @ c:irua:132798 Serial 4058  
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Author Batuk, D.; Batuk, M.; Tsirlin, A.A.; Hadermann, J.; Abakumov, A.M. pdf  url
doi  openurl
  Title Trapping of Oxygen Vacancies at Crystallographic Shear Planes in Acceptor-Doped Pb-Based Ferroelectrics Type A1 Journal article
  Year (down) 2015 Publication Angewandte Chemie: international edition in English Abbreviated Journal Angew Chem Int Edit  
  Volume 54 Issue 54 Pages 14787-14790  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract The defect chemistry of the ferroelectric material PbTiO3 after doping with Fe(III) acceptor ions is reported. Using advanced transmission electron microscopy and powder X-ray and neutron diffraction, we demonstrate that even at concentrations as low as circa 1.7% (material composition approximately ABO2.95), the oxygen vacancies are trapped into extended planar defects, specifically crystallographic shear planes. We investigate the evolution of these defects upon doping and unravel their detailed atomic structure using the formalism of superspace crystallography, thus unveiling their role in nonstoichiometry in the Pb-based perovskites.  
  Address Chemistry Department, Moscow State University, 119991, Moscow (Russia). artem.abakumov@uantwerpen.be  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language English Wos 000367723400031 Publication Date 2015-10-21  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1433-7851 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 11.994 Times cited 3 Open Access  
  Notes A.M.A. is grateful to the Russian Science Foundation (grant 14-13-00680). AT was funded by the Mobilitas grant MTT77 of the ESF and by the Federal Ministry for Education and Research through the Sofja Kovalevskaya Award of Alexander von Humboldt Foundation. Approved Most recent IF: 11.994; 2015 IF: 11.261  
  Call Number c:irua:131104 Serial 4080  
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Author Juchtmans, R.; Verbeeck, J. url  doi
openurl 
  Title Orbital angular momentum in electron diffraction and its use to determine chiral crystal symmetries Type A1 Journal article
  Year (down) 2015 Publication Physical review: B: condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 92 Issue 92 Pages 134108  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract In this work we present an alternative way to look at electron diffraction in a transmission electron microscope.

Instead of writing the scattering amplitude in Fourier space as a set of plane waves,we use the cylindrical Fourier transform to describe the scattering amplitude in a basis of orbital angular momentum (OAM) eigenstates. We show how working in this framework can be very convenient when investigating, e.g., rotation and screw-axis symmetries. For the latter we find selection rules on the OAM coefficients that unambiguously reveal the handedness of the screw axis. Detecting the OAM coefficients of the scattering amplitude thus offers the possibility to detect the handedness of crystals without the need for dynamical simulations, the thickness of the sample, nor the exact crystal structure. We propose an experimental setup to measure the OAM components where an image of the crystal is taken after inserting a spiral phase plate in the diffraction plane and perform multislice simulations on α quartz to demonstrate how the method indeed reveals the chirality. The experimental feasibility of the technique is discussed together with its main advantages with respect to chirality determination of screw axes. The method shows how the use of a spiral phase plate can be extended from a simple phase imaging technique to a tool to measure the local OAM decomposition of an electron wave, widening the field of interest well beyond chiral space group determination.
 
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000362893100002 Publication Date 2015-10-14  
  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 16 Open Access  
  Notes The authors acknowledge support from the FWO (As- pirant Fonds Wetenschappelijk Onderzoek–Vlaanderen), the EU under the Seventh Framework Program (FP7) under a contract for an Integrated Infrastructure Initiative, Reference No. 312483-ESTEEM2, and ERC Starting Grant No. 278510 VORTEX; esteem2jra1; ECASJO; Approved Most recent IF: 3.836; 2015 IF: 3.736  
  Call Number c:irua:129417 c:irua:129417UA @ admin @ c:irua:129417 Serial 4089  
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Author Zhong, R.; Peng, L.; de Clippel, F.; Gommes, C.; Goderis, B.; Ke, X.; Van Tendeloo, G.; Jacobs, P.A.; Sels, B.F. pdf  doi
openurl 
  Title An eco-friendly soft template synthesis of mesostructured silica-carbon nanocomposites for acid catalysis Type A1 Journal article
  Year (down) 2015 Publication ChemCatChem Abbreviated Journal Chemcatchem  
  Volume 7 Issue 7 Pages 3047-3058  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract The synthesis of ordered mesoporous silica-carbon composites was explored by employing TEOS and sucrose as the silica and carbon precursor respectively, and the triblock copolymer F127 as a structure-directing agent via an evaporation-induced self-assembly (EISA) process. It is demonstrated that the synthesis procedures allow for control of the textural properties and final composition of these silica-carbon nanocomposites via adjustment of the effective SiO2/C weight ratio. Characterization by SAXS, N-2 physisorption, HRTEM, TGA, and C-13 and Si-29 solid-state MAS NMR show a 2D hexagonal mesostructure with uniform large pore size ranging from 5.2 to 7.6nm, comprising of separate carbon phases in a continuous silica phase. Ordered mesoporous silica and non-ordered porous carbon can be obtained by combustion of the pyrolyzed nanocomposites in air or etching with HF solution, respectively. Sulfonic acid groups can be readily introduced to such kind of silica-carbon nanocomposites by a standard sulfonation procedure with concentrated sulfuric acid. Excellent acid-catalytic activities and selectivities for the dimerization of styrene to produce 1,3-diphenyl-1-butene and dimerization of -methylstyrene to unsaturated dimers were demonstrated with the sulfonated materials.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000361189400037 Publication Date 2015-09-03  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1867-3880; 1867-3899 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 4.803 Times cited 13 Open Access  
