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Author Saqlain, M.A.; Hussain, A.; Siddiq, D.M.; Leenaerts, O.; Leitão, A.A. pdf  doi
openurl 
  Title DFT Study of Synergistic Catalysis of the Water-Gas-Shift Reaction on Cu-Au Bimetallic Surfaces Type A1 Journal article
  Year 2016 Publication ChemCatChem Abbreviated Journal Chemcatchem  
  Volume 8 Issue 8 Pages 1208-1217  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract The water-gas-shift reaction (WGSR) is an important industrial process that can be significantly enhanced at suitable catalyst surfaces. In this work, we investigate the catalytic behavior of metallic Cu(1 0 0) and bimetallic Cu–Au(1 0 0) surfaces. With density functional theory calculations, the variation in the Gibbs free energy (ΔG°), the activation barriers, and the rate constants for the WGSR are calculated. The variation in ΔG° for water dissociation shows that the process is spontaneous up to 520 K on the bimetallic surface and up to 229 K on the Cu(1 0 0) surface. The calculated rate constants for the process also show that the bimetallic surface is much more reactive than the Cu(1 0 0) surface. The calculated pressure–temperature phase diagram for water dissociation shows that the partial pressure of H2O required for water dissociation on the bimetallic surface is substantially lower than that on the Cu(1 0 0) surface at all the studied temperatures. Additionally, the calculations demonstrate that the kinetics of the water-gas-shift reaction is dominated by redox processes on both the surfaces.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos (up) 000373074900026 Publication Date 2016-02-26  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1867-3880 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 4.803 Times cited 8 Open Access  
  Notes ; The authors would like to thank the Brazilian agencies CNPq, CAPES, FAPEMIG (CEX-PPM-00262/13), and TWAS for financial support and CENAPAD-SP for computational facilities. M.A. Saqlain pays special thanks to all the members of GFQSI for making his stay in Brazil memorable. ; Approved Most recent IF: 4.803  
  Call Number c:irua:133236 Serial 4070  
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Author Yang, S.; Kang, J.; Yue, Q.; Coey, J.M.D.; Jiang, C. pdf  doi
openurl 
  Title Defect-modulated transistors and gas-enhanced photodetectors on ReS2 nanosheets Type A1 Journal article
  Year 2016 Publication Advanced Materials Interfaces Abbreviated Journal Adv Mater Interfaces  
  Volume 3 Issue 3 Pages 1500707  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos (up) 000373149400011 Publication Date 2016-01-18  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2196-7350; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 4.279 Times cited 22 Open Access  
  Notes ; This work was supported by the National Natural Science Foundations of China (NSFC) under Grant No.51331001. The authors thank S. Tongay for giving them the ReS<INF>2</INF> crystals. ; Approved Most recent IF: 4.279  
  Call Number UA @ lucian @ c:irua:133232 Serial 4159  
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Author Ghanian, M.; Ghoochani, O.M.; Kitterlin, M.; Jahangiry, S.; Zarafshani, K.; Van Passel, S.; Azadi, H. doi  openurl
  Title Attitudes of agricultural experts toward genetically modified crops : a case study in Southwest Iran Type A1 Journal article
  Year 2016 Publication Science And Engineering Ethics Abbreviated Journal Sci Eng Ethics  
  Volume 22 Issue 2 Pages 509-524  
  Keywords A1 Journal article; Economics; Engineering Management (ENM)  
  Abstract The production of genetically modified (GM) crops is growing around the world, and with it possible opportunities to combat food insecurity and hunger, as well as solutions to current problems facing conventional agriculture. In this regard the use of GMOs in food and agricultural applications has increased greatly over the past decade. However, the development of GM crops has been a matter of considerable interest and worldwide public controversy. This, in addition to skepticism, has stifled the use of this practice on a large scale in many areas, including Iran. It stands to reason that a greater understanding of this practice could be formed after a review of the existing expert opinions surrounding GM crops. Therefore, the purpose of this study was to analyze the predictors that influence agricultural experts attitudes toward the development of and policies related to GM crops. Using a descriptive correlational research method, questionnaire data was collected from 65 experts from the Agricultural Organization in the Gotvand district in Southwest Iran. Results indicated that agricultural experts were aware of the environmental benefits and possible risks associated with GM crops. The majority of participants agreed that GM crops could improve food security and accelerate rural development, and were proponents of labeling practices for GM crops. Finally, there was a positive correlation between the perception of benefits and attitudes towards GM crops.  
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  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos (up) 000373378100011 Publication Date 2015-06-04  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1353-3452 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.229 Times cited 5 Open Access  
  Notes ; ; Approved Most recent IF: 2.229  
  Call Number UA @ admin @ c:irua:136751 Serial 6158  
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Author Li, T.; Piltz, B.; Podola, B.; Dron, A.; de Beer, D.; Melkonian, M. pdf  doi
openurl 
  Title Microscale profiling of photosynthesis-related variables in a highly productive biofilm photobioreactor Type A1 Journal article
  Year 2016 Publication Biotechnology and bioengineering Abbreviated Journal  
  Volume 113 Issue 5 Pages 1046-1055  
  Keywords A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)  
  Abstract In the present study depth profiles of light, oxygen, pH and photosynthetic performance in an artificial biofilm of the green alga Halochlorella rubescens in a porous substrate photobioreactor (PSBR) were recorded with microsensors. Biofilms were exposed to different light intensities (50-1,000mol photons m(-2) s(-1)) and CO2 levels (0.04-5% v/v in air). The distribution of photosynthetically active radiation showed almost identical trends for different surface irradiances, namely: a relatively fast drop to a depth of about 250 mu m, (to 5% of the incident), followed by a slower decrease. Light penetrated into the biofilm deeper than the Lambert-Beer Law predicted, which may be attributed to forward scattering of light, thus improving the overall light availability. Oxygen concentration profiles showed maxima at a depth between 50 and 150m, depending on the incident light intensity. A very fast gas exchange was observed at the biofilm surface. The highest oxygen concentration of 3.2mM was measured with 1,000mol photons m(-2) s(-1) and 5% supplementary CO2. Photosynthetic productivity increased with light intensity and/or CO2 concentration and was always highest at the biofilm surface; the stimulating effect of elevated CO2 concentration in the gas phase on photosynthesis was enhanced by higher light intensities. The dissolved inorganic carbon concentration profiles suggest that the availability of the dissolved free CO2 has the strongest impact on photosynthetic productivity. The results suggest that dark respiration could explain previously observed decrease in growth rate over cultivation time in this type of PSBR. Our results represent a basis for understanding the complex dynamics of environmental variables and metabolic processes in artificial phototrophic biofilms exposed to a gas phase and can be used to improve the design and operational parameters of PSBRs. Biotechnol. Bioeng. 2016;113: 1046-1055. (c) 2015 Wiley Periodicals, Inc.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos (up) 000373476700013 Publication Date 2015-10-24  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0006-3592 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:133255 Serial 8248  
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Author Pardoen, T.; Colla, M.-S.; Idrissi, H.; Amin-Ahmadi, B.; Wang, B.; Schryvers, D.; Bhaskar, U.K.; Raskin, J.-P. pdf  url
doi  openurl
  Title A versatile lab-on-chip test platform to characterize elementary deformation mechanisms and electromechanical couplings in nanoscopic objects Type A1 Journal article
  Year 2016 Publication Comptes rendus : physique Abbreviated Journal Cr Phys  
  Volume 17 Issue 17 Pages 485-495  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract A nanomechanical on-chip test platform has recently been developed to deform under a variety of loading conditions freestanding thin films, ribbons and nanowires involving submicron dimensions. The lab-on-chip involves thousands of elementary test structures from which the elastic modulus, strength, strain hardening, fracture, creep properties can be extracted. The technique is amenable to in situ transmission electron microscopy (TEM) investigations to unravel the fundamental underlying deformation and fracture mechanisms that often lead to size-dependent effects in small-scale samples. The method allows addressing electrical and magnetic couplings as well in order to evaluate the impact of large mechanical stress levels on different solid-state physics phenomena. We had the chance to present this technique in details to Jacques Friedel in 2012 who, unsurprisingly, made a series of critical and very relevant suggestions. In the spirit of his legacy, the paper will address both mechanics of materials related phenomena and couplings with solids state physics issues.  
