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Author Dirtu, A.C.; Buczyńska, A.J.; Godoi, A.F.L.; Favoreto, R.; Bencs, L.; Potgieter-Vermaak, S.S.; Godoi, R.H.M.; Van Grieken, R.; Van Vaeck, L. pdf  doi
openurl 
  Title Methods, fluxes and sources of gas phase alkyl nitrates in the coastal air Type A1 Journal article
  Year 2014 Publication Environmental monitoring and assessment Abbreviated Journal  
  Volume 186 Issue 10 Pages 6445-6457  
  Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Toxicological Centre  
  Abstract The daily and seasonal atmospheric concentrations, deposition fluxes and emission sources of a few C3C9 gaseous alkyl nitrates (ANs) at the Belgian coast (De Haan) on the Southern North Sea were determined. An adapted sampler design for low- and high-volume air-sampling, optimized sample extraction and clean-up, as well as identification and quantification of ANs in air samples by means of gas chromatography mass spectrometry, are reported. The total concentrations of ANs ranged from 0.03 to 85 pptv and consisted primarily of the nitro-butane and nitro-pentane isomers. Air mass backward trajectories were calculated by the Hybrid Single-Particle Lagrangian Integrated Trajectory (HYSPLIT) model to determine the influence of main air masses on AN levels in the air. The shorter chain ANs have been the most abundant in the Atlantic/Channel/UK air masses, while longer chain ANs prevailed in continental air. The overall mean N fluxes of the ANs were slightly higher for summer than those for winter-spring, although their contributions to the total nitrogen flux were low. High correlations between AN and HNO2 levels were observed during winter/spring. During summer, the shorter chain ANs correlated well with precipitation. Source apportionment by means of principal component analysis indicated that most of the gas phase ANs could be attributed to traffic/combustion, secondary photochemical formation and biomass burning, although marine sources may also have been present and a contributing factor.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication (up) Editor  
  Language Wos 000341497800035 Publication Date 2014-06-21  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1420-2026; 1573-2967 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:118906 Serial 8224  
Permanent link to this record
 

 
Author Joris, I.; Bronders, J.; van der Grift, B.; Seuntjens, P. doi  openurl
  Title Model-based scenario analysis of the impact of remediation measures on metal leaching from soils contaminated by historic smelter emissions Type A1 Journal article
  Year 2014 Publication Journal of environmental quality Abbreviated Journal  
  Volume 43 Issue 3 Pages 859-868  
  Keywords A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL)  
  Abstract A spatially distributed model for leaching of Cd from the unsaturated zone was developed for the Belgian-Dutch transnational Kempen region. The model uses as input land-use maps, atmospheric deposition data, and soil data and is part of a larger regional model that simulates transport of Cd in soil, groundwater, and surface water. A new method for deriving deposition from multiple sites was validated using soil data in different wind directions. Leaching was calculated for the period 1890 to 2010 using a reconstruction of metal loads in the region. The model was able to reproduce spatial patterns of concentrations in soil and groundwater and predicted the concentration in shallow groundwater adequately well for the purpose of evaluating management options. For 42% of the data points, measurements and calculations were within the same concentration class. The model was used for forecasting under a reference scenario, an autonomous development scenario including climate change, and a scenario with implementation of remediation measures. The impact of autonomous development (under the most extreme scenario of climatic change) amounted to an increase of 10% in cumulative Cd flux after 100 yr as compared with the reference scenario. The impact of remediation measures was mainly local and is less pronounced (i.e., only 3% change in cumulative flux at the regional scale). The integrated model served as a tool to assist in developing management strategies and prioritization of remediation of the wide-spread heavy metal contamination in the region.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication (up) Editor  
  Language Wos 000336275700009 Publication Date 2014-04-04  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0047-2425 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:117781 Serial 8260  
Permanent link to this record
 

 
Author Gielis, J.; Verhulst, R.; Caratelli, D.; Ricci, P.E.; Tavkhelidze, I. url  openurl
  Title On means, polynomials and special functions Type A1 Journal article
  Year 2014 Publication The teaching of mathematics Abbreviated Journal  
  Volume 17 Issue 1 Pages 1-20  
  Keywords A1 Journal article; Educational sciences; Sustainable Energy, Air and Water Technology (DuEL)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication (up) Editor  
  Language Wos Publication Date  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1451-4966; 2406-1077 ISBN Additional Links UA library record  
  Impact Factor Times cited Open Access  
  Notes Approved no  
  Call Number UA @ admin @ c:irua:128660 Serial 8327  
Permanent link to this record
 

 
Author Arana, A.; Loureiro, A.L.; Barbosa, H.M.J.; Van Grieken, R.; Artaxo, P. pdf  doi
openurl 
  Title Optimized energy dispersive X-ray fluorescence analysis of atmospheric aerosols collected at pristine and perturbed Amazon Basin sites Type A1 Journal article
  Year 2014 Publication X-ray spectrometry Abbreviated Journal  
  Volume 43 Issue 4 Pages 228-237  
  Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)  
  Abstract Elemental composition of aerosols is important to source apportionment studies and to understand atmospheric processes that influence aerosol composition. Energy dispersive X-ray fluorescence spectroscopy was applied for measuring the elemental composition of Amazonian atmospheric aerosols. The instrument used was a spectrometer Epsilon 5, PANalytical B. V., with tridimensional geometry that reduces the background signal with a polarized X-ray detection. The measurement conditions were optimized for low-Z elements, e. g. Mg, Al, Si, that are present at very low concentrations in the Amazon. From Na to K, our detection limits are about 50% to 75% lower than previously published results for similar instrument. Calibration was performed using Micromatter standards, except for P whose standard was produced by nebulization of an aqueous solution of KH2PO4 at our laboratory. The multi-element reference material National Institute of Standards and Technology-2783 (air particulate filter) was used for evaluating the accuracy of the calibration procedure of the 22 elements in our standard analysis routine, and the uncertainty associated with calibration procedures was evaluated. The overall performance of the instrument and validation of our measurements were assessed by comparison with results obtained from parallel analysis using particle-induced X-ray emission and another Epsilon 5 spectrometer. The elemental composition in 660 samples collected at a pristine site in the Amazon Basin and of 1416 samples collected at a site perturbed by land use change was determined. Our measurements show trace elements associated with biogenic aerosols, soil dust, biomass burning, and sea-salt, even for the very low concentrations as observed in Amazonia. Copyright (C) 2014 John Wiley & Sons, Ltd.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication (up) Editor  
  Language Wos 000337724600006 Publication Date 2014-06-09  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0049-8246 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:118419 Serial 8342  
Permanent link to this record
 

