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Author da Pieve, F.; Di Matteo, S.; Rangel, T.; Giantomassi, M.; Lamoen, D.; Rignanese, G.-M.; Gonze, X. url  doi
openurl 
  Title Origin of magnetism and quasiparticles properties in Cr-doped TiO2 Type A1 Journal article
  Year 2013 Publication Physical review letters Abbreviated Journal Phys Rev Lett  
  Volume 110 Issue 13 Pages 136402-136405  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract Combining the local spin density approximation (LSDA)+U and an analysis of superexchange interactions beyond density functional theory, we describe the magnetic ground state of Cr-doped TiO2, an intensively studied and debated dilute magnetic oxide. In parallel, we correct our LSDA+U (+ superexchange) ground state through GW corrections (GW@LSDA+U) that reproduce the position of the impurity states and the band gaps in satisfying agreement with experiments. Because of the different topological coordinations of Cr-Cr bonds in the ground states of rutile and anatase, superexchange interactions induce either ferromagnetic or antiferromagnetic couplings of Cr ions. In Cr-doped anatase, this interaction leads to a new mechanism which stabilizes a (nonrobust) ferromagnetic ground state, in keeping with experimental evidence, without the need to invoke F-center exchange. The interplay between structural defects and vacancies in contributing to the superexchange is also unveiled.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication New York, N.Y. Editor  
  Language Wos (up) 000316683500014 Publication Date 2013-03-25  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0031-9007;1079-7114; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 8.462 Times cited 15 Open Access  
  Notes Goa; Iwt Approved Most recent IF: 8.462; 2013 IF: 7.728  
  Call Number UA @ lucian @ c:irua:107281 Serial 2524  
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Author Yusupov, M.; Bogaerts, A.; Huygh, S.; Snoeckx, R.; van Duin, A.C.T.; Neyts, E.C. pdf  doi
openurl 
  Title Plasma-induced destruction of bacterial cell wall components : a reactive molecular dynamics simulation Type A1 Journal article
  Year 2013 Publication The journal of physical chemistry: C : nanomaterials and interfaces Abbreviated Journal J Phys Chem C  
  Volume 117 Issue 11 Pages 5993-5998  
  Keywords A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract Nonthermal atmospheric pressure plasmas are gaining increasing attention for biomedical applications. However, very little fundamental information on the interaction mechanisms between the plasma species and biological cells is currently available. We investigate the interaction of important plasma species, such as OH, H2O2, O, O3, as well as O2 and H2O, with bacterial peptidoglycan by means of reactive molecular dynamics simulations, aiming for a better understanding of plasma disinfection. Our results show that OH, O, O3, and H2O2 can break structurally important bonds of peptidoglycan (i.e., CO, CN, or CC bonds), which consequently leads to the destruction of the bacterial cell wall. The mechanisms behind these breakups are, however, dependent on the impinging plasma species, and this also determines the effectiveness of the cell wall destruction.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Washington, D.C. Editor  
  Language Wos (up) 000316773000056 Publication Date 2013-02-23  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1932-7447;1932-7455; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 4.536 Times cited 59 Open Access  
  Notes Approved Most recent IF: 4.536; 2013 IF: 4.835  
  Call Number UA @ lucian @ c:irua:107154 Serial 2636  
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Author Singh, S.K.; Srinivasan, S.G.; Neek-Amal, M.; Costamagna, S.; van Duin, A.C.T.; Peeters, F.M. url  doi
openurl 
  Title Thermal properties of fluorinated graphene Type A1 Journal article
  Year 2013 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 87 Issue 10 Pages 104114-104116  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Large-scale atomistic simulations using the reactive force field approach are implemented to investigate the thermomechanical properties of fluorinated graphene (FG). A set of parameters for the reactive force field potential optimized to reproduce key quantum mechanical properties of relevant carbon-fluorine cluster systems are presented. Molecular dynamics simulations are used to investigate the thermal rippling behavior of FG and its mechanical properties and compare them with graphene, graphane and a sheet of boron nitride. The mean square value of the height fluctuations < h(2)> and the height-height correlation function H(q) for different system sizes and temperatures show that FG is an unrippled system in contrast to the thermal rippling behavior of graphene. The effective Young's modulus of a flake of fluorinated graphene is obtained to be 273 N/m and 250 N/m for a flake of FG under uniaxial strain along armchair and zigzag directions, respectively. DOI: 10.1103/PhysRevB.87.104114  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos (up) 000316933500002 Publication Date 2013-03-29  
  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 80 Open Access  