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  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos (up) 000373524300020 Publication Date 2015-12-01  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1631-0705 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.048 Times cited 7 Open Access  
  Notes This research has been performed with the financial support of the “Politique scientifique fédérale” under the framework of the interuniversity attraction poles program, IAP7/21, as well as with the support of the “Communauté française de Belgique” under the program “Actions de recherche concertées” ARC 05/10-330 and ARC Convention No. 11/16-037. The support of the “Fonds belge pour la recherche dans l'industrie et l'agriculture (FRIA)” for M.-S. Colla is also gratefully acknowledged as are the FWO research projects G012012N “Understanding nanocrystalline mechanical behavior from structural investigations” for B. Amin-Ahmadi. Approved Most recent IF: 2.048  
  Call Number c:irua:129995 Serial 4014  
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Author Zanaga, D.; Altantzis, T.; Sanctorum, J.; Freitag, B.; Bals, S. pdf  url
doi  openurl
  Title An alternative approach for ζ-factor measurement using pure element nanoparticles Type A1 Journal article
  Year 2016 Publication Ultramicroscopy Abbreviated Journal Ultramicroscopy  
  Volume 164 Issue 164 Pages 11-16  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract It is very challenging to measure the chemical composition of hetero nanostructures in a reliable and quantitative manner. Here, we propose a novel and straightforward approach that can be used to quantify energy dispersive X-ray spectra acquired in a transmission electron microscope. Our method is based on a combination of electron tomography and the so-called ζ-factor technique. We will demonstrate the reliability of our approach as well as its applicability by investigating Au-Ag and Au-Pt hetero nanostructures. Given its simplicity, we expect that the method could become a new standard in the field of chemical characterization using electron microscopy.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos (up) 000373526200002 Publication Date 2016-03-10  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0304-3991 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.843 Times cited 19 Open Access OpenAccess  
  Notes The authors acknowledge financial support from the European Research Council (ERC Starting Grant # 335078-COLOURATOMS) and the European Union under the FP7 (Integrated Infrastructure Initiative N. 312483 – ESTEEM2). The authors would also like to thank Luis M. Liz-Marzán, Ana Sánchez-Iglesias, Stefanos Mourdikoudis and Cristina Fernández-López for sample provision and useful discussions.; esteem2jra4; ECASSara; (ROMEO:green; preprint:; postprint:can ; pdfversion:cannot); Approved Most recent IF: 2.843  
  Call Number EMAT @ emat @ Serial 4019  
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Author Zanaga, D.; Altantzis, T.; Sanctorum, J.; Freitag, B.; Bals, S. pdf  url
doi  openurl
  Title An alternative approach for \zeta-factor measurement using pure element nanoparticles Type A1 Journal article
  Year 2016 Publication Ultramicroscopy Abbreviated Journal Ultramicroscopy  
  Volume 164 Issue Pages 11-16  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract It is very challenging to measure the chemical composition of hetero nanostructures in a reliable and quantitative manner. Here, we propose a novel and straightforward approach that can be used to quantify energy dispersive X-ray spectra acquired in a transmission electron microscope. Our method is based on a combination of electron tomography and the so-called zeta-factor technique. We will demonstrate the reliability of our approach as well as its applicability by investigating Au-Ag and Au-Pt hetero nanostructures. Given its simplicity, we expect that the method could become a new standard in the field of chemical characterization using electron microscopy. (C) 2016 Elsevier B.V. All rights reserved.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Amsterdam Editor  
  Language Wos (up) 000373526200002 Publication Date 2016-03-10  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0304-3991 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.843 Times cited 19 Open Access OpenAccess  
  Notes ; The authors acknowledge financial support from the European Research Council (ERC Starting Grant # 335078-COLOURATOMS) and the European Union under the FP7 (Integrated Infrastructure Initiative N. 312483 – ESTEEM2). ; ecas_Sara Approved Most recent IF: 2.843  
  Call Number UA @ lucian @ c:irua:133259 Serial 4439  
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Author Leus, K.; Dendooven, J.; Tahir, N.; Ramachandran, R.; Meledina, M.; Turner, S.; Van Tendeloo, G.; Goeman, J.; Van der Eycken, J.; Detavernier, C.; Van Der Voort, P. url  doi
openurl 
  Title Atomic Layer Deposition of Pt Nanoparticles within the Cages of MIL-101: A Mild and Recyclable Hydrogenation Catalyst Type A1 Journal article
  Year 2016 Publication Nanomaterials Abbreviated Journal Nanomaterials-Basel  
  Volume 6 Issue 6 Pages 45  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract We present the in situ synthesis of Pt nanoparticles within MIL-101-Cr (MIL = Materials Institute Lavoisier) by means of atomic layer deposition (ALD). The obtained Pt@MIL-101 materials were characterized by means of N2 adsorption and X-ray powder diffraction (XRPD) measurements, showing that the structure of the metal organic framework was well preserved during the ALD deposition. X-ray fluorescence (XRF) and transmission electron microscopy (TEM) analysis confirmed the deposition of highly dispersed Pt nanoparticles with sizes determined by the MIL-101-Cr pore sizes and with an increased Pt loading for an increasing number of ALD cycles. The Pt@MIL-101 material was examined as catalyst in the hydrogenation of different linear and cyclic olefins at room temperature, showing full conversion for each substrate. Moreover, even under solvent free conditions, full conversion of the substrate was observed. A high concentration test has been performed showing that the Pt@MIL-101 is stable for a long reaction time without loss of activity, crystallinity and with very low Pt leaching.  