 
Author Margui, E.; Van Grieken, R. pdf  openurl
  Title Overview of most commonly used analytical techniques for elemental analysis Type A3 Journal article
  Year 2014 Publication Petro Industry News Abbreviated Journal  
  Volume Issue Pages 8-10  
  Keywords A3 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication (up) Editor  
  Language Wos Publication Date  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1472-0590 ISBN Additional Links UA library record  
  Impact Factor Times cited Open Access  
  Notes Approved no  
  Call Number UA @ admin @ c:irua:114599 Serial 8352  
Permanent link to this record
 

 
Author Piñera Hernández, I. openurl 
  Title Simulation of atom displacements induced by photons and electrons in solids Type Doctoral thesis
  Year 2014 Publication Abbreviated Journal  
  Volume Issue Pages 137 p.  
  Keywords Doctoral thesis; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication (up) 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 no  
  Call Number UA @ admin @ c:irua:116687 Serial 8526  
Permanent link to this record
 

 
Author Van de Voorde, L.; Vandevijvere, M.; Vekemans, B.; Van Pevenage, J.; Caen, J.; Vandenabeele, P.; van Espen, P.; Vincze, L. pdf  doi
openurl 
  Title Study of a unique 16th century Antwerp majolica floor in the Rameyenhof castle's chapel by means of X-ray fluorescence and portable Raman analytical instrumentation Type A1 Journal article
  Year 2014 Publication Spectrochimica acta: part B : atomic spectroscopy Abbreviated Journal  
  Volume 102 Issue Pages 28-35  
  Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Antwerp Cultural Heritage Sciences (ARCHES)  
  Abstract The most unique and only known 16th century Antwerp majolica tile floor in Belgium is situated in a tower of the Rameyenhof castle (Gestel, Belgium). This exceptional work of art has recently been investigated in situ by using X-ray fluorescence (XRF) and Raman spectroscopy in order to study the material characteristics. This study reports on the result of the analyses based on the novel combination of non-destructive and portable instrumentation, including a handheld XRF spectrometer for obtaining elemental information and a mobile Raman spectrometer for retrieving structural and molecular information on the floor tiles in the Rameyenhof castle and on a second, similar medallion, which is stored in the Rubens House museum in Antwerp (Belgium). The investigated material, majolica, is a type of ceramic, which fascinated many people and potters throughout history by its beauty and colourful appearance. In this study the characteristic major/minor and trace element signature of 16th century Antwerp majolica is determined and the pigments used for the colourful paintings present on the floor are identified. Furthermore, based on the elemental fingerprint of the white glaze, and in particular on the presence of zinc in the tiles – an element that was not used for making 16th century majolica – valuable information about the originality of the chapel floor and the two central medallions is acquired. (C) 2014 Elsevier B.V. All rights reserved.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication (up) Editor  
  Language Wos 000347604100005 Publication Date 2014-10-25  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0584-8547; 1873-3565 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:123850 Serial 8592  
Permanent link to this record
 

 
Author Beames, A.; Broekx, S.; Lookman, R.; Touchant, K.; Seuntjens, P. pdf  doi
openurl 
  Title Sustainability appraisal tools for soil and groundwater remediation : how is the choice of remediation alternative influenced by different sets of sustainability indicators and tool structures? Type A1 Journal article
  Year 2014 Publication The science of the total environment Abbreviated Journal  
  Volume 470 Issue Pages 954-966  
  Keywords A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL)  
  Abstract The state-of-the-science in sustainability assessment of soil and groundwater remediation is evaluated with the application of four decision support systems (DSSs) to a large-scale brownfield revitalization case study. The DSSs were used to perform sustainability appraisals of four technically feasible remediation alternatives proposed for the site. The first stage of the review compares the scope of each tool's sustainability indicators, how these indicators are measured and how the tools differ in terms of standardization and weighting procedures. The second stage of the review compares the outputs from the tools and determines the key factors that result in differing results between tools. The evaluation of indicator sets and tool structures explains why the tools generate differing results. Not all crucial impact areas, as identified by sustainable remediation forums, are thoroughly considered by the tools, particularly with regard to the social and economic aspects of sustainability. Variations in boundary conditions defined between technologies, produce distorted environmental impact results, especially when in-situ and ex-situ technologies are compared. The review draws attention to the need for end users to be aware of which aspects of sustainability are considered, how the aspects are measured and how all aspects are ultimately balanced in the evaluation of potential remediation strategies. Existing tools can be improved by considering different technologies within the same boundary conditions and by expanding indicator sets to include indicators deemed to be relevant by remediation forums. (C) 2013 Elsevier B.V. All rights reserved.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication (up) Editor  
  Language Wos 000331415600102 Publication Date 2013-11-14  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0048-9697; 1879-1026 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor Times cited Open Access  
  Notes Approved no  
  Call Number UA @ admin @ c:irua:115827 Serial 8628  
Permanent link to this record
 

 
Author Lobovikov-Katz, A.; Moropoulou, A.; Konstanti, A.; Ortiz Calderon, P.; Van Grieken, R.; Worth, S.; Cassar, J.A.; De Angelis, R.; Biscontin, G.; Izzo, F.C. url  doi
openurl 
  Title Tangible versus intangible in e-learning on cultural heritage : from online learning to on-site study of historic sites Type P1 Proceeding
  Year 2014 Publication Lecture notes in computer science T2 – 5th EuroMed International Conference, NOV 03-08, 2014, Amathus, CYPRUS Abbreviated Journal  
  Volume 8740 Issue Pages 819-828  
  Keywords P1 Proceeding; Documentation and information; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)  
  Abstract The revolutionary development in digital theory and technology calls for non-trivial decisions in bridging between the virtual and real worlds. The field of conservation of cultural heritage thus provides various challenges, especially with regards to learning, study and investigation of tangible heritage through applications of intangible ICT technologies. This paper examines the interaction between e-learning, and the actual on-site learning and study of historic buildings and sites, with an emphasis on their visual characteristics. In this context, the paper presents some aspects of application of a methodology which allows basic documentation, monitoring and primary analysis of data on cultural (built) heritage sites by general public through educational process enabled by an e-learning platform.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication (up) Editor  
  Language Wos 000354774500084 Publication Date 2014-11-14  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 978-3-319-13694-3; 978-3-319-13695-0; 978-3-319-13694-3; 0302-9743; 1611-3349 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:126395 Serial 8641  
Permanent link to this record
 