  Notes Approved Most recent IF: 4.803; 2015 IF: 4.556  
  Call Number UA @ lucian @ c:irua:127836 Serial 4138  
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Author Kurttepeli, M. url  openurl
  Title Carbon based materials and hybrid nanostructures investigated by advanced transmission electron microscopy Type Doctoral thesis
  Year (down) 2015 Publication Abbreviated Journal  
  Volume Issue Pages  
  Keywords Doctoral thesis; Electron microscopy for materials research (EMAT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Antwerpen Editor  
  Language Wos Publication Date  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN ISBN Additional Links UA library record  
  Impact Factor Times cited Open Access  
  Notes Approved Most recent IF: NA  
  Call Number UA @ lucian @ c:irua:130502 Serial 4145  
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Author Van Aelst, J.; Verboekend, D.; Philippaerts, A.; Nuttens, N.; Kurttepeli, M.; Gobechiya, E.; Haouas, M.; Sree, S.P.; Denayer, J.F.M.; Martens, J.A.; Kirschhock, C.E.A.; Taulelle, F.; Bals, S.; Baron, G.V.; Jacobs, P.A.; Sels, B.F. pdf  url
doi  openurl
  Title Catalyst design by NH4OH treatment of USY zeolite Type A1 Journal article
  Year (down) 2015 Publication Advanced functional materials Abbreviated Journal Adv Funct Mater  
  Volume 25 Issue 25 Pages 7130-7144  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract Hierarchical zeolites are a class of superior catalysts which couples the intrinsic zeolitic properties to enhanced accessibility and intracrystalline mass transport to and from the active sites. The design of hierarchical USY (Ultra-Stable Y) catalysts is achieved using a sustainable postsynthetic room temperature treatment with mildly alkaline NH4OH ( 0.02(M)) solutions. Starting from a commercial dealuminated USY zeolite (Si/Al = 47), a hierarchical material is obtained by selective and tuneable creation of interconnected and accessible small mesopores (2- 6 nm). In addition, the treatment immediately yields the NH4+ form without the need for additional ion exchange. After NH4OH modification, the crystal morphology is retained, whereas the microporosity and relative crystallinity are decreased. The gradual formation of dense amorphous phases throughout the crystal without significant framework atom leaching rationalizes the very high material yields (>90%). The superior catalytic performance of the developed hierarchical zeolites is demonstrated in the acid-catalyzed isomerization of alpha-pinene and the metal-catalyzed conjugation of safflower oil. Significant improvements in activity and selectivity are attained, as well as a lowered susceptibility to deactivation. The catalytic performance is intimately related to the introduced mesopores, hence enhanced mass transport capacity, and the retained intrinsic zeolitic properties.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Weinheim Editor  
  Language Wos 000366503700003 Publication Date 2015-10-30  
  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 64 Open Access OpenAccess  
  Notes ; The authors thank Dr. M. Thommes and Dr. K. Cychosz for numerous and helpful discussions on the correct evaluation of the Ar isotherms. I. Cuppens is acknowledged for ICP-AES analyses. Research was funded through a PhD grant to J.V.A. of the Agency for Innovation by Science and Technology in Flanders (IWT). D.V. and A.P. acknowledge F.W.O.-Vlaanderen (Research Foundation Flanders) for a postdoctoral fellowship. N.N. thanks the KU Leuven for financial support (FLOF). E.G., C.K., and J.M. acknowledge the long-term structural funding by the Flemish Government (Methusalem). S.B. acknowledges the European Research Council for funding under the European Union's Seventh Framework Programme (FP7/2007-2013)/ERC grant agreement No. 335078-COLOURATOMS. The authors are grateful for financial support by the Belgian government through Interuniversity Attraction Poles (IAP-PAI). They also thank Oleon NV for supplying safflower oil. ; ecas_Sara Approved Most recent IF: 12.124; 2015 IF: 11.805  
  Call Number UA @ lucian @ c:irua:130214 Serial 4147  
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Author Semkina, A.; Abakumov, M.; Grinenko, N.; Abakumov, A.; Skorikov, A.; Mironova, E.; Davydova, G.; Majouga, A.G.; Nukolova, N.; Kabanov, A.; Chekhonin, V.; pdf  doi
openurl 
  Title Core-shell-corona doxorubicin-loaded superparamagnetic Fe3O4 nanoparticles for cancer theranostics Type A1 Journal article
  Year (down) 2015 Publication Colloids and surfaces: B : biointerfaces Abbreviated Journal Colloid Surface B  
  Volume 136 Issue 136 Pages 1073-1080  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract Superparamagnetic iron oxide magnetic nanoparticles (MNPs) are successfully used as contrast agents in magnetic-resonance imaging. They can be easily functionalized for drug delivery functions, demonstrating great potential for both imaging and therapeutic applications. Here we developed new pH-responsive theranostic core-shell-corona nanoparticles consisting of superparamagentic Fe3O4 core that displays high T2 relaxivity, bovine serum albumin (BSA) shell that binds anticancer drug, doxorubicin (Dox) and poly(ethylene glycol) (PEG) corona that increases stability and biocompatibility. The nanoparticles were produced by adsorption of the BSA shell onto the Fe3O4 core followed by crosslinking of the protein layer and subsequent grafting of the PEG corona using monoamino-terminated PEG via carbodiimide chemistry. The hydrodynamic diameter, zeta-potential, composition and T2 relaxivity of the resulting nanoparticles were characterized using transmission electron microscopy, dynamic light scattering, thermogravimetric analysis and T2-relaxometry. Nanoparticles were shown to absorb Dox molecules, possibly through a combination of electrostatic and hydrophobic interactions. The loading capacity (LC) of the nanoparticles was 8 wt.%. The Dox loaded nanoparticles release the drug at a higher rate at pH 5.5 compared to pH 7.4 and display similar cytotoxicity against C6 and HEK293 cells as the free Dox. (C) 2015 Elsevier B.V. All rights reserved.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Amsterdam Editor  