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  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos (up) 000373533300009 Publication Date 2016-03-09  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2079-4991 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.553 Times cited 19 Open Access  
  Notes Karen Leus acknowledges the financial support from the Ghent University “Bijzonder Onderzoeksfonds” BOF post-doctoral Grant 01P06813T and UGent “Geconcentreeerde Onderzoekacties” GOA Grant 01G00710. Jolien Dendooven and Stuart Turner gratefully acknowledges the “Fonds Wetenschappelijk Onderzoek” FWO Vlaanderen for a post-doctoral scholarship. Christophe Detavernier thanks the FWO Vlaanderen, BOF-UGent (GOA 01G01513) and the Hercules Foundation (AUGE/09/014) for financial support. The Titan microscope used for this investigation was partially funded by the Hercules foundation of the Flemish government. This work was supported by the “Belgian Interuniversitaire Attractie Pool-Pôle d'Attraction Interuniversitaire” IAP-PAI network. Approved Most recent IF: 3.553  
  Call Number c:irua:131902 Serial 4015  
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Author Moretti, M.; De Boni, A.; Roma, R.; Fracchiolla, M.; Van Passel, S. pdf  doi
openurl 
  Title Integrated assessment of agro-ecological systems : the case study of the “Alta Murgia” National park in Italy Type A1 Journal article
  Year 2016 Publication Agricultural Systems Abbreviated Journal Agr Syst  
  Volume 144 Issue Pages 144-155  
  Keywords A1 Journal article; Engineering Management (ENM)  
  Abstract Several indicators and methods are already applied for sustainability assessment in agriculture. The links between sustainability indicators, agricultural management and policies are not well explained. The aim of this study is to combine biophysical and monetary sustainability assessment tools to support agriculture policy decision-making. Three methodological steps are considered: i) the environmental impacts of farms are assessed using terrestrial acidification, freshwater eutrophication, soil and freshwater ecotoxicity as well as natural land transformation; ii) the most relevant indicators of agriculture damages on ecosystems quality are aggregated into an index; iii) the farms' index scores are integrated with farm assets, land and labor, into the Sustainable Value approach (SVA), as indicator of natural resources used by farms. As a case study, the methodology was applied to arable farms with and without animal husbandry of the “Alta Murgia” National Park. The crop farms, in our sample, have a higher sustainable value using their economic and environmental resources. Mixed farms need to improve their resources use efficiency. Although crop farms have lower land-use efficiency compared to mixed farms, our results suggest supporting, by means of policy options, the specialized crop farms that, on average, perform better in terms of ecosystems quality preservation. Finally, we find that Life Cycle Assessment (LCA) to soundly measure the environmental impacts clearly enriches the SVA. (C) 2016 Elsevier Ltd. All rights reserved.  
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  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos (up) 000373553100014 Publication Date 2016-02-27  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0308-521x ISBN Additional Links UA library record; WoS full record; WoS citing articles; WoS full record; WoS citing articles  
  Impact Factor 2.571 Times cited 6 Open Access  
  Notes ; We would like to thank the editor and the anonymous referees for their helpful suggestions and insightful comments that have significantly improved the paper. The authors want to thank the “Alta Murgia” Park Authority for the support in this study and all farmers that collaborated with the authors providing data. Moreover, the authors want to thank Dr. Sylvestre Njakou Djomo for the useful discussion and suggestion to build the LCA model. ; Approved Most recent IF: 2.571  
  Call Number UA @ admin @ c:irua:133254 Serial 6218  
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Author Bakalov, P.; Esfahani, D.N.; Covaci, L.; Peeters, F.M.; Tempere, J.; Locquet, J.-P. url  doi
openurl 
  Title Electric-field-driven Mott metal-insulator transition in correlated thin films : an inhomogeneous dynamical mean-field theory approach Type A1 Journal article
  Year 2016 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 93 Issue 93 Pages 165112  
  Keywords A1 Journal article; Theory of quantum systems and complex systems; Condensed Matter Theory (CMT)  
  Abstract Simulations are carried out based on the dynamical mean-field theory (DMFT) in order to investigate the properties of correlated thin films for various values of the chemical potential, temperature, interaction strength, and applied transverse electric field. Application of a sufficiently strong field to a thin film at half filling leads to the appearance of conducting regions near the surfaces of the film, whereas in doped slabs the application of a field leads to a conductivity enhancement on one side of the film and a gradual transition to the insulating state on the opposite side. In addition to the inhomogeneous DMFT, a local density approximation (LDA) is considered in which the particle density n, quasiparticle residue Z, and spectral weight at the Fermi level A(ω=0) of each layer are approximated by a homogeneous bulk environment. A systematic comparison between the two approaches reveals that the less expensive LDA results are in good agreement with the DMFT approach, except close to the metal-to-insulator transition points and in the layers immediately at the film surfaces. LDA values for n are overall more reliable than those for Z and A(ω=0). The hysteretic behavior (memory effect) characteristic of the bulk doping driven Mott transition persists in the slab.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Lancaster, Pa Editor  
  Language Wos (up) 000373572700002 Publication Date 2016-04-09  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1098-0121; 1550-235x ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.836 Times cited 5 Open Access  
  Notes ; This work was partially funded by the Flemish Fund for Scientific Research (FWO Belgium) under FWO Grant No. G.0520.10 and the joint FWF (Austria)-FWO Grant No. GOG6616N, and by the SITOGA FP7 project. Most of the calculations were performed on KU Leuven's ThinKing HPC cluster provided by the VSC (Flemish Supercomputer Center), funded by the FWO and the Flemish Government-department EWI. ; Approved Most recent IF: 3.836  
  Call Number UA @ lucian @ c:irua:132872 Serial 4167  
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Author Mirzakhani, M.; Zarenia, M.; Ketabi, S.A.; da Costa, D.R.; Peeters, F.M. url  doi
openurl 
  Title Energy levels of hybrid monolayer-bilayer graphene quantum dots Type A1 Journal article
  Year 2016 Publication Physical review B Abbreviated Journal Phys Rev B  
  Volume 93 Issue 93 Pages 165410  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Often real samples of graphene consist of islands of both monolayer and bilayer graphene. Bound states in such hybrid quantum dots are investigated for (i) a circular single-layer graphene quantum dot surrounded by an infinite bilayer graphene sheet and (ii) a circular bilayer graphene quantum dot surrounded by an infinite single-layer graphene. Using the continuum model and applying zigzag boundary conditions at the single-layer-bilayer graphene interface, we obtain analytical results for the energy levels and the corresponding wave spinors. Their dependence on perpendicular magnetic and electric fields are studied for both types of quantum dots. The energy levels exhibit characteristics of interface states, and we find anticrossings and closing of the energy gap in the presence of a bias potential.  
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  Corporate Author Thesis  
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  Language Wos (up) 000373572700004 Publication Date 2016-04-09  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2469-9950;2469-9969; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.836 Times cited 26 Open Access  
  Notes ; This work was supported by the Fonds Wetenschappelijk Onderzoek (FWO)-CNPq project between Flanders and Brazil and the Brazilian Science Without Borders program. ; Approved Most recent IF: 3.836  
  Call Number UA @ lucian @ c:irua:133261 Serial 4174  
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Author Janssens, K.; van der Snickt, G.; Alfeld, M.; Noble, P.; van Loon, A.; Delaney, J.; Conover, D.; Zeibel, J.; Dik, J. pdf  doi
openurl 
  Title Rembrandt's 'Saul and David' (c. 1652) : use of multiple types of smalt evidenced by means of non-destructive imaging Type A1 Journal article
  Year 2016 Publication Microchemical journal Abbreviated Journal Microchem J  
  Volume 126 Issue Pages 515-523  
  Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)  
  Abstract The painting Saul and David, considered to date from c. 1652 and previously attributed to Rembrandt van Rijn and/or his studio, is a complex work of art that has been recently subjected to intensive investigation and conservation treatment. The goal of the research was to give insight into the painting's physical construction and condition in preparation for conservation treatment. It was also anticipated that analysis would shed light on authenticity questions and Rembrandt's role in the creation of the painting. The painting depicts the Old Testament figures of King Saul and David. At left is Saul, seated, holding a spear and wiping a tear from his eye with a curtain. David kneels before him at the right playing his harp. In the past, the large sections with the life-size figures were cut apart and later reassembled. A third piece of canvas was added to replace a missing piece of canvas above the head of David. As part of the investigation into the authenticity of the curtain area, a number of paint micro samples were examined with LM and SEM-EDX. Given that the earth, smalt and lake pigments used in the painting could not be imaged with traditional imaging techniques, the entire painting was also examined with state of the art non-destructive imaging techniques. Special attention was devoted to the presence of cobalt-containing materials, specifically the blue glass pigment smalt considered characteristic for the late Rembrandt. A combination of quantitative electron microprobe analysis and macroscopic X-ray fluorescence scanning revealed that three types of cobalt-containing materials are present in the painting. The first type is a cobalt drier that was found in the overpaint used to cover up the canvas inset and the joins that were added in the 19th century. The other two Co-containing materials are part of the original paint used by Rembrandt and comprise two varieties of smalt, a K-rich glass pigment that derives its gray-blue color by doping with Co-ions. Smalt paint with a higher Ni content (NiO:CoO ratio of around 1:4) was used to depict the blue stripes in Saul's colorful turban, while smalt with a lower Ni content was employed (NiO:CoO ratio of around 1:5) for the broad expanses of Saul's garments. The presence of two types of smalt not only supports the recent re-attribution of the painting to Rembrandt, but also that the picture was painted in two phases. Saul's dark red garment is painted in a rough, “loose” manner and the now discolored smalt-rich layer was found to have been partially removed during a past restoration treatment/s. In contrast, the blue-green smalt in the turban is much better preserved and provides a colorful accent. While the use of different types of smalt in a Rembrandt painting has been previously identified using quantitative EDX analysis of paint cross-sections, to the best of our knowledge this is the first time such a distinction has been observed in a 17th-century painting using non-destructive imaging techniques. In addition to the XRF-based non-invasive elemental mapping, hyperspectral imaging in the visual to near-infrared (VNIR) region was also carried out. (C) 2016 Elsevier B.V. All rights reserved.  