 
Author Boënne, W.; Desmet, N.; Van Looy, S.; Seuntjens, P. doi  openurl
  Title Use of online water quality monitoring for assessing the effects of WWTP overflows in rivers Type A1 Journal article
  Year 2014 Publication Environmental science : processes & impacts Abbreviated Journal  
  Volume 16 Issue 6 Pages 1510-1518  
  Keywords A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL)  
  Abstract The effects on river water quality of sewer overflows are not well known. Since the duration of the overflow is in the order of magnitude of minutes to hours, continuous measurements of water quality are needed and traditional grab sampling is unable to quantify the pollution loads. The objective of this paper was to demonstrate the applicability of high frequency measurements for assessing the impacts of waste water treatment plants on the water quality of the receiving surface water. In our in situ water quality monitoring setup, two types of multiparameter sensors mounted on a floating fixed platform were used to determine the dynamics of dissolved oxygen, specific conductivity, ammonium-N, nitrate-N and dissolved organic carbon downstream of a waste water treatment plant (WWTP), in combination with data on rainfall, river discharge and WWTP overflow discharge. The monitoring data for water quantity and water quality were used to estimate the pollution load from waste water overflow events and to assess the impact of waste water overflows on the river water quality. The effect of sewer overflow on a small river in terms of N load was shown to be significant. The WWTP overflow events accounted for about 1/3 of the river discharge. The NH4-N loads during overflow events contributed 29% and 21% to the August 2010 and June 2011 load, respectively, in only 8% and 3% of the monthly time span. The results indicate that continuous monitoring is needed to accurately represent the effects of sewer overflows in river systems.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication (up) Editor  
  Language Wos 000336841600031 Publication Date 2014-03-18  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2050-7887; 2050-7895 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:118390 Serial 8722  
Permanent link to this record
 

 
Author Iyikanat, F.; Sahin, H.; Senger, R.T.; Peeters, F.M. url  doi
openurl 
  Title Ag and Au atoms intercalated in bilayer heterostructures of transition metal dichalcogenides and graphene Type A1 Journal article
  Year 2014 Publication APL materials Abbreviated Journal Apl Mater  
  Volume 2 Issue 9 Pages 092801  
  Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)  
  Abstract The diffusive motion of metal nanoparticles Au and Ag on monolayer and between bilayer heterostructures of transition metal dichalcogenides and graphene are investigated in the framework of density functional theory. We found that the minimum energy barriers for diffusion and the possibility of cluster formation depend strongly on both the type of nanoparticle and the type of monolayers and bilayers. Moreover, the tendency to form clusters of Ag and Au can be tuned by creating various bilayers. Tunability of the diffusion characteristics of adatoms in van der Waals heterostructures holds promise for controllable growth of nanostructures. (C) 2014 Author(s). All article content, except where otherwise noted, is licensed under a Creative Commons Attribution 3.0 Unported License.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication (up) Editor  
  Language Wos 000342568000020 Publication Date 2014-08-28  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2166-532X ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 4.335 Times cited 10 Open Access  
  Notes ; 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. H.S. is supported by a FWO Pegasus Marie Curie Fellowship. F.I. and R.T.S. acknowledge the support from TUBITAK Project No. 111T318. ; Approved Most recent IF: 4.335; 2014 IF: NA  
  Call Number UA @ lucian @ c:irua:119950 Serial 82  
Permanent link to this record
 

 
Author Mueller, K.; Krause, F.F.; Béché, A.; Schowalter, M.; Galioit, V.; Loeffler, S.; Verbeeck, J.; Zweck, J.; Schattschneider, P.; Rosenauer, A. pdf  url
doi  openurl
  Title Atomic electric fields revealed by a quantum mechanical approach to electron picodiffraction Type A1 Journal article
  Year 2014 Publication Nature communications Abbreviated Journal Nat Commun  
  Volume 5 Issue Pages 5653  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract By focusing electrons on probes with a diameter of 50 pm, aberration-corrected scanning transmission electron microscopy (STEM) is currently crossing the border to probing subatomic details. A major challenge is the measurement of atomic electric fields using differential phase contrast (DPC) microscopy, traditionally exploiting the concept of a field- induced shift of diffraction patterns. Here we present a simplified quantum theoretical interpretation of DPC. This enables us to calculate the momentum transferred to the STEM probe from diffracted intensities recorded on a pixel array instead of conventional segmented bright- field detectors. The methodical development yielding atomic electric field, charge and electron density is performed using simulations for binary GaN as an ideal model system. We then present a detailed experimental study of SrTiO3 yielding atomic electric fields, validated by comprehensive simulations. With this interpretation and upgraded instrumentation, STEM is capable of quantifying atomic electric fields and high-contrast imaging of light atoms.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication (up) Editor  
  Language Wos 000347227700003 Publication Date 2014-12-15  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2041-1723; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 12.124 Times cited 197 Open Access  
  Notes 246791 COUNTATOMS; 278510 VORTEX; Hercules; 312483 ESTEEM2; esteem2ta; ECASJO; Approved Most recent IF: 12.124; 2014 IF: 11.470  
  Call Number UA @ lucian @ c:irua:122835UA @ admin @ c:irua:122835 Serial 166  
Permanent link to this record
 

 
Author Volkova, N.E.; Lebedev, O.I.; Gavrilova, L.Y.; Turner, S.; Gauquelin, N.; Seikh, M.M.; Caignaert, V.; Cherepanov, V.A.; Raveau, B.; Van Tendeloo, G. doi  openurl
  Title Nanoscale ordering in oxygen deficient quintuple perovskite Sm2-\epsilonBa3+\epsilonFe5O15-\delta : implication for magnetism and oxygen stoichiometry Type A1 Journal article
  Year 2014 Publication Chemistry of materials Abbreviated Journal Chem Mater  
  Volume 26 Issue 21 Pages 6303-6310  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract The investigation of the system SmBaFe-O in air has allowed an oxygen deficient perovskite Sm2-epsilon Ba3+epsilon Fe5O15-delta (delta = 0.75, epsilon = 0.125) to be synthesized. In contrast to the XRPD pattern which gives a cubic symmetry (a(p) = 3.934 angstrom), the combined HREM/EELS study shows that this phase is nanoscale ordered with a quintuple tetragonal cell, a(p) X a(p) X 5(ap). The nanodomains exhibit a unique stacking sequence of the A-site cationic layers along the crystallographic c-axis, namely SmBaBa/SmBa/SmBaSm, and are chemically twinned in the three crystallographic directions. The nanoscale ordering of this perovskite explains its peculiar magnetic properties on the basis of antiferromagnetic interactions with spin blockade at the boundary between the nanodomains. The variation of electrical conductivity and oxygen content of this oxide versus temperature suggest potential SOFC applications. They may be related to the particular distribution of oxygen vacancies in the lattice and to the 3d(5)(L) under bar configuration of iron.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication (up) Editor  
  Language Wos 000344905600029 Publication Date 2014-10-07  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0897-4756;1520-5002; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 9.466 Times cited 16 Open Access  
  Notes The UrFU authors were financially supported by the Ministry of Education and Science of Russian Federation (project N 4.1039.2014/K) and by UrFU under the Framework Program of development of UrFU through the «Young scientists UrFU» competition. The CRISMAT authors gratefully acknowledge the EC, the CNRS and the French Minister of Education and Research for financial support through their Research, Strategic and Scholarship programs. This work was supported by funding from the European Research Council under the Seventh Framework Program (FP7), ERC grant N°246791 – COUNTATOMS. S.T. gratefully acknowledges the fund for scientific research Flanders for a post-doctoral fellowship and for financial support under contract number G004413N. N.G. acknowledges funding from the European Research Council under the 7th Framework Program (FP7), ERC starting grant number 278510 – VORTEX; ECASJO_; Approved Most recent IF: 9.466; 2014 IF: 8.354  
  Call Number UA @ lucian @ c:irua:122137 Serial 2269  
Permanent link to this record
 