  Language Wos 000367408100131 Publication Date 2015-11-10  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0927-7765 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.887 Times cited 37 Open Access  
  Notes Approved Most recent IF: 3.887; 2015 IF: 4.152  
  Call Number UA @ lucian @ c:irua:131075 Serial 4157  
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Author Van Boxem, R. url  openurl
  Title Electron vortex beams : an in-depth theoretical study Type Doctoral thesis
  Year (down) 2015 Publication Abbreviated Journal  
  Volume Issue Pages  
  Keywords Doctoral thesis; Electron microscopy for materials research (EMAT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Antwerpen Editor  
  Language Wos Publication Date  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN ISBN Additional Links UA library record  
  Impact Factor Times cited Open Access  
  Notes Approved Most recent IF: NA  
  Call Number UA @ lucian @ c:irua:132968 Serial 4168  
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Author Guzzinati, G. url  openurl
  Title Exploring electron beam shaping in transmission electron microscopy Type Doctoral thesis
  Year (down) 2015 Publication Abbreviated Journal  
  Volume Issue Pages  
  Keywords Doctoral thesis; Electron microscopy for materials research (EMAT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Antwerpen Editor  
  Language Wos Publication Date  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN ISBN Additional Links UA library record  
  Impact Factor Times cited Open Access  
  Notes Approved Most recent IF: NA  
  Call Number UA @ lucian @ c:irua:130499 Serial 4180  
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Author Li, M.R.; Retuerto, M.; Deng, Z.; Stephens, P.W.; Croft, M.; Huang, Q.; Wu, H.; Deng, X.; Kotliar, G.; Sánchez-Benítez, J.; Hadermann, J.; Walker, D.; Greenblatt, M.; pdf  doi
openurl 
  Title Giant magnetoresistance in the half-metallic double-perovskite ferrimagnet Mn2FeReO6 Type A1 Journal article
  Year (down) 2015 Publication Angewandte Chemie: international edition in English Abbreviated Journal Angew Chem Int Edit  
  Volume 54 Issue 54 Pages 12069-12073  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract The first transition-metal-only double perovskite compound, Mn2+ Fe-2(3+) Re5+ O-6, with 17 unpaired d electrons displays ferrimagnetic ordering up to 520K and a giant positive magnetoresistance of up to 220% at 5K and 8 T. These properties result from the ferrimagnetically coupled Fe and Re sublattice and are affected by a two-to-one magnetic-structure transition of the Mn sublattice when a magnetic field is applied. Theoretical calculations indicate that the half-metallic state can be mainly attributed to the spin polarization of the Fe and Re sites.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Weinheim Editor  
  Language Wos 000363396000031 Publication Date 2015-08-01  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1433-7851; 0570-0833 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 11.994 Times cited Open Access  
  Notes Approved Most recent IF: 11.994; 2015 IF: 11.261  
  Call Number UA @ lucian @ c:irua:129457 Serial 4186  
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Author Gjorgievska, E.; Van Tendeloo, G.; Nicholson, J.W.; Coleman, N.J.; Slipper, I.J.; Booth, S. pdf  doi
openurl 
  Title The incorporation of nanoparticles into conventional glass-ionomer dental restorative cements Type A1 Journal article
  Year (down) 2015 Publication Microscopy and microanalysis Abbreviated Journal Microsc Microanal  
  Volume 21 Issue 21 Pages 392-406  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract Conventional glass-ionomer cements (GICs) are popular restorative materials, but their use is limited by their relatively low mechanical strength. This paper reports an attempt to improve these materials by incorporation of 10 wt% of three different types of nanoparticles, aluminum oxide, zirconium oxide, and titanium dioxide, into two commercial GICs (ChemFil((R)) Rock and EQUIA (TM) Fil). The results indicate that the nanoparticles readily dispersed into the cement matrix by hand mixing and reduced the porosity of set cements by filling the empty spaces between the glass particles. Both cements showed no significant difference in compressive strength with added alumina, and ChemFil((R)) Rock also showed no significant difference with zirconia. By contrast, ChemFil((R)) Rock showed significantly higher compressive strength with added titania, and EQUIA (TM) Fil showed significantly higher compressive strength with both zirconia and titania. Fewer air voids were observed in all nanoparticle-containing cements and this, in turn, reduced the development of cracks within the matrix of the cements. These changes in microstructure provide a likely reason for the observed increases in compressive strength, and overall the addition of nanoparticles appears to be a promising strategy for improving the physical properties of GICs.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Cambridge, Mass. Editor  
  Language Wos 000353514700014 Publication Date 2015-02-18  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1431-9276 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.891 Times cited 15 Open Access  
  Notes Approved Most recent IF: 1.891; 2015 IF: 1.877  
  Call Number UA @ lucian @ c:irua:132523 Serial 4194  
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Author Van Havenbergh, K. url  openurl