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  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos (up) 000373647500063 Publication Date 2016-01-29  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0026-265x; 0026-265x ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.034 Times cited 18 Open Access  
  Notes ; This research is part of the ReVisualising late Rembrandt: Developing and Applying New Imaging Techniques research project, supported by the Science4Arts research program of the Netherlands Organisation for Scientific Research (NWO, The Hague, NL, ReVisRembrandt project) and the National Science Foundation (NSF, Washington DC, USA, award 1041827). We would like to thank colleagues of the Mauritshuis (The Hague, NL) and the Dutch Cultural Heritage Agency (RCE) in Rijswijk, NL for their support and assistance during the scanning of the Saul and David painting. The GOA project “SOLARPAINT” (University of Antwerp) and the Fund Baillet Latour (Brussels, B) are acknowledged for financial support to GvdS and KJ. We also like to acknowledge the help of Eliza Longhini and Stijn Legrand during some of the XRF scanning stages. ; Approved Most recent IF: 3.034  
  Call Number UA @ admin @ c:irua:133258 Serial 5813  
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Author Verbruggen, S.W.; Keulemans, M.; van Walsem, J.; Tytgat, T.; Lenaerts, S.; Denys, S. pdf  url
doi  openurl
  Title CFD modeling of transient adsorption/desorption behavior in a gas phase photocatalytic fiber reactor Type A1 Journal article
  Year 2016 Publication Chemical engineering journal Abbreviated Journal Chem Eng J  
  Volume 292 Issue Pages 42-50  
  Keywords A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)  
  Abstract We present the use of computational fluid dynamics (CFD) for accurately determining the adsorption parameters of acetaldehyde on photocatalytic fiber filter material, integrated in a continuous flow system. Unlike the traditional analytical analysis based on Langmuir adsorption, not only steady-state situations but also transient phenomena can be accounted for. Air displacement effects in the reactor and gas detection cell are investigated and inherently made part of the model. Incorporation of a surface aldol condensation reaction in the CFD analysis further improves the accuracy of the model which enables to extract precise, intrinsic adsorption parameters for situations in which analytical analysis would otherwise fail.  
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  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos (up) 000373648000005 Publication Date 2016-02-09  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1385-8947; 1873-3212 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 6.216 Times cited 12 Open Access  
  Notes ; S.W.V. acknowledges the Research Foundation – Flanders (FWO) for a postdoctoral fellowship. M.K. acknowledges the IWT for a Ph.D. fellowship. Konstantina Kalafata and Ioanna Fasaki are greatly thanked for providing the NanoPhos suspension. Bioscience Engineering bachelor students M. Gerritsma, J. Helsen and Y. Riahi Drif are thanked for their assistance in performing the adsorption experiments. ; Approved Most recent IF: 6.216  
  Call Number UA @ admin @ c:irua:130876 Serial 5934  
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Author Craco, L.; Carara, S.S.; da Silva Pereira, T.A.; Milošević, M.V. url  doi
openurl 
  Title Electronic states in an atomistic carbon quantum dot patterned in graphene Type A1 Journal article
  Year 2016 Publication Physical review B Abbreviated Journal Phys Rev B  
  Volume 93 Issue 93 Pages 155417  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract We reveal the emergence of metallicKondo clouds in an atomistic carbon quantum dot, realized as a single-atom junction in a suitably patterned graphene nanoflake. Using density functional dynamical mean-field theory (DFDMFT) we show how correlation effects lead to striking features in the electronic structure of our device, and how those are enhanced by the electron-electron interactions when graphene is patterned at the atomistic scale. Our setup provides a well-controlled environment to understand the principles behind the orbital-selective Kondo physics and the interplay between orbital and spin degrees of freedom in carbon-based nanomaterials, which indicate new pathways for spintronics in atomically patterned graphene.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos (up) 000373760900004 Publication Date 2016-04-12  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2469-9950;2469-9969; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.836 Times cited 6 Open Access  
  Notes ; L.C.'s work is supported by CNPq (Proc. No. 307487/2014-8). Acknowledgment (L.C.) is also made to G. Seifert for discussions and the Department of Theoretical Chemistry at Technical University Dresden for hospitality. T.A.S.P. thanks PRONEX/CNPq/FAPEMAT 850109/2009 for financial support. M.V.M. acknowledges support from Research Foundation-Flanders (FWO), TOPBOF, and the CAPES-PVE program. ; Approved Most recent IF: 3.836  
  Call Number UA @ lucian @ c:irua:133260 Serial 4171  
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Author De Dobbelaere, C.; Lourdes Calzada, M.; Bretos, I.; Jimenez, R.; Ricote, J.; Hadermann, J.; Hardy, A.; Van Bael, M.K. doi  openurl
  Title Gaining new insight into low-temperature aqueous photochemical solution deposited ferroelectric PbTiO3 films Type A1 Journal article
  Year 2016 Publication Materials chemistry and physics Abbreviated Journal Mater Chem Phys  
  Volume 174 Issue Pages 28-40  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract The nature of the low-temperature photochemical assisted formation process of ferroelectric lead titanate (PbTiO3) films is studied in the present work. Films are obtained by the deposition of an aqueous solution containing citric acid based (citrato) metal ion complexes with intrinsic UV activity. This UV activity is crucial for the aqueous photochemical solution deposition (aqueous PCSD) route being used. UV irradiation enhances the early decomposition of organics and results in improved electrical properties for the crystalline oxide film, even if the film is crystallized at low temperature. GATR-FTIR shows that UV irradiation promotes the decomposition of organic precursor components, resulting in homogeneous films if applied in the right temperature window during film processing. The organic content, morphology and crystallinity of the irradiated films, achieved at different processing atmospheres and temperatures, is studied and eventually correlated to the functional behavior of the obtained films. This is an important issue, as crystalline films obtained at low temperatures often lack ferroelectric responses. In this work, the film prepared in pure oxygen at the very low temperature of 400 degrees C and after an optimized UV treatment presents a significant remanent polarization value of P-r = 8.8 mu C cm(-2). This value is attributed to the better crystallinity, the larger grain size and the reduced porosity obtained thanks to the early film crystallization effectively achieved through the UV treatment in oxygen. (C) 2016 Elsevier B.V. All rights reserved.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Lausanne Editor  
  Language Wos (up) 000373865700005 Publication Date 2016-03-16  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0254-0584 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.084 Times cited 4 Open Access  
  Notes Approved Most recent IF: 2.084  
  Call Number UA @ lucian @ c:irua:144729 Serial 4659  
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Author van den Broek, B.; Houssa, M.; Iordanidou, K.; Pourtois, G.; Afanas'ev, V.V.; Stesmans, A. doi  openurl
  Title Functional silicene and stanene nanoribbons compared to graphene: electronic structure and transport Type A1 Journal article
  Year 2016 Publication 2D materials Abbreviated Journal 2D Mater  
  Volume 3 Issue 1 Pages 015001  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract Since the advent of graphene, other 2D materials have garnered interest; notably the single element materials silicene, germanene, and stanene. Weinvestigate the ballistic current-voltage (I-V) characteristics of armchair silicene and stanene armchair nanoribbons (AXNRs with X = Si, Sn) using a combination of density functional theory and non-equilibrium Green's functions. The impact of out-of-plane electric field and in-plane uniaxial strain on the ribbon geometries, electronic structure, and (I-V)s are considered and contrasted with graphene. Since silicene and stanene are sp(2)/sp(3) buckled layers, the electronic structure can be tuned by an electric field that breaks the sublattice symmetry, an effect absent in graphene. This decreases the current by similar to 50% for Sn, since it has the largest buckling. Uniaxial straining of the ballistic channel affects the AXNR electronic structure in multiple ways: it changes the bandgap and associated effective carrier mass, and creates a local buckling distortion at the lead-channel interface which induces a interface dipole. Due to the increasing sp(3) hybridization character with increasing element mass, large reconstructions rectify the strained systems, an effect absent in sp(2) bonded graphene. This results in a smaller strain effect on the current: a decrease of 20% for Sn at 15% tensile strain compared to a similar to 75% decrease for C.  