 
Author Galván-Moya, J.E.; Altantzis, T.; Nelissen, K.; Peeters, F.M.; Grzelczak, M.; Liz-Marán, L.M.; Bals, S.; Van Tendeloo, G. pdf  url
doi  openurl
  Title Self-organization of highly symmetric nanoassemblies : a matter of competition Type A1 Journal article
  Year 2014 Publication ACS nano Abbreviated Journal Acs Nano  
  Volume 8 Issue 4 Pages 3869-3875  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)  
  Abstract The properties and applications of metallic nanoparticles are inseparably connected not only to their detailed morphology and composition but also to their structural configuration and mutual interactions. As a result, the assemblies often have superior properties as compared to individual nanoparticles. Although it has been reported that nanoparticles can form highly symmetric clusters, if the configuration can be predicted as a function of the synthesis parameters, more targeted and accurate synthesis will be possible. We present here a theoretical model that accurately predicts the structure and configuration of self-assembled gold nanoclusters. The validity of the model is verified using quantitative experimental data extracted from electron tomography 3D reconstructions of different assemblies. The present theoretical model is generic and can in principle be used for different types of nanoparticles, providing a very wide window of potential applications.  
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  Corporate Author Thesis  
  Publisher Place of Publication (up) Editor  
  Language Wos 000334990600084 Publication Date 2014-03-13  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1936-0851;1936-086X; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 13.942 Times cited 34 Open Access OpenAccess  
  Notes FWO; Methusalem; 246791 COUNTATOMS; 335078 COLOURATOM; 262348 ESMI; ECAS_Sara; (ROMEO:white; preprint:; postprint:restricted 12 months embargo; pdfversion:cannot); Approved Most recent IF: 13.942; 2014 IF: 12.881  
  Call Number UA @ lucian @ c:irua:116955 Serial 2977  
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Author Kerkhofs, S.; Leroux, F.; Allouche, L.; Mellaerts, R.; Jammaer, J.; Aerts, A.; Kirschhock, C.E.A.; Magusin, P.C.M.M.; Taulelle, F.; Bals, S.; Van Tendeloo, G.; Martens, J.A.; url  doi
openurl 
  Title Single-step alcohol-free synthesis of coreshell nanoparticles of \gamma-casein micelles and silica Type A1 Journal article
  Year 2014 Publication RSC advances Abbreviated Journal Rsc Adv  
  Volume 4 Issue 49 Pages 25650-25657  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract A new, single-step protocol for wrapping individual nanosized β-casein micelles with silica is presented. This biomolecule-friendly synthesis proceeds at low protein concentration at almost neutral pH, and makes use of sodium silicate instead of the common silicon alkoxides. This way, formation of potentially protein-denaturizing alcohols can be avoided. The pH of the citrate-buffered synthesis medium is close to the isoelectric point of β-casein, which favours micelle formation. A limited amount of sodium silicate is added to the protein micelle suspension, to form a thin silica coating around the β-casein micelles. The size distribution of the resulting proteinsilica structures was characterized using DLS and SAXS, as well as 1H NMR DOSY with a dedicated pulsed-field gradient cryo-probehead to cope with the low protein concentration. The degree of silica-condensation was investigated by 29Si MAS NMR, and the nanostructure was revealed by advanced electron microscopy techniques such as ESEM and HAADF-STEM. As indicated by the combined characterization results, a silica shell of 2 nm is formed around individual β-casein micelles giving rise to separate protein coresilica shell nanoparticles of 17 nm diameter. This alcohol-free method at mild temperature and pH is potentially suited for packing protein molecules into bio-compatible silica nanocapsules for a variety of applications in biosensing, therapeutic protein delivery and biocatalysis.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication (up) Editor  
  Language Wos 000338434500025 Publication Date 2014-05-29  
  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 3 Open Access OpenAccess  
  Notes Fwo; 262348 Esmi; 335078 Colouratom; ECAS_Sara; (ROMEO:green; preprint:; postprint:can ; pdfversion:can); Approved Most recent IF: 3.108; 2014 IF: 3.840  
  Call Number UA @ lucian @ c:irua:125382 Serial 3027  
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Author Leusink, D.P.; Coneri, F.; Hoek, M.; Turner, S.; Idrissi, H.; Van Tendeloo, G.; Hilgenkamp, H. pdf  url
doi  openurl
  Title Thin films of the spin ice compound Ho2Ti2O7 Type A1 Journal article
  Year 2014 Publication APL materials Abbreviated Journal Apl Mater  
  Volume 2 Issue 3 Pages 032101-32107  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract The pyrochlore compounds Ho2Ti2O7 and Dy2Ti2O7 show an exotic form of magnetism called the spin ice state, resulting from the interplay between geometrical frustration and ferromagnetic coupling. A fascinating feature of this state is the appearance of magnetic monopoles as emergent excitations above the degenerate ground state. Over the past years, strong effort has been devoted to the investigation of these monopoles and other properties of the spin ice state in bulk crystals. Here, we report the fabrication of Ho2Ti2O7 thin films using pulsed laser deposition on yttria-stabilized ZrO2 substrates. We investigated the structural properties of these films by X-ray diffraction, scanning transmission electron microscopy, and atomic force microscopy, and the magnetic properties by vibrating sample magnetometry at 2 K. The films not only show a high crystalline quality, but also exhibit the hallmarks of a spin ice: a pronounced magnetic anisotropy and an intermediate plateau in the magnetization along the [111] crystal direction.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication (up) Editor  
  Language Wos 000334220300002 Publication Date 2014-03-04  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2166-532X; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 4.335 Times cited 18 Open Access  
  Notes The authors acknowledge support from the Dutch FOM and NWO foundations and from the European Union under the Framework 7 program under a contract from an Integrated Infrastructure Initiative (Reference 312483 ESTEEM2). G.V.T. acknowledges the ERC Grant N246791- COUNTATOMS. S.T. gratefully acknowledges financial support from the Fund for Scientific Research Flanders (FWO). H.I. acknowledges the IAP program of the Belgian State Federal Office for Scientific, Technical and Cultural Affairs under Contract No. P7/21. The microscope used in this study was partially financed by the Hercules Foundation of the Flemish Government. The authors acknowledge fruitful interactions with A. Brinkman, M. G. Blamire, M. Egilmez, F. J. G. Roesthuis, J. N. Beukers, C. G. Molenaar, M. Veldhorst, and X. Renshaw Wang; esteem2_ta Approved Most recent IF: 4.335; 2014 IF: NA  
  Call Number UA @ lucian @ c:irua:115555 Serial 3641  
Permanent link to this record
 