  Title Influence of silicon nanoparticle coating on the electrolyte decomposition in Li-ion batteries Type Doctoral thesis
  Year (down) 2015 Publication Abbreviated Journal  
  Volume Issue Pages  
  Keywords Doctoral thesis; Electron microscopy for materials research (EMAT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Antwerpen Editor  
  Language Wos Publication Date  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN ISBN Additional Links UA library record  
  Impact Factor Times cited Open Access  
  Notes Approved Most recent IF: NA  
  Call Number UA @ lucian @ c:irua:131647 Serial 4196  
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Author Lobato, I.; Van Dyck, D. pdf  doi
openurl 
  Title MULTEM : a new multislice program to perform accurate and fast electron diffraction and imaging simulations using graphics processing units with CUDA Type A1 Journal article
  Year (down) 2015 Publication Ultramicroscopy Abbreviated Journal Ultramicroscopy  
  Volume 156 Issue 156 Pages 9-17  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Vision lab  
  Abstract The main features and the GPU implementation of the MULTEM program are presented and described. This new program performs accurate and fast multislice simulations by including higher order expansion of the multislice solution of the high energy Schrodinger equation, the correct subslicing of the three-dimensional potential and top-bottom surfaces. The program implements different kinds of simulation for CTEM, STEM, ED, PED, CBED, ADF-TEM and ABF-HC with proper treatment of the spatial and temporal incoherences. The multislice approach described here treats the specimen as amorphous material which allows a straightforward implementation of the frozen phonon approximation. The generalized transmission function for each slice is calculated when is needed and then discarded. This allows us to perform large simulations that can include millions of atoms and keep the computer memory requirements to a reasonable level. (C) 2015 Elsevier B.V. All rights reserved.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Amsterdam Editor  
  Language Wos 000361001800003 Publication Date 2015-04-28  
  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 32 Open Access  
  Notes Approved Most recent IF: 2.843; 2015 IF: 2.436  
  Call Number UA @ lucian @ c:irua:127848 Serial 4209  
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Author Deyneko, D.V.; Morozov, V.A.; Hadermann, J.; Savon, A.E.; Spassky, D.A.; Stefanovich, S.Y.; Belik, A.A.; Lazoryak, B.I. pdf  doi
openurl 
  Title A novel red Ca8.5Pb0.5Eu(PO4)7 phosphor for light emitting diodes application Type A1 Journal article
  Year (down) 2015 Publication Journal of alloys and compounds Abbreviated Journal J Alloy Compd  
  Volume 647 Issue 647 Pages 965-972  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract Ca9-xPbxEu(PO4)(7) (0 <= x <= 1) solid solutions with a whitlockite-type (or beta-Ca-3(PO4)(2)-type) structure (sp.gr. R3c) were prepared by a standard solid-state method in air. Their luminescent properties under near-ultraviolet (n-UV) light were investigated. Excitation spectra of Ca9-xPbxEu(PO4)(7) showed the strongest absorption at about 395 nm, which matches well with commercially available n-UV-emitting GaN-based LED chips. Emission spectra indicated an intense red emission due to the D-5(0) -> F-7(2) transition of Eu3+, with a maximum in the intensity for Ca8.5Pb0.5Eu(PO4)(7). The emission intensity of Ca8.5Pb0.5Eu(PO4)(7) was about 1.8 times higher than that of a Ca9Eu(PO4)(7) phosphor. We suggest that the introduction of Pb2+ is an efficient approach to enhance luminescence properties of such phosphors. We clarified the influence of the Ca2+/Pb2+ substitution on intensities of three bands for the D-5(0) -> F-7(0) transition in excitation spectra of Ca9-xPbxEu(PO4)(7). In addition, we found a reversible first-order phase transition from R3c to R (3) over barc symmetry by second-harmonic generation in the range from 753 K (x = 1) to 846 K (x = 0). (C) 2015 Elsevier B.V. All rights reserved.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Amsterdam Editor  
  Language Wos 000361156400135 Publication Date 2015-06-18  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0925-8388 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.133 Times cited 18 Open Access  
  Notes Approved Most recent IF: 3.133; 2015 IF: 2.999  
  Call Number UA @ lucian @ c:irua:128720 Serial 4215  
Permanent link to this record
 

 
Author Sun, Z.; Madej, E.; Wiktor; Sinev, I.; Fischer, R.A.; Van Tendeloo, G.; Muhler, M.; Schuhmann, W.; Ventosa, E. pdf  doi
openurl 
  Title One-pot synthesis of carbon-coated nanostructured iron oxide on few-layer graphene for lithium-ion batteries Type A1 Journal article
  Year (down) 2015 Publication Chemistry: a European journal Abbreviated Journal Chem-Eur J  
  Volume 21 Issue 21 Pages 16154-16161  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract Nanostructure engineering has been demonstrated to improve the electrochemical performance of iron oxide based electrodes in Li-ion batteries (LIBs). However, the synthesis of advanced functional materials often requires multiple steps. Herein, we present a facile one-pot synthesis of carbon-coated nanostructured iron oxide on few-layer graphene through high-pressure pyrolysis of ferrocene in the presence of pristine graphene. The ferrocene precursor supplies both iron and carbon to form the carbon-coated iron oxide, while the graphene acts as a high-surface-area anchor to achieve small metal oxide nanoparticles. When evaluated as a negative-electrode material for LIBs, our composite showed improved electrochemical performance compared to commercial iron oxide nanopowders, especially at fast charge/discharge rates.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Weinheim Editor  
  Language Wos 000363890700036 Publication Date 2015-09-11  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0947-6539 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 5.317 Times cited 8 Open Access  