  Address  
  Corporate Author Thesis  
  Publisher IOP Publishing Place of Publication Bristol Editor  
  Language Wos (up) 000373936300021 Publication Date 2016-01-06  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2053-1583 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 6.937 Times cited 19 Open Access  
  Notes Approved Most recent IF: 6.937  
  Call Number UA @ lucian @ c:irua:144746 Serial 4658  
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Author Van Duppen, B.; Tomadin, A.; Grigorenko, A.N.; Polini, M. url  doi
openurl 
  Title Current-induced birefringent absorption and non-reciprocal plasmons in graphene Type A1 Journal article
  Year 2016 Publication 2D materials Abbreviated Journal 2D Mater  
  Volume 3 Issue 3 Pages 015011  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract We present extensive calculations of the optical and plasmonic properties of a graphene sheet carrying a dc current. By calculating analytically the density-density response function of current-carrying states at finite temperature, we demonstrate that an applied dc current modifies the Pauli blocking mechanism and that absorption acquires a birefringent character with respect to the angle between the in-plane light polarization and current flow. Employing the random phase approximation at finite temperature, we show that graphene plasmons display a degree of non-reciprocity and collimation that can be tuned with the applied current. We discuss the possibility to measure these effects.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos (up) 000373936300031 Publication Date 2016-02-23  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2053-1583 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 6.937 Times cited 5 Open Access  
  Notes This work was supported by the EC under the Graphene Flagship program (contract no. CNECT- ICT-604391) and MIUR through the program ‘Pro- getti Premiali 2012’ – Project ‘ABNANOTECH’. B.V. D. wishes to thank the Scuola Normale Superiore (Pisa, Italy) for the kind hospitality while this work was carried out and Research Foundation Flanders (FWO- Vl) for a PhD Fellowship. Approved Most recent IF: 6.937  
  Call Number c:irua:131900 c:irua:131900 Serial 4017  
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Author De Schutter, B.; Van Stiphout, K.; Santos, N.M.; Bladt, E.; Jordan-Sweet, J.; Bals, S.; Lavoie, C.; Comrie, C.M.; Vantomme, A.; Detavernier, C. pdf  url
doi  openurl
  Title Phase formation and texture of thin nickel germanides on Ge(001) and Ge(111) Type A1 Journal article
  Year 2016 Publication Journal of applied physics Abbreviated Journal J Appl Phys  
  Volume 119 Issue 119 Pages 135305  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract We studied the solid-phase reaction between a thin Nifilm and a single crystal Ge(001) or Ge(111) substrate during a ramp anneal. The phase formation sequence was determined using in situX-ray diffraction and in situRutherford backscattering spectrometry (RBS), while the nature and the texture of the phases were studied using X-ray pole figures and transmission electron microscopy. The phase sequence is characterized by the formation of a single transient phase before NiGe forms as the final and stable phase. X-ray pole figures were used to unambiguously identify the transient phase as the ϵ-phase, a non-stoichiometric Ni-rich germanide with a hexagonal crystal structure that can exist for Ge concentrations between 34% and 48% and which forms with a different epitaxial texture on both substrate orientations. The complementary information gained from both RBS and X-ray pole figure measurements revealed a simultaneous growth of both the ϵ-phase and NiGe over a small temperature window on both substrate orientations.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos (up) 000374150200035 Publication Date 2016-04-05  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0021-8979 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.068 Times cited 14 Open Access OpenAccess  
  Notes The authors thank the FWO-vlaanderen, BOF-UGent (under Contract No. “GOA 01G01513”) and the Hercules Foundation (under Project No. “AUGE/09/014”) for financial support. S. Bals acknowledges financial support from European Research Council (ERC Starting Grant No. “#335078-COLOURATOMS”). A. Vantomme thanks the BOF-KULeuven (under Contract No. “GOA/14/007”) and the Joint Science and Technology Collaboration between the FWO (G.0031.14) and NRF (UID88013). The National Synchrotron Light Source (NSLS), Brookhaven National Laboratory, was supported by the U.S. Department of Energy, Office of Basic Energy Sciences (Contract No. DE-AC02-98CH10886).; ECAS_Sara; (ROMEO:green; preprint:; postprint:can ; pdfversion:restricted); Approved Most recent IF: 2.068  
  Call Number c:irua:132897 Serial 4066  
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Author Paolella, A.; Turner, S.; Bertoni, G.; Hovington, P.; Flacau, R.; Boyer, C.; Feng, Z.; Colombo, M.; Marras, S.; Prato, M.; Manna, L.; Guerfi, A.; Demopoulos, G.P.; Armand, M.; Zaghib, K.; url  doi
openurl 
  Title Accelerated removal of Fe-antisite defects while nanosizing hydrothermal LiFePO4 with Ca2+ Type A1 Journal article
  Year 2016 Publication Nano letters Abbreviated Journal Nano Lett  
  Volume 16 Issue 16 Pages 2692-2697  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract Based on neutron powder diffraction (NPD) and high angle annular dark field scanning transmission electron microscopy (HAADF-STEM), we show that calcium ions help eliminate the Fe-antisite defects by controlling the nucleation and evolution of the LiFePO4 particles during their hydrothermal synthesis. This Ca-regulated formation of LiFePO4 particles has an overwhelming impact on the removal of their iron antisite defects during the subsequent carbon coating step since (i) almost all the Fe-antisite defects aggregate at the surface of the LiFePO4 crystal when the crystals are small enough and (ii) the concomitant increase of the surface area, which further exposes the Fe-antisite defects. Our results not only justify a low-cost, efficient and reliable hydrothermal synthesis method for LiFePO4 but also provide a promising alternative viewpoint on the mechanism controlling the nanosizing of LiFePO4, which leads to improved electrochemical performances.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Washington Editor  
  Language Wos (up) 000374274600084 Publication Date 2016-03-11  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1530-6984 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 12.712 Times cited 30 Open Access  
  Notes Approved Most recent IF: 12.712  
  Call Number UA @ lucian @ c:irua:133600 Serial 4134  
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Author Schrittwieser, S.; Pelaz, B.; Parak, W.J.; Lentijo-Mozo, S.; Soulantica, K.; Dieckhoff, J.; Ludwig, F.; Altantzis, T.; Bals, S.; Schotter, J. pdf  url
doi  openurl
  Title Homogeneous Protein Analysis by Magnetic Core-Shell Nanorod Probes Type A1 Journal article
  Year 2016 Publication ACS applied materials and interfaces Abbreviated Journal Acs Appl Mater Inter  
  Volume 8 Issue 8 Pages 8893-8899  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract Studying protein interactions is of vital importance both to fundamental biology research and to medical applications. Here, we report on the experimental proof of a universally applicable label-free homogeneous platform for rapid protein analysis. It is based on optically detecting changes in the rotational dynamics of magnetically agitated core-shell nanorods upon their specific interaction with proteins. By adjusting the excitation frequency, we are able to optimize the measurement signal for each analyte protein size. In addition, due to the locking of the optical signal to the magnetic excitation frequency, background signals are suppressed, thus allowing exclusive studies of processes at the nanoprobe surface only. We study target proteins (soluble domain of the human epidermal growth factor receptor 2 – sHER2) specifically binding to antibodies (trastuzumab) immobilized on the surface of our nanoprobes and demonstrate direct deduction of their respective sizes. Additionally, we examine the dependence of our measurement signal on the concentration of the analyte protein, and deduce a minimally detectable sHER2 concentration of 440 pM. For our homogeneous measurement platform, good dispersion stability of the applied nanoprobes under physiological conditions is of vital importance. To that end, we support our measurement data by theoretical modeling of the total particle-particle interaction energies. The successful implementation of our platform offers scope for applications in biomarker-based diagnostics as well as for answering basic biology questions.  