 
Author Goris, B.; Turner, S.; Bals, S.; Van Tendeloo, G. pdf  url
doi  openurl
  Title Three-dimensional valency mapping in ceria nanocrystals Type A1 Journal article
  Year 2014 Publication ACS nano Abbreviated Journal Acs Nano  
  Volume 8 Issue 10 Pages 10878-10884  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract Using electron tomography combined with electron energy loss spectroscopy (EELS), we are able to map the valency of the Ce ions in CeO2-x nanocrystals in three dimensions. Our results show a clear facet-dependent reduction shell at the surface of ceria nanoparticles; {111} surface facets show a low surface reduction, whereas at {001} surface facets, the cerium ions are more likely to be reduced over a larger surface shell. Our generic tomographic technique allows a full 3D data cube to be reconstructed, containing an EELS spectrum in each voxel. This possibility enables a three-dimensional investigation of a plethora of material-specific physical properties such as valency, chemical composition, oxygen coordination, or bond lengths, triggering the synthesis of nanomaterials with improved properties.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication (up) Editor  
  Language Wos 000343952600126 Publication Date 2014-10-06  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1936-0851;1936-086X; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 13.942 Times cited 85 Open Access OpenAccess  
  Notes 335078 Colouratom; 246791 Countatoms; Fwo; 312483 Esteem2; esteem2jra4; ECASSara; (ROMEO:white; preprint:; postprint:restricted 12 months embargo; pdfversion:cannot); Approved Most recent IF: 13.942; 2014 IF: 12.881  
  Call Number UA @ lucian @ c:irua:121219 Serial 3656  
Permanent link to this record
 

 
Author Heyer, S.; Janssen, W.; Turner, S.; Lu, Y.-G.; Yeap, W.S.; Verbeeck, J.; Haenen, K.; Krueger, A. pdf  doi
openurl 
  Title Toward deep blue nano hope diamonds : heavily boron-doped diamond nanoparticles Type A1 Journal article
  Year 2014 Publication ACS nano Abbreviated Journal Acs Nano  
  Volume 8 Issue 6 Pages 5757-5764  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract The production of boron-doped diamond nanoparticles enables the application of this material for a broad range of fields, such as electrochemistry, thermal management, and fundamental superconductivity research. Here we present the production of highly boron-doped diamond nanoparticles using boron-doped CVD diamond films as a starting material. In a multistep milling process followed by purification and surface oxidation we obtained diamond nanoparticles of 1060 nm with a boron content of approximately 2.3 × 1021 cm3. Aberration-corrected HRTEM reveals the presence of defects within individual diamond grains, as well as a very thin nondiamond carbon layer at the particle surface. The boron K-edge electron energy-loss near-edge fine structure demonstrates that the B atoms are tetrahedrally embedded into the diamond lattice. The boron-doped diamond nanoparticles have been used to nucleate growth of a boron-doped diamond film by CVD that does not contain an insulating seeding layer.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication (up) Editor  
  Language Wos 000338089200039 Publication Date 2014-04-09  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1936-0851;1936-086X; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 13.942 Times cited 71 Open Access  
  Notes the Research Foundation Flanders (FWO-Vlaanderen) (G.0555.10N;G.0568.10N; G.0456.12; G0044.13N and a postdoctoral scholarship for S.T.); EU FP7 through Marie Curie ITN “MATCON” (PITNGA-127 2009-238201)the Collaborative Project “DINAMO” (No. 245122) Integrated Infrastructure Initiative, Reference No. 312483-ESTEEM2.; esteem2_jra3 Approved Most recent IF: 13.942; 2014 IF: 12.881  
  Call Number UA @ lucian @ c:irua:117599 Serial 3683  
Permanent link to this record
 

 
Author Roose, D.; Leroux, F.; De Vocht, N.; Guglielmetti, C.; Pintelon, I.; Adriaensen, D.; Ponsaerts, P.; Van der Linden, A.; Bals, S. doi  openurl
  Title Multimodal imaging of micron-sized iron oxide particles following in vitro and in vivo uptake by stem cells: down to the nanometer scale Type A1 Journal article
  Year 2014 Publication Contrast Media & Molecular Imaging Abbreviated Journal Contrast Media Mol I  
  Volume 9 Issue 6 Pages 400-408  
  Keywords A1 Journal article; Electron Microscopy for Materials Science (EMAT);  
  Abstract In this study, the interaction between cells and micron-sized paramagnetic iron oxide (MPIO) particles was investigated by characterizing MPIO in their original state, and after cellular uptake in vitro as well as in vivo. Moreover, MPIO in the olfactory bulb were studied 9 months after injection. Using various imaging techniques, cell-MPIO interactions were investigated with increasing spatial resolution. Live cell confocal microscopy demonstrated that MPIO co-localize with lysosomes after in vitro cellular uptake. In more detail, a membrane surrounding the MPIO was observed by high-angle annular dark-field scanning transmission electron microscopy (HAADF-STEM). Following MPIO uptake in vivo, the same cell-MPIO interaction was observed by HAADF-STEM in the subventricular zone at 1 week and in the olfactory bulb at 9 months after MPIO injection. These findings provide proof for the current hypothesis that MPIO are internalized by the cell through endocytosis. The results also show MPIO are not biodegradable, even after 9 months in the brain. Moreover, they show the possibility of HAADF-STEM generating information on the labeled cell as well as on the MPIO. In summary, the methodology presented here provides a systematic route to investigate the interaction between cells and nanoparticles from the micrometer level down to the nanometer level and beyond.  
  Address EMAT, University of Antwerp, Antwerp, Belgium; Bio-Imaging Lab, University of Antwerp, Antwerp, Belgium; Laboratory of Experimental Hematology, University of Antwerp, Antwerp, Belgium  
  Corporate Author Thesis  
  Publisher Place of Publication (up) Editor  
  Language English Wos 000346172100002 Publication Date 2014-04-22  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1555-4309; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.307 Times cited 8 Open Access Not_Open_Access  
  Notes IAP-PAI; 262348 ESMI; Hercules Type 1: AUHA 09/001 and AUHA 11/01 Approved Most recent IF: 3.307; 2014 IF: 2.923  
  Call Number UA @ lucian @ Serial 3938  
Permanent link to this record
 