  Notes Approved Most recent IF: 5.317; 2015 IF: 5.731  
  Call Number UA @ lucian @ c:irua:129510 Serial 4218  
Permanent link to this record
 

 
Author Forsh, E.A.; Abakumov, A.M.; Zaytsev, V.B.; Konstantinova, E.A.; Forsh, P.A.; Rumyantseva, M.N.; Gaskov, A.M.; Kashkarov, P.K. pdf  doi
openurl 
  Title Optical and photoelectrical properties of nanocrystalline indium oxide with small grains Type A1 Journal article
  Year (down) 2015 Publication Thin solid films : an international journal on the science and technology of thin and thick films Abbreviated Journal Thin Solid Films  
  Volume 595 Issue 595 Pages 25-31  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract Optical properties, spectral dependence of photoconductivity and photoconductivity decay in nanocrystalline indium oxide In2O3 are studied. A number of nanostructured In2O3 samples with various nanocrystals size are prepared by sol-gel method and characterized using various techniques. The mean nanocrystals size varies from 7 to 8 nm to 39-41 nm depending on the preparation conditions. Structural characterization of the In2O3 samples is performed by means of transmission electron microscopy and X-ray powder diffraction. The combined analysis of ultraviolet-visible absorption spectroscopy and diffuse reflectance spectroscopy shows that nanostructuring leads to the change in optical band gap: optical band gap of the In2O3 samples (with an average nanocrystal size from 7 to 41 nm) is equal to 2.8 eV. We find out the correlation between spectral dependence of photoconductivity and optical properties of nanocrystalline In2O3: sharp increase in photoconductivity was observed to begin at 2.8 eV that is equal to the optical bandgap in the In2O3 samples, and reached its maximum at 3.2-3.3 eV. The combined analysis of the slow photoconductivity decay in air, vacuum and argon, that was accurately fitted by a stretched-exponential function, and electron paramagnetic resonance (EPR) measurements shows that the kinetics of photoconductivity decay is strongly depended on the presence of oxygen molecules in the ambient of In2O3 nanocrystals. There is the quantitative correlation between EPR and photoconductivity data. Based on the obtained data we propose the model clearing up the phenomenon of permanent photoconductivity decay in nanocrystalline In2O3. (C) 2015 Elsevier B.V. All rights reserved.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Lausanne Editor  
  Language Wos 000365812400005 Publication Date 2015-10-27  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0040-6090 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.879 Times cited 18 Open Access  
  Notes Approved Most recent IF: 1.879; 2015 IF: 1.759  
  Call Number UA @ lucian @ c:irua:130254 Serial 4219  
Permanent link to this record
 

 
Author Brammertz, G.; Buffiere, M.; Verbist, C.; Bekaert, J.; Batuk, M.; Hadermann, J.; et al. openurl 
  Title Process variability in Cu2ZnSnSe4 solar cell devices: Electrical and structural investigations Type P1 Proceeding
  Year (down) 2015 Publication The conference record of the IEEE Photovoltaic Specialists Conference T2 – IEEE 42nd Photovoltaic Specialist Conference (PVSC), JUN 14-19, 2015, New Orleans, LA Abbreviated Journal  
  Volume Issue Pages  
  Keywords P1 Proceeding; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)  
  Abstract We have fabricated 9.7% efficient Cu2ZnSnSe4/CdS/ZnO solar cells by H2Se selenization of sequentially sputtered metal layers. Despite the good efficiency obtained, process control appears to be difficult. In the present contribution we compare the electrical and physical properties of two devices with nominal same fabrication procedure, but 1% and 9.7% power conversion efficiency respectively. We identify the problem of the lower performing device to be the segregation of ZnSe phases at the backside of the sample. This ZnSe seems to be the reason for the strong bias dependent photocurrent observed in the lower performing devices, as it adds a potential barrier for carrier collection. The reason for the different behavior of the two nominally same devices is not fully understood, but speculated to be related to sputtering variability.  
  Address  
  Corporate Author Thesis  
  Publisher Ieee Place of Publication New york Editor  
  Language Wos Publication Date  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 978-1-4799-7944-8 ISBN Additional Links UA library record; WoS full record  
  Impact Factor Times cited Open Access  
  Notes Approved Most recent IF: NA  
  Call Number UA @ lucian @ c:irua:132335 Serial 4229  
Permanent link to this record
 

 
Author Gorle, C.; Garcia Sánchez, C.; Iaccarino, G. pdf  doi
openurl 
  Title Quantifying inflow and RANS turbulence model form uncertainties for wind engineering flows Type A1 Journal article
  Year (down) 2015 Publication Journal of wind engineering and industrial aerodynamics T2 – 6th International Symposium on Computational Wind Engineering (CWE), JUN 08-12, 2014, Hamburg, GERMANY Abbreviated Journal J Wind Eng Ind Aerod  
  Volume 144 Issue 144 Pages 202-212  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract Reynolds-averaged Navier-Stokes (RANS) simulations are often used in the wind engineering practice for the analysis of turbulent bluff body flows. An approach that allows identifying the uncertainty related to the use of reduced-order turbulence models in RANS simulations would significantly increase the confidence in the use of simulation results as a basis for design decisions. In the present study we apply a strategy that enables quantifying these uncertainties by introducing perturbations in the Reynolds stress tensor to simulations of the flow in downtown Oklahoma City. The method is combined with a framework to quantify uncertainties in the inflow wind direction and intensity, and the final result of the UQ approach is compared to field measurement data for the velocity at 13 locations in the downtown area. (C) 2015 Elsevier Ltd. All rights reserved.  