  Address Molecular Diagnostics, AIT Austrian Institute of Technology , Vienna, Austria  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language English Wos (up) 000374274900007 Publication Date 2016-03-29  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1944-8244 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 7.504 Times cited 16 Open Access OpenAccess  
  Notes The authors thank Frauke Alves, Julia Bode and Fernanda Ramos Gomes from the Max-Planck-Institute of Experimental Medicine in Göttingen for providing the trastuzumab antibody in form of the Herceptin therapeutic drug. The figure showing the measurement principle has been created by Darragh Crotty (www.darraghcrotty.com). Parts of this research were supported by the European Commission FP7 NAMDIATREAM project (EU NMP4-LA-2010−246479), by the German research foundation (DFG grant GRK 1782 to W.J.P.), and by the European Research Council (ERC Starting Grant #335078 Colouratom). B.P. acknowledges a PostDoctoral fellowship from the Alexander von Humboldt foundation. (ROMEO:white; preprint:; postprint:restricted 12 months embargo; pdfversion:cannot); ; ECAS_Sara; Approved Most recent IF: 7.504  
  Call Number c:irua:132889 Serial 4059  
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Author Ilin, A.; Martyshov, M.; Forsh, E.; Forsh, P.; Rumyantseva, M.; Abakumov, A.; Gaskov, A.; Kashkarov, P. pdf  doi
openurl 
  Title UV effect on NO2 sensing properties of nanocrystalline In2O3 Type A1 Journal article
  Year 2016 Publication Sensors and actuators : B : chemical Abbreviated Journal Sensor Actuat B-Chem  
  Volume 231 Issue 231 Pages 491-496  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract Nanocrystalline indium oxide films with extremely small grains in range of 7-40 nm are prepared by sol-gel method. The influence of grain size on the sensitivity of indium oxide to nitrogen dioxide in low concentration at room temperature is investigated under the UV illumination and without illumination. The sensitivity increases with the decrease of grain sizes when In2O3 is illuminated while in the dark In2O3 with intermediate grain size exhibits the highest response. An explanation of the different behavior of the In2O3 with different grain size sensitivity to NO2 under illumination and in the dark is proposed. We demonstrate that pulsed illumination may be used for NO2 detection at room temperature that significantly reduces the power consumption of sensor. (C) 2016 Elsevier B.V. All rights reserved.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Lausanne Editor  
  Language Wos (up) 000374330900055 Publication Date 2016-03-16  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0925-4005 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 5.401 Times cited 27 Open Access  
  Notes Approved Most recent IF: 5.401  
  Call Number UA @ lucian @ c:irua:133630 Serial 4273  
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Author Sivek, J.; Sahin, H.; Partoens, B.; Peeters, F.M. pdf  doi
openurl 
  Title Giant magnetic anisotropy in doped single layer molybdenum disulfide and fluorographene Type A1 Journal article
  Year 2016 Publication Journal of physics : condensed matter Abbreviated Journal J Phys-Condens Mat  
  Volume 28 Issue 28 Pages 195301  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Stable monolayer materials based on existing, well known and stable two-dimensional crystal fluorographene and molybdenum disulfide are predicted to exhibit a huge magnetocrystalline anisotropy when functionalized with adsorbed transition metal atoms at vacant sides. Ab initio calculations within the density-functional theory formalism were performed to investigate the adsorption of the transitional metals in a single S (or F) vacancy of monolayer molybdenum disulfide (or fluorographene). We found strong bonding of the transitional metal atoms to the vacant sites with binding energies ranging from 2.5 to 5.2 eV. Our calculations revealed that these systems with adsorbed metal atoms exhibit a magnetic anisotropy, specifically the structures including Os and Ir show a giant magnetocrystalline anisotropy energy of 31-101 meV. Our results demonstrate the possibility of obtaining stable monolayer materials with huge magnetocrystalline anisotropy based on preexisting, well known and stable two-dimensional crystals: fluorographene and molybdenum disulfide. We believe that the results obtained here are useful not only for deeper understanding of the origin of magnetocrystalline anisotropy but also for the design of monolayer optoelectronic devices with novel functionalities.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication London Editor  
  Language Wos (up) 000374394700007 Publication Date 2016-04-13  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0953-8984 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.649 Times cited 7 Open Access  
  Notes Approved Most recent IF: 2.649  
  Call Number UA @ lucian @ c:irua:133611 Serial 4185  
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Author Cukaric, N.A.; Partoens, B.; Tadic, M.Z.; Arsoski, V.V.; Peeters, F.M. pdf  doi
openurl 
  Title The 30-band k . p theory of valley splitting in silicon thin layers Type A1 Journal article
  Year 2016 Publication Journal of physics : condensed matter Abbreviated Journal J Phys-Condens Mat  
  Volume 28 Issue 28 Pages 195303  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract The valley splitting of the conduction-band states in a thin silicon-on-insulator layer is investigated using the 30-band k . p theory. The system composed of a few nm thick Si layer embedded within thick SiO2 layers is analyzed. The valley split states are found to cross periodically with increasing quantum well width, and therefore the energy splitting is an oscillatory function of the quantum well width, with period determined by the wave vector K-0 of the conduction band minimum. Because the valley split states are classified by parity, the optical transition between the ground hole state and one of those valley split conduction band states is forbidden. The oscillations in the valley splitting energy decrease with electric field and with smoothing of the composition profile between the well and the barrier by diffusion of oxygen from the SiO2 layers to the Si quantum well. Such a smoothing also leads to a decrease of the interband transition matrix elements. The obtained results are well parametrized by the effective two-valley model, but are found to disagree from previous 30-band calculations. This discrepancy could be traced back to the fact that the basis for the numerical solution of the eigenproblem must be restricted to the first Brillouin zone in order to obtain quantitatively correct results for the valley splitting.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication London Editor  
  Language Wos (up) 000374394700009 Publication Date 2016-04-19  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0953-8984 ISBN Additional Links UA library record; WoS full record  
  Impact Factor 2.649 Times cited Open Access  
  Notes ; This work was supported by the Ministry of Education, Science, and Technological Development of Serbia, the Flemish fund for Scientific Research (FWO-Vl), and the Methusalem programme of the Flemish government. ; Approved Most recent IF: 2.649  
  Call Number UA @ lucian @ c:irua:133610 Serial 4261  
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Author Nguyen Thi Tuyet; Nguyen Phuoc Dan; Nguyen Cong Vu; Nguyen Le Hoang Trung; Bui Xuan Thanh; De Wever, H.; Goemans, M.; Diels, L. doi  openurl
  Title Laboratory-scale membrane up-concentration and co-anaerobic digestion for energy recovery from sewage and kitchen waste Type A1 Journal article
  Year 2016 Publication Water science and technology Abbreviated Journal  
  Volume 73 Issue 3 Pages 597-606  