 
Author Kalesaki, E.; Boneschanscher, M.P.; Geuchies, J.J.; Delerue, C.; Morais Smith, C.; Evers, W.H.; Allan, G.; Altantzis, T.; Bals, S.; Vanmaekelbergh, D. pdf  url
doi  openurl
  Title Preparation and study of 2-D semiconductors with Dirac type bands due to the honeycomb nanogeometry Type P1 Proceeding
  Year 2014 Publication Proceedings of the Society of Photo-optical Instrumentation Engineers T2 – Proceedings of SPIE Abbreviated Journal  
  Volume 8981 Issue Pages 898107-898107  
  Keywords P1 Proceeding; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract The interest in 2-dimensional systems with a honeycomb lattice and related Dirac-­type electronic bands has exceeded the prototype graphene1. Currently, 2-­dimensional atomic2,3 and nanoscale4-­8 systems are extensively investigated in the search for materials with novel electronic properties that can be tailored by geometry. The immediate question that arises is how to fabricate 2-­D semiconductors that have a honeycomb nanogeometry, and as a consequence of that, display a Dirac-­type band structure? Here, we show that atomically coherent honeycomb superlattices of rocksalt (PbSe, PbTe) and zincblende (CdSe, CdTe) semiconductors can be obtained by nanocrystal self-­assembly and facet-­to-­facet atomic bonding, and subsequent cation exchange. We present a extended structural analysis of atomically coherent 2-­D honeycomb structures that were recently obtained with self-assembly and facet-­to-­facet bonding9. We show that this process may in principle lead to three different types of honeycomb structures, one with a graphene type-­, and two others with a silicene-­type structure. Using TEM, electron diffraction, STM and GISAXS it is convincingly shown that the structures are from the silicene-­type. In the second part of this work, we describe the electronic structure of graphene-­type and silicene type honeycomb semiconductors. We present the results of advanced electronic structure calculations using the sp3d5s* atomistic tight-­binding method10. For simplicity, we focus on semiconductors with a simple and single conduction band for the native bulk semiconductor. When the 3-­D geometry is changed into 2-­D honeycomb, a conduction band structure transformation to two types of Dirac cones, one for S-­ and one for P-­orbitals, is observed. The width of the bands depends on the honeycomb period and the coupling between the nanocrystals. Furthermore, there is a dispersionless P-­orbital band, which also forms a landmark of the honeycomb structure. The effects of considerable intrinsic spin-­orbit coupling are briefly considered. For heavy-­element compounds such as CdTe, strong intrinsic spin-­‐orbit coupling opens a non-­trivial gap at the P-­orbital Dirac point, leading to a quantum Spin Hall effect10-­12. Our work shows that well known semiconductor crystals, known for centuries, can lead to systems with entirely new electronic properties, by the simple action of nanogeometry. It can be foreseen that such structures will play a key role in future opto-­electronic applications, provided that they can be fabricated in a straightforward way.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication (up) Editor  
  Language Wos 000336040600004 Publication Date 2014-03-07  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor Times cited 2 Open Access OpenAccess  
  Notes This work has been supported by funding of the French National Research Agency [ANR, (ANR-­‐09-­‐BLAN-­‐0421-­‐01)], NWO and the Dutch organization FOM [Programs “Control over Functional Nanoparticle Solids” (FNPS) and “Designing Dirac Carriers in Semiconductors” Approved Most recent IF: NA  
  Call Number c:irua:131912 Serial 4039  
Permanent link to this record
 

 
Author Macke, S.; Radi, A.; Hamann-Borrero, J.E.; Verna, A.; Bluschke, M.; Brück, S.; Goering, E.; Sutarto, R.; He, F.; Cristiani, G.; Wu, M.; Benckiser, E.; Habermeier, H.-U.; Logvenov, G.; Gauquelin, N.; Botton, G.A; Kajdos, A.P.; Stemmer, S.; Sawatzky,G.A.; Haverkort, M.W.; Keimer, B.; Hinkov, V. doi  openurl
  Title Element Specific Monolayer Depth Profiling Type A1 Journal Article
  Year 2014 Publication Advanced Materials Abbreviated Journal Adv Mater  
  Volume 26 Issue 38 Pages 6554-6559  
  Keywords A1 Journal Article; Electron Microscopy for Materials Science (EMAT)  
  Abstract The electronic phase behavior and functionality of interfaces and surfaces in complex materials are strongly correlated to chemical composition profiles, stoichiometry and intermixing. Here a novel analysis scheme for resonant X-ray reflectivity maps is introduced to determine such profiles, which is element specific and non-destructive, and which exhibits atomic-layer resolution and a probing depth of hundreds of nanometers.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication (up) Editor  
  Language Wos 000343763200004 Publication Date 2014-08-08  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1521-4095 ISBN Additional Links  
  Impact Factor 19.791 Times cited 34 Open Access  
  Notes Approved Most recent IF: 19.791; 2014 IF: NA  
  Call Number EMAT @ emat @ Serial 4541  
Permanent link to this record
 

 
Author N. Gauquelin, D. G. Hawthorn, G. A. Sawatzky, R. X. Liang, D. A. Bonn, W. N. Hardy & G.A. Botton pdf  doi
openurl 
  Title Atomic scale real-space mapping of holes in YBa2Cu3O6+δ Type A1 Journal Article
  Year 2014 Publication Nature Communications Abbreviated Journal  
  Volume 5 Issue Pages 4275  
  Keywords A1 Journal Article; Electron Microscopy for Materials Science (EMAT) ;  
  Abstract The high-temperature superconductor YBa2Cu3O6+δ consists of two main structural units—a bilayer of CuO2 planes that are central to superconductivity and a CuO2+δ chain layer. Although the functional role of the planes and chains has long been established, most probes integrate over both, which makes it difficult to distinguish the contribution of each. Here we use electron energy loss spectroscopy to directly resolve the plane and chain contributions to the electronic structure in YBa2Cu3O6 and YBa2Cu3O7. We directly probe the charge transfer of holes from the chains to the planes as a function of oxygen content, and show that the change in orbital occupation of Cu is large in the chain layer but modest in CuO2 planes, with holes in the planes doped primarily into the O 2p states. These results provide direct insight into the local electronic structure and charge transfers in this important high-temperature superconductor.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication (up) Editor  
  Language Wos 000340615100002 Publication Date 2014-07-16  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN ISBN Additional Links  
  Impact Factor Times cited 22 Open Access  
  Notes Approved Most recent IF: NA  
  Call Number EMAT @ emat @ Serial 4542  
Permanent link to this record
 

 
Author N. Gauquelin, E. Benckiser, M. K. Kinyanjui, M. Wu, Y. Lu, G. Christiani, G. Logvenov, H.-U. Habermeier, U. Kaiser, B. Keimer, and G. A. Botton url  doi
openurl 
  Title Atomically resolved EELS mapping of the interfacial structure of epitaxially strained LaNiO3/LaAlO3 superlattices Type A1 Journal Article
  Year 2014 Publication Physical Review B Abbreviated Journal  
  Volume 90 Issue Pages 195140  
  Keywords A1 Journal Article; Electron Microscopy for Materials Science (EMAT) ;  
  Abstract The interfacial atomic structure of a metallic LaNiO3/LaAlO3 superlattice grown on a LaSrAlO4 substrate was

investigated using a combination of atomically resolved electron energy loss spectroscopy (EELS) at the Al K,

Al L2,3, Sr L2,3, Ni L2,3, La M4,5, and O K edges as well as hybridization mapping of selected features of the O

K-edge fine structure.We observe an additional La1−xSrxAl1−yNiyO3 layer at the substrate-superlattice interface,

possibly linked to diffusion of Al and Sr into the growing film or a surface reconstruction due to Sr segregation.