  Address  
  Corporate Author Thesis  
  Publisher Elsevier science bv Place of Publication Amsterdam Editor  
  Language Wos 000360874900023 Publication Date 2015-08-18  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0167-6105 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.049 Times cited 22 Open Access  
  Notes Approved Most recent IF: 2.049; 2015 IF: 1.414  
  Call Number UA @ lucian @ c:irua:127843 Serial 4230  
Permanent link to this record
 

 
Author Ercolani, G.; Gorle, C.; Garcia Sánchez, C.; Corbari, C.; Mancini, M. pdf  doi
openurl 
  Title RAMS and WRF sensitivity to grid spacing in large-eddy simulations of the dry convective boundary layer Type A1 Journal article
  Year (down) 2015 Publication Computers and fluids Abbreviated Journal Comput Fluids  
  Volume 123 Issue 123 Pages 54-71  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract Large-eddy simulations (LESS) are frequently used to model the planetary boundary layer, and the choice of the grid cell size, numerical schemes and sub grid model can significantly influence the simulation results. In the present paper the impact of grid spacing on LES of an idealized atmospheric convective boundary layer (CBL), for which the statistics and flow structures are well understood, is assessed for two mesoscale models: the Regional Atmospheric Modeling System (RAMS) and the Weather Research and Forecasting model (WRF). Nine simulations are performed on a fixed computational domain (6 x 6 x 2 km), combining three different horizontal (120, 60, 30 m) and vertical (20, 10, 5 m) spacings. The impact of the cell size on the CBL is investigated by comparing turbulence statistics and velocity spectra. The results demonstrate that both WRF and RAMS can perform LES of the CBL under consideration without requiring extremely high computational loads, but they also indicate the importance of adopting a computational grid that is adequate for the numerical schemes and subgrid models used. In both RAMS and WRF a horizontal cell size of 30 m is required to obtain a suitable turbulence reproduction throughout the CBL height. Considering the vertical grid spacing, WRF produced similar results for all the three tested values, while in RAMS it should be ensured that the aspect ratio of the cells does not exceed a value of 3. The two models were found to behave differently in function of the grid resolution, and they have different shortcomings in their prediction of CBL turbulence. WRF exhibits enhanced damping at the smallest scales, while RAMS is prone to the appearance of spurious fluctuations in the flow when the grid aspect ratio is too high. (C) 2015 Elsevier Ltd. All rights reserved.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Oxford Editor  
  Language Wos 000365367500006 Publication Date 2015-10-08  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0045-7930 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.313 Times cited 3 Open Access  
  Notes Approved Most recent IF: 2.313; 2015 IF: 1.619  
  Call Number UA @ lucian @ c:irua:130200 Serial 4236  
Permanent link to this record
 

 
Author Venturi, F.; Calizzi, M.; Bals, S.; Perkisas, T.; Pasquini, L. pdf  doi
openurl 
  Title Self-assembly of gas-phase synthesized magnesium nanoparticles on room temperature substrates Type A1 Journal article
  Year (down) 2015 Publication Materials research express Abbreviated Journal Mater Res Express  
  Volume 2 Issue 2 Pages 015007  
  Keywords A1 Journal article; Engineering Management (ENM); Electron microscopy for materials research (EMAT)  
  Abstract Magnesium nanoparticles (NPs) with initial size in the 10-50 nmrange were synthesized by inert gas condensation under helium flow and deposited on room temperature substrates. The morphology and crystal structure of the NPs ensemble were investigated as a function of the deposition time by complementary electron microscopy techniques, including high resolution imaging and chemical mapping. With increasing amount of material, strong coarsening phenomena were observed at room temperature: small NPs disappeared while large faceted NPs developed, leading to a 5-fold increase of the average NPs size within a few minutes. The extent of coarsening and the final morphology depended also on the nature of the substrate. Furthermore, large single-crystal NPs were seen to arise from the self-organization of primary NPs units, providing a mechanism for crystal growth. The dynamics of the self-assembly process involves the basic steps of NPs sticking, diffusion on substrate, coordinated rotation and attachment/coalescence. Key features are the surface energy anisotropy, reflected by the faceted shape of the NPs, and the low melting point of the material. The observed phenomena have strong implications in relation to the synthesis and stability of nanostructures based on Mg or other elements with similar features.  
  Address  
  Corporate Author Thesis  
  Publisher IOP Publishing Place of Publication Bristol Editor  
  Language Wos 000369978500007 Publication Date 2014-12-31  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2053-1591 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.068 Times cited 14 Open Access Not_Open_Access  
  Notes ; Financial support by COST Action MP1103 'Nanostructured Materials for Solid-State Hydrogen Storage' is gratefully acknowledged. ; Approved Most recent IF: 1.068; 2015 IF: NA  
  Call Number UA @ lucian @ c:irua:132275 Serial 4240  
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Author Bretos, I.; Schneller, T.; Falter, M.; Baecker, M.; Hollmann, E.; Woerdenweber, R.; Molina-Luna, L.; Van Tendeloo, G.; Eibl, O. doi  openurl
  Title Solution-derived YBa2Cu3O7-\delta (YBCO) superconducting films with BaZrO3 (BZO) nanodots based on reverse micelle stabilized nanoparticles Type A1 Journal article
  Year (down) 2015 Publication Journal of materials chemistry C : materials for optical and electronic devices Abbreviated Journal J Mater Chem C  
  Volume 3 Issue 3 Pages 3971-3979  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract Superconducting YBa2Cu3O7-delta (YBCO) films with artificial BaZrO3 (BZO) nanodots were prepared using a chemical solution deposition method involving hybrid solutions composed of trifluoroacetate-based YBCO precursors and reverse micelle stabilized BZO nanoparticle dispersions. Microemulsion-mediated synthesis was used to obtain nano-sized (similar to 12 nm) and mono-dispersed BZO nanoparticles that preserve their features once introduced into the YBCO solution, as revealed by dynamic light scattering. Phase pure, epitaxial YBCO films with randomly oriented BZO nanodots distributed over their whole microstructure were grown from the hybrid solutions on (100) LaAlO3 substrates. The morphology of the YBCO-BZO nanocomposite films was strongly influenced by the amount of nanoparticles incorporated into the system, with contents ranging from 5 to 40 mol%. Scanning electron microscopy showed a high density of isolated second-phase defects consisting of BZO nanodots in the nanocomposite film with 10 mol% of BZO. Furthermore, a direct observation and quantitative analysis of lattice defects in the form of interfacial edge dislocations directly induced by the BZO nanodots was evidenced by transmission electron microscopy. The superconducting properties (77 K) of the YBCO films improved considerably by the presence of such nanodots, which seem to enhance the morphology of the sample and therefore the intergranular critical properties. The incorporation of preformed second-phase defects (here, BZO) during the growth of the superconducting phase is the main innovation of this novel approach for the all-solution based low-cost fabrication of long-length coated conductors.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000352870400018 Publication Date 2015-03-06  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2050-7526; 2050-7534 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 5.256 Times cited 19 Open Access  