  Keywords A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL)  
  Abstract This study assessed an alternative concept for co-treatment of sewage and organic kitchen waste in Vietnam. The goal was to apply direct membrane filtration for sewage treatment to generate a permeate that is suitable for discharge. The obtained chemical oxygen demand (COD) concentrations in the permeate of ultrafiltration tests were indeed under the limit value (50 mg/L) of the local municipal discharge standards. The COD of the concentrate was 5.4 times higher than that of the initial feed. These concentrated organics were then co-digested with organic kitchen wastes at an organic loading rate of 2.0 kg VS/m(3).d. The volumetric biogas production of the digester was 1.94 +/- 0.34 m(3)/m(3).d. The recovered carbon, in terms of methane gas, accounted for 50% of the total carbon input of the integrated system. Consequently, an electrical production of 64 Wh/capita/d can be obtained when applying the proposed technology with the current wastes generated in Ho Chi Minh City. Thus, it is an approach with great potential in terms of energy recovery and waste treatment.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos (up) 000374396300018 Publication Date 2016-02-16  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0273-1223; 1996-9732 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor Times cited Open Access  
  Notes Approved no  
  Call Number UA @ admin @ c:irua:144749 Serial 8144  
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Author Ovsyannikov, S.V.; Bykov, M.; Bykova, E.; Kozlenko, D.P.; Tsirlin, A.A.; Karkin, A.E.; Shchennikov, V.V.; Kichanov, S.E.; Gou, H.; Abakumov, A.M.; Egoavil, R.; Verbeeck, J.; McCammon, C.; Dyadkin, V.; Chernyshov, D.; van Smaalen, S.; Dubrovinsky, L.S. pdf  url
doi  openurl
  Title Charge-ordering transition in iron oxide Fe4O5 involving competing dimer and trimer formation Type A1 Journal article
  Year 2016 Publication Nature chemistry Abbreviated Journal Nat Chem  
  Volume 8 Issue 8 Pages 501-508  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract Phase transitions that occur in materials, driven, for instance, by changes in temperature or pressure, can dramatically change the materials' properties. Discovering new types of transitions and understanding their mechanisms is important not only from a fundamental perspective, but also for practical applications. Here we investigate a recently discovered Fe4O5 that adopts an orthorhombic CaFe3O5-type crystal structure that features linear chains of Fe ions. On cooling below approximately 150 K, Fe4O5 undergoes an unusual charge-ordering transition that involves competing dimeric and trimeric ordering within the chains of Fe ions. This transition is concurrent with a significant increase in electrical resistivity. Magnetic-susceptibility measurements and neutron diffraction establish the formation of a collinear antiferromagnetic order above room temperature and a spin canting at 85 K that gives rise to spontaneous magnetization. We discuss possible mechanisms of this transition and compare it with the trimeronic charge ordering observed in magnetite below the Verwey transition temperature.  
  Address Bayerisches Geoinstitut, Universitat Bayreuth, Universitatsstrasse 30, D-95447, Bayreuth, Germany  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language English Wos (up) 000374534100019 Publication Date 2016-04-04  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1755-4330 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 25.87 Times cited 51 Open Access  
  Notes S.V.O. acknowledges the financial support of the Deutsche Forschungsgemeinschaft (DFG) under project OV-110/1-3. A.E.K. and V.V.S. acknowledge the support of the Russian Foundation for Basic Research (Project 14–02–00622a). H.G. acknowledges the support from the Alexander von Humboldt (AvH) Foundation and the National Natural Science Foundation of China (No. 51201148). A.M.A., R.E. and J.V. acknowledge financial support from the European Commission (EC) under the Seventh Framework Programme (FP7) under a contract for an Integrated Infrastructure Initiative, Reference No. 312483- ESTEEM2. R.E. acknowledges support from the EC under FP7 Grant No. 246102 IFOX. A.M.A. acknowledges funding from the Russian Science Foundation (Grant No. 14-13- 00680). A.A.T. acknowledges funding and from the Federal Ministry for Education and Research through the Sofja Kovalevkaya Award of the AvH Foundation. Funding from the Fund for Scientific Research Flanders under FWO Project G.0044.13N is acknowledged. M.B. and S.v.S. acknowledge support from the DFG under Project Sm55/15-2. We acknowledge the European Synchrotron Radiation Facility for the provision of synchrotron radiation facilities.; esteem2jra2; esteem2jra3 Approved Most recent IF: 25.87  
  Call Number c:irua:133593 c:irua:133593UA @ admin @ c:irua:133593 Serial 4068  
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Author Felgen, N.; Naydenov, B.; Turner, S.; Jelezko, F.; Reithmaier, J.P.; Popov, C. pdf  url
doi  openurl
  Title Incorporation and study of SiV centers in diamond nanopillars Type A1 Journal article
  Year 2016 Publication Diamond and related materials Abbreviated Journal Diam Relat Mater  
  Volume 64 Issue 64 Pages 64-69  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract We report on the incorporation of SiV centers during hot filament chemical vapor deposition of diamond on top of diamond nanopillars with diameters down to 100 nm. The nanopillars themselves were prepared from nano crystalline diamond films by applying electron beam lithography and inductively coupled plasma reactive ion etching. The optical investigations revealed the presence of ensembles of SiV color centers incorporated during the overgrowth step. (C) 2016 Elsevier B.V. All rights reserved.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Amsterdam Editor  
  Language Wos (up) 000374608100009 Publication Date 2016-01-16  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0925-9635 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.561 Times cited 14 Open Access  
  Notes Approved Most recent IF: 2.561  
  Call Number UA @ lucian @ c:irua:133623 Serial 4193  
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Author Degutis, G.; Pobedinskas, P.; Turner, S.; Lu, Y.-G.; Al Riyami, S.; Ruttens, B.; Yoshitake, T.; D'Haen, J.; Haenen, K.; Verbeeck, J.; Hardy, A.; Van Bael, M.K. pdf  url
doi  openurl
  Title CVD diamond growth from nanodiamond seeds buried under a thin chromium layer Type A1 Journal article
  Year 2016 Publication Diamond and related materials Abbreviated Journal Diam Relat Mater  
  Volume 64 Issue 64 Pages 163-168  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract This work presents a morphological and structural analysis of CVD diamond growth on silicon from nanodiamond seeds covered by a 50 nm thick chromium layer. The role of carbon diffusion as well as chromium and carbon silicide formation is analyzed. The local diamond environment is investigated by scanning transmission electron microscopy in combination with electron energy-loss spectroscopy. The evolution of the diamond phase composition (sp3/sp2) is evaluated by micro-Raman spectroscopy. Raman and X-ray diffraction analysis are used to identify the interfacial phases formed during CVD growth. Based upon the observed morphological and structural evolution, a diamond growth model from nanodiamond seeds buried beneath a thin Cr layer is proposed.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos (up) 000374608100020 Publication Date 2016-02-20  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0925-9635 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.561 Times cited 11 Open Access  