The roughness of the LaNiO3/LaAlO3 interfaces is found to be on average around one pseudocubic unit cell. The

O K-edge EELS spectra revealed reduced spectral weight of the prepeak derived from Ni-O hybridized states in

the LaNiO3 layers. We rule out oxygen nonstoichiometry of the LaNiO3 layers and discuss changes in the Ni-O

hybridization due to heterostructuring as possible origin.
 
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication (up) Editor  
  Language Wos 000345467000003 Publication Date 2014-11-20  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN ISBN Additional Links  
  Impact Factor Times cited 17 Open Access  
  Notes Approved Most recent IF: NA  
  Call Number EMAT @ emat @ Serial 4544  
Permanent link to this record
 

 
Author M. K. Kinyanjui, N. Gauquelin, E. Benckiser, H. –U. Habermeier, B. Keimer, U. Kaiser and G.A. Botton doi  openurl
  Title Local lattice distortion and anisotropic modulation in Epitaxially Strained LaNiO3/LaAlO3 hetero-structures Type A1 Journal Article
  Year 2014 Publication Applied Physics Letters Abbreviated Journal  
  Volume 104 Issue Pages 221909  
  Keywords A1 Journal Article; Electron Microscopy for Materials Science (EMAT) ;  
  Abstract Using a complementary combination of x-ray diffraction and atomically resolved imaging we investigated the lattice structure of epitaxial LaNiO3/LaAlO3 superlattices grown on a compressive-strain inducing LaSrAlO4 (001) substrate. A refinement of the structure obtained from the x-ray data revealed the monoclinic I 2/c 1 1 space group. The (Ni/Al)O6 octahedral rotation angle perpendicular to the superlattice plane is enhanced, and the one parallel to the plane is reduced with respect to the corresponding bulk values. High-angle annular dark field imaging was used to determine the lattice parameters within the superlattice unit cell. High-resolution electron microscopy images of the oxygen atoms are consistent with the x-ray results.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication (up) Editor  
  Language Wos 000337161700029 Publication Date 2014-06-07  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN ISBN Additional Links  
  Impact Factor Times cited 22 Open Access  
  Notes Approved Most recent IF: NA  
  Call Number EMAT @ emat @ Serial 4545  
Permanent link to this record
 

 
Author Hoffman, B.M.; Lukoyanov, D.; Yang, Z.-Y.; Dean, D.R.; Seefeldt, L.C. pdf  url
doi  openurl
  Title Mechanism of Nitrogen Fixation by Nitrogenase: The Next Stage Type A1 Journal Article
  Year 2014 Publication Chemical Reviews Abbreviated Journal Chem. Rev.  
  Volume 114 Issue 8 Pages 4041-4062  
  Keywords A1 Journal Article; Plasma, laser ablation and surface modeling Antwerp (PLASMANT) ;  
  Abstract Ammonia is a crucial nutrient used for plant growth and as a building block in pharmaceutical and chemical industry, produced via nitrogen fixation of the ubiquitous atmospheric N2. Current industrial ammonia production relies heavily on fossil resources, but a lot of work is put into developing non-fossil based pathways. Among these is the use of nonequilibrium plasma. In this work, we investigated water vapor as H source for nitrogen fixation into NH3 by non-equilibrium plasma. The highest selectivity towards NH3 was observed with low amounts of added H2O vapor, but the highest production rate was reached at high H2O vapor.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication (up) Editor  
  Language Wos Publication Date 2014-04-23  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0009-2665 ISBN Additional Links  
  Impact Factor Times cited Open Access  
  Notes We would like to thank Sylvia Dewilde (Department of Biomedical Sciences) for providing analytical equipment. Approved no  
  Call Number PLASMANT @ plasmant @ Serial 6337  
Permanent link to this record
 

 
Author Geukens, I.; Vermoortele, F.; Meledina, M.; Turner, S.; Van Tendeloo, G.; De Vos, D.E. pdf  doi
openurl 
  Title Ag nanoparticles on mixed Al2O3-Ga2O3 supports as catalysts for the N-alkylation of amines with alcohols Type A1 Journal article
  Year 2014 Publication Applied catalysis : A : general Abbreviated Journal Appl Catal A-Gen  
  Volume 469 Issue Pages 373-379  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract The combination of AgNO3 with NaH results in Ag nanoparticles that can selectively perform alcohol aminations under mild reaction conditions (110 °C). NaH not only serves as a reducing agent for the Ag salt, but also activates the alcohol for dehydrogenation to the corresponding ketone/aldehyde. The stability of the particles can be improved by immobilizing them onto mixed Al2O3Ga2O3 supports; the combination of Ga and Al provides materials with stronger Lewis acidic sites compared to pure alumina or gallium oxide supports. This leads to catalysts with enhanced activities, without the necessity of adding external Lewis acids. Detailed TEM characterization also reveals a close interaction between the Ag NPs and the gallium oxide phase. The obtained catalysts are recyclable and show activity for the alcohol amination using a variety of aliphatic and aromatic amines under mild conditions.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication (up) Amsterdam Editor  
  Language Wos 000329266500045 Publication Date 2013-10-10  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0926-860X; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 4.339 Times cited 24 Open Access  
  Notes Approved Most recent IF: 4.339; 2014 IF: 3.942  
  Call Number UA @ lucian @ c:irua:111095 Serial 83  
Permanent link to this record
 

 
Author Egoavil, R.; Gauquelin, N.; Martinez, G.T.; Van Aert, S.; Van Tendeloo, G.; Verbeeck, J. pdf  url
doi  openurl
  Title Atomic resolution mapping of phonon excitations in STEM-EELS experiments Type A1 Journal article
  Year 2014 Publication Ultramicroscopy Abbreviated Journal Ultramicroscopy  
  Volume 147 Issue Pages 1-7  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract Atomically resolved electron energy-loss spectroscopy experiments are commonplace in modern aberration-corrected transmission electron microscopes. Energy resolution has also been increasing steadily with the continuous improvement of electron monochromators. Electronic excitations however are known to be delocalized due to the long range interaction of the charged accelerated electrons with the electrons in a sample. This has made several scientists question the value of combined high spatial and energy resolution for mapping interband transitions and possibly phonon excitation in crystals. In this paper we demonstrate experimentally that atomic resolution information is indeed available at very low energy losses around 100 meV expressed as a modulation of the broadening of the zero loss peak. Careful data analysis allows us to get a glimpse of what are likely phonon excitations with both an energy loss and gain part. These experiments confirm recent theoretical predictions on the strong localization of phonon excitations as opposed to electronic excitations and show that a combination of atomic resolution and recent developments in increased energy resolution will offer great benefit for mapping phonon modes in real space.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication (up) Amsterdam Editor  
  Language Wos 000343157400001 Publication Date 2014-05-29  
  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 22 Open Access  
  Notes 246102 IFOX; 278510 VORTEX; 246791 COUNTATOMS; Hercules; 312483 ESTEEM2; esteem2jra3 ECASJO; Approved Most recent IF: 2.843; 2014 IF: 2.436  
  Call Number UA @ lucian @ c:irua:118332UA @ admin @ c:irua:118332 Serial 177  
Permanent link to this record
 