  Notes This work was supported by the German Federal Ministry of Economics and Technology (BMWi) contract no. 0327433A (project ELSA). L. Molina-Luna and G. Van Tendeloo acknowledge funding from the European Research Council (ERC grant no. 24691-COUNTATOMS). The authors gratefully acknowledge J. Dornseiffer for the support with preparation of the microemulsions for the BZO nanoparticles; G. Wasse for the SEM images; and T. Po¨ssinger for the preparation of the artwork. Eurotape Approved Most recent IF: 5.256; 2015 IF: 4.696  
  Call Number UA @ lucian @ c:irua:132575 Serial 4245  
Permanent link to this record
 

 
Author Lander, L.; Rousse, G.; Abakumov, A.M.; Sougrati, M.; Van Tendeloo, G.; Tarascon, J.-M. url  doi
openurl 
  Title Structural, electrochemical and magnetic properties of a novel KFeSO4F polymorph Type A1 Journal article
  Year (down) 2015 Publication Journal of materials chemistry A : materials for energy and sustainability Abbreviated Journal J Mater Chem A  
  Volume 3 Issue 3 Pages 19754-19764  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract In the quest for sustainable and low-cost positive electrode materials for Li-ion batteries, we discovered, as reported herein, a new low temperature polymorph of KFeSO4F. Contrary to the high temperature phase crystallizing in a KTiOPO4-like structure, this new phase adopts a complex layer-like structure built on FeO4F2 octahedra and SO4 tetrahedra, with potassium cations located in between the layers, as solved using neutron and synchrotron diffraction experiments coupled with electron diffraction. The detailed analysis of the structure reveals an alternation of edge-and corner-shared FeO4F2 octahedra leading to a large monoclinic cell of 1771.774(7) angstrom(3). The potassium atoms are mobile within the structure as deduced by ionic conductivity measurements and confirmed by the bond valence energy landscape approach thus enabling a partial electrochemical removal of K+ and uptake of Li+ at an average potential of 3.7 V vs. Li+/Li-0. Finally, neutron diffraction experiments coupled with SQUID measurements reveal a long range antiferromagnetic ordering of the Fe2+ magnetic moments below 22 K with a possible magnetoelectric behavior.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Cambridge Editor  
  Language Wos 000362041300018 Publication Date 2015-08-17  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2050-7488; 2050-7496 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 8.867 Times cited 11 Open Access  
  Notes Approved Most recent IF: 8.867; 2015 IF: 7.443  
  Call Number UA @ lucian @ c:irua:132566 Serial 4253  
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Author Charkin, D.O.; Akinfiev, V.S.; Alekseeva, A.M.; Batuk, M.; Abakumov, A.M.; Kazakov, S.M. doi  openurl
  Title Synthesis and cation distribution in the new bismuth oxyhalides with the Sillen-Aurivillius intergrowth structures Type A1 Journal article
  Year (down) 2015 Publication Journal of the Chemical Society : Dalton transactions Abbreviated Journal Dalton T  
  Volume 44 Issue 44 Pages 20568-20576  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract About 20 new compounds with the Sillen-Aurivillius intergrowth structure, (MeMeBi3Nb2O11X)-Me-1-Bi-2 (Me-1 = Pb, Sr, Ba; Me-2 = Ca, Sr, Ba; X = Cl, Br, I), have been prepared. They are composed of stacking of [ANb(2)O(7)] perovskite blocks, fluorite-type [M2O2] blocks and halogen sheets. The cation distribution between the fluorite and perovskite layers has been studied for Ba2Bi3Nb2O11I, Ca1.25Sr0.75Bi3Nb2O11Cl, BaCaBi3Nb2O11Br and Sr2Bi3Nb2O11Cl. The smaller Me cations tend to reside in the perovskite block while the larger ones are situated in the fluorite-type block. The distribution of the elements was confirmed for BaCaBi3Nb2O11Br using energy dispersive X-ray analysis combined with scanning transmission electron microscopy (STEM-EDX). An electron diffraction study of this compound reveals a local symmetry lowering caused by weakly correlated rotation of NbO6 octahedra. Based on our findings, we suggest a new stability criterion for mixed-layer structures, which is that net charges of any two consecutive layers do not compensate for each other and only the whole layer sequence is electroneutral.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication London Editor  
  Language Wos 000365411500036 Publication Date 2015-10-30  
  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 5 Open Access  
  Notes Approved Most recent IF: NA  
  Call Number UA @ lucian @ c:irua:130330 Serial 4256  
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Author Altantzis, T. url  openurl
  Title Three-dimensional characterization of atomic clusters, nanoparticles and their assemblies by advanced transmission electron microscopy Type Doctoral thesis
  Year (down) 2015 Publication Abbreviated Journal  
  Volume Issue Pages  
  Keywords Doctoral thesis; Electron microscopy for materials research (EMAT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Antwerpen Editor  
  Language Wos Publication Date  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN ISBN Additional Links UA library record  
  Impact Factor Times cited Open Access  
  Notes Approved Most recent IF: NA  
  Call Number UA @ lucian @ c:irua:130493 Serial 4265  
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Author Colin D. Judge, Nicolas Gauquelin, Lori Walters, Mike Wright, James I. Cole, James Madden, Gianluigi A. Botton, Malcolm Griffiths pdf  doi
openurl 
  Title Intergranular fracture in irradiated Inconel X-750 containing very high concentrations of helium and hydrogen Type A1 Journal Article
  Year (down) 2015 Publication Journal of Nuclear Materials Abbreviated Journal  
  Volume 457 Issue 457 Pages 165-172  
  Keywords A1 Journal Article; Electron Microscopy for Materials Science (EMAT) ;  