  Notes The authors acknowledge financial support provided by Research Program FWO G.056.810 and G0044.13N. A.H. and M.K.V.B are grateful to Hercules Foundation Flanders for financial support. P.P. and S.T. are Postdoctoral Fellows of the Research Foundation – Flanders (FWO). The Titan microscope used for this work was partially funded by the Hercules Foundation. Approved Most recent IF: 2.561  
  Call Number c:irua:133624UA @ admin @ c:irua:133624 Serial 4091  
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Author Zarenia, M.; Perali, A.; Peeters, F.M.; Neilson, D. url  doi
openurl 
  Title Large gap electron-hole superfluidity and shape resonances in coupled graphene nanoribbons Type A1 Journal article
  Year 2016 Publication Scientific reports Abbreviated Journal Sci Rep-Uk  
  Volume 6 Issue 6 Pages 24860  
  Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)  
  Abstract We predict enhanced electron-hole superfluidity in two coupled electron-hole armchair-edge terminated graphene nanoribbons separated by a thin insulating barrier. In contrast to graphene monolayers, the multiple subbands of the nanoribbons are parabolic at low energy with a gap between the conduction and valence bands, and with lifted valley degeneracy. These properties make screening of the electron-hole interaction much weaker than for coupled electron-hole monolayers, thus boosting the pairing strength and enhancing the superfluid properties. The pairing strength is further boosted by the quasi one-dimensional quantum confinement of the carriers, as well as by the large density of states near the bottom of each subband. The latter magnifies superfluid shape resonances caused by the quantum confinement. Several superfluid partial condensates are present for finite-width nanoribbons with multiple subbands. We find that superfluidity is predominately in the strongly-coupled BEC and BCS-BEC crossover regimes, with large superfluid gaps up to 100 meV and beyond. When the gaps exceed the subband spacing, there is significant mixing of the subbands, a rounding of the shape resonances, and a resulting reduction in the one-dimensional nature of the system.  
  Address  
  Corporate Author Thesis  
  Publisher Nature Publishing Group Place of Publication London Editor  
  Language Wos (up) 000374654500002 Publication Date 2016-04-25  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2045-2322 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 4.259 Times cited 7 Open Access  
  Notes ; M.Z. acknowledges support by the Flemish Science Foundation (FWO-Vl), the University Research Fund (BOF), and the European Science Foundation (POLATOM). A.P. and D.N. acknowledge support by the University of Camerino FAR project CESEMN. The authors thank the colleagues involved in the MultiSuper International Network (http://www.multisuper.org) for exchange of ideas and suggestions for this work. ; Approved Most recent IF: 4.259  
  Call Number UA @ lucian @ c:irua:133619 Serial 4201  
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Author Grunert, O.; Reheul, D.; Van Labeke, M.-C.; Perneel, M.; Hernandez-Sanabria, E.; Vlaeminck, S.E.; Boon, N. url  doi
openurl 
  Title Growing media constituents determine the microbial nitrogen conversions in organic growing media for horticulture Type A1 Journal article
  Year 2016 Publication Microbial Biotechnology Abbreviated Journal  
  Volume 9 Issue 3 Pages 389-399  
  Keywords A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)  
  Abstract Vegetables and fruits are an important part of a healthy food diet, however, the eco-sustainability of the production of these can still be significantly improved. European farmers and consumers spend an estimated Euro15.5 billion per year on inorganic fertilizers and the production of N-fertilizers results in a high carbon footprint. We investigated if fertilizer type and medium constituents determine microbial nitrogen conversions in organic growing media and can be used as a next step towards a more sustainable horticulture. We demonstrated that growing media constituents showed differences in urea hydrolysis, ammonia and nitrite oxidation and in carbon dioxide respiration rate. Interestingly, mixing of the growing media constituents resulted in a stimulation of the function of the microorganisms. The use of organic fertilizer resulted in an increase in amoA gene copy number by factor 100 compared to inorganic fertilizers. Our results support our hypothesis that the activity of the functional microbial community with respect to nitrogen turnover in an organic growing medium can be improved by selecting and mixing the appropriate growing media components with each other. These findings contribute to the understanding of the functional microbial community in growing media and its potential role towards a more responsible horticulture.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos (up) 000374662600009 Publication Date 2016-03-23  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1751-7907 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:133617 Serial 8013  
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Author Van Aelst, J.; Philippaerts, A.; Bartholomeeusen, E.; Fayad, E.; Thibault-Starzyk, F.; Lu, J.; Schryvers, D.; Ooms, R.; Verboekend, D.; Jacobs, P.; Sels, B. url  doi
openurl 
  Title Towards biolubricant compatible vegetable oils by pore mouth hydrogenation with shape-selective Pt/ZSM-5 catalysts Type A1 Journal article
  Year 2016 Publication Catalysis science & technology Abbreviated Journal Catal Sci Technol  
  Volume 6 Issue 6 Pages 2820-2828  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract Pt/ZSM-5 catalysts with various crystal sizes were prepared via competitive ion-exchange, followed by a slow activation procedure. Even when using very large ZSM-5 crystals, highly dispersed Pt nano-clusters were contained within the zeolite crystal's voids, as ascertained by 2D pressure-jump IR spectroscopy of adsorbed CO and focussed ion-beam transmission electron microscopy. The shape-selective properties of the Pt/ZSM-5 catalysts were evaluated in the partial hydrogenation of soybean oil. Unique hydrogenation selectivities were observed, as the fatty acids located at the central position of the triacylglycerol (TAG) molecules were preferentially hydrogenated. The resulting oil has therefore high levels of intermediately melting TAGs, which are compatible with biolubricants due to their improved oxidative stability and still appropriate low-temperature fluidity. The TAG distribution in the partially hydrogenated soybean oil samples was independent from the zeolite crystal size, while the hydrogenation activity linearly increases with the crystal's external surface area. This trend was confirmed with a Pt loaded mesoporous ZSM-5 zeolite, obtained via a mild alkaline treatment. These observations imply and confirm a genuine pore mouth catalysis mechanism, in which only one fatty acid chain of the TAG is able to enter the micropores of ZSM-5, where the double bonds are hydrogenated by the crystal encapsulated Pt-clusters.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos (up) 000374790200031 Publication Date 2016-03-31  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2044-4753 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 5.773 Times cited 5 Open Access  
  Notes The research was funded through a PhD grant to J. V. A. of the Agency for Innovation by Science and Technology in Flanders (IWT). A. P. and D. V. acknowledge the F. W. O.-Vlaanderen (Research Foundation Flanders) for a post-doctoral fellowship. E. B. was kindly funded by an F. W. O.-Vlaanderen project. This work was performed in the framework of an Associated International Laboratory between FWO and CNRS. Approved Most recent IF: 5.773  
  Call Number EMAT @ emat @ c:irua:138981 Serial 4335  
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