  Notes ; M.N.-A. is supported by the EU-Marie Curie IIF postdoc Fellowship/299855. This work is supported by the ESF-Eurographene project CONGRAN, the Flemish Science Foundation (FWO-Vl), and the Methusalem Foundation of the Flemish Government. S. G. S. and A.C.T.vD. acknowledge support by the Air Force Office of Scientific Research (AFOSR) under Grant No. FA9550-10-1-0563. ; Approved Most recent IF: 3.836; 2013 IF: 3.664  
  Call Number UA @ lucian @ c:irua:108495 Serial 3629  
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Author Trofimova, E.Y.; Kurdyukov, D.A.; Yakovlev, S.A.; Kirilenko, D.A.; Kukushkina, Y.A.; Nashchekin, A.V.; Sitnikova, A.A.; Yagovkina, M.A.; Golubev, V.G. pdf  doi
openurl 
  Title Monodisperse spherical mesoporous silica particles : fast synthesis procedure and fabrication of photonic-crystal films Type A1 Journal article
  Year 2013 Publication Nanotechnology Abbreviated Journal Nanotechnology  
  Volume 24 Issue 15 Pages 155601-155611  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract A procedure for the synthesis of monodisperse spherical mesoporous silica particles (MSMSPs) via the controlled coagulation of silica/surfactant clusters into spherical aggregates with mean diameters of 250-1500 nm has been developed. The synthesis is fast (taking less than 1 h) because identical clusters are simultaneously formed in the reaction mixture. The results of microscopic, x-ray diffraction, adsorption and optical measurements allowed us to conclude that the clusters are similar to 15 nm in size and have hexagonally packed cylindrical pore channels. The channel diameters in MSMSPs obtained with cethyltrimethylammonium bromide and decyltrimethylammonium bromide as structure-directing agents were 3.1 +/- 0.15 and 2.3 +/- 0.12 nm, respectively. The specific surface area and the pore volume of MSMSP were, depending on synthesis conditions, 480-1095 m(2) g(-1) and 0.50-0.65 cm(3) g(-1). The MSMSP were used to grow opal-like photonic-crystal films possessing a hierarchical macro-mesoporous structure, with pores within and between the particles. A selective filling of mesopore channels with glycerol, based on the difference between the capillary pressures in macro- and mesopores, was demonstrated. It is shown that this approach makes it possible to control the photonic bandgap position in mesoporous opal films by varying the degree of mesopore filling with glycerol. Online supplementary data available from stacks.iop.org/Nano/24/155601/mmedia  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Bristol Editor  
  Language Wos (up) 000316988700009 Publication Date 2013-03-22  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0957-4484;1361-6528; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.44 Times cited 49 Open Access  
  Notes Approved Most recent IF: 3.44; 2013 IF: 3.672  
  Call Number UA @ lucian @ c:irua:108462 Serial 2191  
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Author Berdonosov, P.S.; Akselrud, L.; Prots, Y.; Abakumov, A.M.; Smet, P.F.; Poelman, D.; Van Tendeloo, G.; Dolgikh, V.A. doi  openurl
  Title Cs7Nd11(SeO3)12Cl16 : first noncentrosymmetric structure among alkaline-metal lanthanide selenite halides Type A1 Journal article
  Year 2013 Publication Inorganic chemistry Abbreviated Journal Inorg Chem  
  Volume 52 Issue 7 Pages 3611-3619  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract Cs7Nd11(SeO3)(12)Cl-16, the complex selenite chloride of cesium and neodymium, was synthesized in the NdOCl-SeO2-CsCl system. The compound has been characterized using single-crystal X-ray diffraction, electron diffraction, transmission electron microscopy, luminescence spectroscopy, and second-harmonic-generation techniques. Cs7Nd11(SeO3)(12)Cl-16 crystallizes in an orthorhombic unit cell with a = 15.911(1) angstrom, b = 15.951(1) angstrom, and c = 25.860(1) angstrom and a noncentrosymmetric space group Pna2(1) (No. 33). The crystal structure of Cs7Nd11(SeO3)(12)Cl-16 can be represented as a stacking of Cs7Nd11(SeO3)(12) lamellas and CsCl-like layers. Because of the layered nature of the Cs7Nd11(SeO3)(12)Cl-16 structure, it features numerous planar defects originating from occasionally missing the CsCl-like layer and violating the perfect stacking of the Cs7Nd11(SeO3)(12)Cl-16 lamellas. Cs7Nd11(SeO3)(12)Cl-16 represents the first example of a noncentrosymmetric structure among alkaline-metal lanthanide selenite halides. Cs7Nd11(SeO3)(12)Cl-16 demonstrates luminescence emission in the near-IR region with reduced efficiency due to a high concentration of Nd3+ ions causing nonradiative cross-relaxation.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Easton, Pa Editor  
  Language Wos (up) 000317094300022 Publication Date 2013-03-11  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0020-1669;1520-510X; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 4.857 Times cited 10 Open Access  
  Notes Approved Most recent IF: 4.857; 2013 IF: 4.794  
  Call Number UA @ lucian @ c:irua:108482 Serial 3524  
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Author Sahin, H.; Tongay, S.; Horzum, S.; Fan, W.; Zhou, J.; Li, J.; Wu, J.; Peeters, F.M. url  doi
openurl 
  Title Anomalous Raman spectra and thickness-dependent electronic properties of WSe2 Type A1 Journal article