  Abstract In recent years, it has been observed that Inconel X-750 spacers in CANDU reactors exhibits lower ductility with reduced load carrying capacity following irradiation in a reactor environment. The fracture behaviour of ex-service material was also found to be entirely intergranular at high doses. The thermalized flux spectrum in a CANDU reactor leads to transmutation of 58Ni to 59Ni. The 59Ni itself has unusually high thermal neutron reaction cross-sections of the type: (n, γ), (n, p), and (n, α). The latter two reactions, in particular, contribute to a significant enhancement of the atomic displacements in addition to creating high concentrations of hydrogen and helium within the material. Microstructural examinations by transmission electron microscopy (TEM) have confirmed the presence of helium bubbles in the matrix and aligned along grain boundaries and matrix–precipitate interfaces. Helium bubble size and density are found to be highly dependent on the irradiation temperature and material microstructure; the bubbles are larger within grain boundary precipitates. TEM specimens extracted from fracture surfaces and crack tips provide information that is consistent with crack propagation along grain boundaries due to the presence of He bubbles.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000349169100022 Publication Date 2014-11-01  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN ISBN Additional Links  
  Impact Factor Times cited 29 Open Access  
  Notes Approved Most recent IF: NA  
  Call Number EMAT @ emat @ Serial 4540  
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Author Shestakov, M.V.; Meledina, M.; Turner, S.; Baekelant, W.; Verellen, N.; Chen, X.; Hofkens, J.; Van Tendeloo, G.; Moshchalkov, V.V. doi  openurl
  Title Luminescence of fixed site Ag nanoclusters in a simple oxyfluoride glass host and plasmon absorption of amorphous Ag nanoparticles in a complex oxyfluoride glass host Type P1 Proceeding
  Year (down) 2015 Publication Proceedings of the Society of Photo-optical Instrumentation Engineers T2 – 8th International Conference on Photonics, Devices, and System VI, AUG 27-29, 2014, Prague, CZECH REPUBLIC Abbreviated Journal  
  Volume Issue Pages Unsp 94501n  
  Keywords P1 Proceeding; Electron microscopy for materials research (EMAT)  
  Abstract Ag nanocluster-doped glasses have been prepared by a conventional melt-quenching method. The effect of melt temperature and dwell time on the formation of Ag nanoclusters and Ag nanoparticles in simple host oxyfluoride glasses has been studied. The increase of melt temperature and dwell time results in the dissolution of Ag nanoparticles and substantial red-shift of absorption and photoluminescence spectra of the prepared glasses. The quantum yield of the glasses is similar to 5% and does not depend on melt temperature and dwell time. The prepared glasses may be used as red phosphors or down-conversion layers for solar-cells.  
  Address  
  Corporate Author Thesis  
  Publisher Spie-int soc optical engineering Place of Publication Bellingham Editor  
  Language Wos 000349404500057 Publication Date 2015-01-06  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume 9450 Series Issue Edition  
  ISSN 978-1-62841-566-7 ISBN Additional Links UA library record; WoS full record  
  Impact Factor Times cited Open Access  
  Notes Approved Most recent IF: NA  
  Call Number UA @ lucian @ c:irua:144783 Serial 4668  
Permanent link to this record
 

 
Author Woo, S.Y.; Gauquelin, N.; Nguyen, H.P.T.; Mi, Z.; Botton, G.A. pdf  doi
openurl 
  Title Interplay of strain and indium incorporation in InGaN/GaN dot-in-a-wire nanostructures by scanning transmission electron microscopy Type A1 Journal article
  Year (down) 2015 Publication Nanotechnology Abbreviated Journal Nanotechnology  
  Volume 26 Issue 26 Pages 344002  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract The interplay between strain and composition is at the basis of heterostructure design to engineer new properties. The influence of the strain distribution on the incorporation of indium during the formation of multiple InGaN/GaN quantum dots (QDs) in nanowire (NW) heterostructures has been investigated, using the combined techniques of geometric phase analysis of atomic-resolution images and quantitative elemental mapping from core-loss electron energy-loss spectroscopy within scanning transmission electron microscopy. The variation in In-content between successive QDs within individual NWs shows a dependence on the magnitude of compressive strain along the growth direction within the underlying GaN barrier layer, which affects the incorporation of In-atoms to minimize the local effective strain energy. Observations suggest that the interfacial misfit between InGaN/GaN within the embedded QDs is mitigated by strain partitioning into both materials, and results in normal stresses inflicted by the presence of the surrounding GaN shell. These experimental measurements are linked to the local piezoelectric polarization fields for individual QDs, and are discussed in terms of the photoluminescence from an ensemble of NWs.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Bristol Editor  
  Language Wos 000359079500003 Publication Date 2015-08-03  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0957-4484 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.44 Times cited 19 Open Access  
  Notes Approved Most recent IF: 3.44; 2015 IF: 3.821  
  Call Number UA @ lucian @ c:irua:136278 Serial 4504  
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Author de Backer, A.; De wael, A.; Gonnissen, J.; Martinez, G.T.; Béché, A.; MacArthur, K.E.; Jones, L.; Nellist, P.D.; Van Aert, S. url  doi
openurl 
  Title Quantitative annular dark field scanning transmission electron microscopy for nanoparticle atom-counting : what are the limits? Type A1 Journal article
  Year (down) 2015 Publication Journal of physics : conference series Abbreviated Journal  
  Volume 644 Issue Pages 012034-4  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract Quantitative atomic resolution annular dark field scanning transmission electron microscopy (ADF STEM) has become a powerful technique for nanoparticle atom-counting. However, a lot of nanoparticles provide a severe characterisation challenge because of their limited size and beam sensitivity. Therefore, quantitative ADF STEM may greatly benefit from statistical detection theory in order to optimise the instrumental microscope settings such that the incoming electron dose can be kept as low as possible whilst still retaining single-atom precision. The principles of detection theory are used to quantify the probability of error for atom-counting. This enables us to decide between different image performance measures and to optimise the experimental detector settings for atom-counting in ADF STEM in an objective manner. To demonstrate this, ADF STEM imaging of an industrial catalyst has been conducted using the near-optimal detector settings. For this experiment, we discussed the limits for atomcounting diagnosed by combining a thorough statistical method and detailed image simulations.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Bristol Editor  
  Language Wos Publication Date  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1742-6588; 1742-6596 ISBN Additional Links UA library record  
  Impact Factor Times cited Open Access  
  Notes Approved Most recent IF: NA  
  Call Number UA @ lucian @ c:irua:129198 Serial 4506  
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