 
Author Croitoru, M.D.; Zachmann, M.; Vagov, A.; Axt, V.M.; Shanenko, A.A.; Kettmann, P.; Papenkort, T.; Kuhn, T. pdf  doi
openurl 
  Title Coherent dynamics of confinement-induced multiband superconductors Type A1 Journal article
  Year 2014 Publication Physica: C : superconductivity Abbreviated Journal Physica C  
  Volume 503 Issue Pages 183-186  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract We study the coherent dynamics of pairing in a nanoscale superconductor, that is intrinsically multiband, after an external perturbation in the non-adiabatic regime. The description of the dynamics of the pairing order is within the density-matrix approach based on the BCS model and the Bogoliubov-de Gennes equations. We find that for certain resonant wire widths the superconducting order parameter exhibits two oscillatory frequencies which are determined by the long-time asymptotic values of the subgaps. This in turn leads to a pronounced beating phenomenon. (C) 2014 Elsevier B.V. All rights reserved.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication (up) Amsterdam Editor  
  Language Wos 000340070600040 Publication Date 2014-04-26  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0921-4534; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.404 Times cited 1 Open Access  
  Notes ; M.D.C. acknowledges the support from the Back to Belgium Grant of the federal Science Policy (BELSPO). ; Approved Most recent IF: 1.404; 2014 IF: 0.942  
  Call Number UA @ lucian @ c:irua:118745 Serial 378  
Permanent link to this record
 

 
Author Miglio, A.; Saniz, R.; Waroquiers, D.; Stankovski, M.; Giantomassi, M.; Hautier, G.; Rignanese, G.-M.; Gonze, X. pdf  doi
openurl 
  Title Computed electronic and optical properties of SnO2 under compressive stress Type A1 Journal article
  Year 2014 Publication Optical materials Abbreviated Journal Opt Mater  
  Volume 38 Issue Pages 161-166  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract We consider the effects of three different types of applied compressive stress on the structural, electronic and optical properties of rutile SnO2. We use standard density functional theory (OFT) to determine the structural parameters. The effective masses and the electronic band gap, as well as their stress derivatives, are computed within both DFT and many-body perturbation theory (MBPT). The stress derivatives for the SnO2 direct band gap are determined to be 62, 38 and 25 meV/GPa within MBPT for applied hydrostatic, biaxial and uniaxial stress, respectively. Compared to DFT, this is a clear improvement with respect to available experimental data. We also estimate the exciton binding energies and their stress coefficients and compute the absorption spectrum by solving the Bethe-Salpeter equation. (C) 2014 Elsevier B.V. All rights reserved.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication (up) Amsterdam Editor  
  Language Wos 000346228800028 Publication Date 2014-11-08  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0925-3467; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.238 Times cited 6 Open Access  
  Notes ; This work was supported by the FRS-FNRS through a FRIA grant (D.W.) and a FNRS grant (G.H.). This work was also supported by the IWT Project Number 080023 (ISIMADE), the Region Wallonne through WALL-ETSF project Number 816849, the EU-FP7 HT4TCOS Grant No. PCIG11-GA-2912-321988, the FRS-FNRS through contracts FRFC Number 2.4.589.09.F and AIXPHO (PDR Grant T-0238.13). The authors would like to thank Yann Pouillon and Jean-Michel Beuken for their valuable technical support and help with the test and build system of ABINIT. Computational resources have been provided by the supercomputing facilities of the Universite catholique de Louvain (CISM/UCL) and the Consortium des Equipements de Calcul Intensif en Federation Wallonie Bruxelles (CECI) funded by the Fonds de la Recherche Scientifique de Belgique (FRS-FNRS) under Grant No. 2.5020.11. ; Approved Most recent IF: 2.238; 2014 IF: 1.981  
  Call Number UA @ lucian @ c:irua:122747 Serial 460  
Permanent link to this record
 

 
Author Khazzan, S.; Bessais, L.; Van Tendeloo, G.; Mliki, N. pdf  doi
openurl 
  Title Correlation between the nanocrystalline Sm(Fe,Mo)12 and its out of equilibrium phase Sm(Fe,Mo)10 Type A1 Journal article
  Year 2014 Publication Journal of magnetism and magnetic materials Abbreviated Journal J Magn Magn Mater  
  Volume 363 Issue Pages 125-132  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract Nanostructured Sm-Fe-Mo semi-hard magnetic material exhibiting enhanced magnetic properties can be produced by ball milling followed by recrystallization. Milled samples were annealed for 30 min in a vacuum at different temperatures (T-A) between 700 and 1190 degrees C. The effects of heat treatment and Mo content on structural and magnetic property changes have been investigated by means of X-ray diffraction using the Rietvekl method, transmission electron microscopy and magnetic measurements. For samples annealed at T-A > 900 degrees C the tetragonal ThMn12-type structure is identified, while for 700 < T-A < 900 degrees C a new out of equilibrium P6/mmm type structure was found as the major phase. This novel nanocrystalline phase has never been synthesized before. The correspondent stoichiometry is determined on the basis of the vacancy model. The Rietveld analysis gives a stoichiometry ratio equal to 1:10, for the out of equilibrium hexagonal phase, which is described with three crystallographic transition metal sites: 3g is fully occupied, 61 occupation is limited to hexagons surrounding the Fe dumbbell pairs 2e. We have performed a magnetic and structural study of nanocrystalline metastable P6/mrnm Sm(Fe1-xMo)(10), correlated with structural transformation towards its equilibrium derivative 14/mrnm Sm(Fe1-xMo)(12). A maximum of the coercive field H-C (H-C > 5 kOe) has been observed for the new hexagonal P6/rnmm phase suggesting that nanocrystalline Sm(Fe,Mo)(10), is a semi hard material, and is potential candidate for magnetic recording. (C) 2014 Elsevier B.V. All rights reserved.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication (up) Amsterdam Editor  
  Language Wos 000335393900021 Publication Date 2014-04-05  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0304-8853; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.63 Times cited 6 Open Access  
  Notes Approved Most recent IF: 2.63; 2014 IF: 1.970  
  Call Number UA @ lucian @ c:irua:117139 Serial 524  
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