  Year 2013 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 87 Issue 16 Pages 165409-6  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Typical Raman spectra of transition-metal dichalcogenides (TMDs) display two prominent peaks, E-2g and A(1g), that are well separated from each other. We find that these modes are degenerate in bulk WSe2 yielding one single Raman peak in contrast to other TMDs. As the dimensionality is lowered, the observed peak splits in two. In contrast, our ab initio calculations predict that the degeneracy is retained even for WSe2 monolayers. Interestingly, for minuscule biaxial strain, the degeneracy is preserved, but once the crystal symmetry is broken by a small uniaxial strain, the degeneracy is lifted. Our calculated phonon dispersion for uniaxially strained WSe2 shows a good match to the measured Raman spectrum, which suggests that uniaxial strain exists in WSe2 flakes, possibly induced during the sample preparation and/or as a result of the interaction between WSe2 and the substrate. Furthermore, we find that WSe2 undergoes an indirect-to-direct band-gap transition from bulk to monolayers, which is ubiquitous for semiconducting TMDs. These results not only allow us to understand the vibrational and electronic properties of WSe2, but also point to effects of the interaction between the monolayer TMDs and the substrate on the vibrational and electronic properties. DOI: 10.1103/PhysRevB.87.165409  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos (up) 000317195400007 Publication Date 2013-04-05  
  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 365 Open Access  
  Notes ; This work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem programme of the Flemish government. Computational resources were partially provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure). H. S. is supported by the FWO Pegasus Marie Curie Long Fellowship program. ; Approved Most recent IF: 3.836; 2013 IF: 3.664  
  Call Number UA @ lucian @ c:irua:108471 Serial 134  
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Author Muñoz, W.A.; Covaci, L.; Peeters, F.M. url  doi
openurl 
  Title Tight-binding description of intrinsic superconducting correlations in multilayer graphene Type A1 Journal article
  Year 2013 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 87 Issue 13 Pages 134509-7  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Using highly efficient GPU-based simulations of the tight-binding Bogoliubov-de Gennes equations we solve self-consistently for the pair correlation in rhombohedral (ABC) and Bernal (ABA) multilayer graphene by considering a finite intrinsic s-wave pairing potential. We find that the two different stacking configurations have opposite bulk/surface behavior for the order parameter. Surface superconductivity is robust for ABC stacked multilayer graphene even at very low pairing potentials for which the bulk order parameter vanishes, in agreement with a recent analytical approach. In contrast, for Bernal stacked multilayer graphene, we find that the order parameter is always suppressed at the surface and that there exists a critical value for the pairing potential below which no superconducting order is achieved. We considered different doping scenarios and find that homogeneous doping strongly suppresses surface superconductivity while nonhomogeneous field-induced doping has a much weaker effect on the superconducting order parameter. For multilayer structures with hybrid stacking (ABC and ABA) we find that when the thickness of each region is small (few layers), high-temperature surface superconductivity survives throughout the bulk due to the proximity effect between ABC/ABA interfaces where the order parameter is enhanced. DOI: 10.1103/PhysRevB.87.134509  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos (up) 000317390000006 Publication Date 2013-04-11  
  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 37 Open Access  
  Notes ; This work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem funding of the Flemish Government. ; Approved Most recent IF: 3.836; 2013 IF: 3.664  
  Call Number UA @ lucian @ c:irua:108469 Serial 3660  
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Author Singh, S.K.; Neek-Amal, M.; Peeters, F.M. url  doi
openurl 
  Title Melting of graphene clusters Type A1 Journal article
  Year 2013 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 87 Issue 13 Pages 134103-134109  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Density-functional tight-binding and classical molecular dynamics simulations are used to investigate the structural deformations and melting of planar carbon nanoclusters C-N with N = 2-55. The minimum-energy configurations for different clusters are used as starting configurations for the study of the temperature effects on the bond breaking and rotation in carbon lines (N < 6), carbon rings (5 < N < 19), and graphene nanoflakes. The larger the rings (graphene nanoflakes) the higher the transition temperature (melting point) with ring-to-line (perfect-to-defective) transition structures. The melting point was obtained by using the bond energy, the Lindemann criteria, and the specific heat. We found that hydrogen-passivated graphene nanoflakes (CNHM) have a larger melting temperature with a much smaller dependence on size. The edges in the graphene nanoflakes exhibit several different metastable configurations (isomers) during heating before melting occurs. DOI: 10.1103/PhysRevB.87.134103  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos (up) 000317390700001 Publication Date 2013-04-11  
  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 28 Open Access  
  Notes ; This work was supported by the EU-Marie Curie IIF Postdoctoral Fellowship No. 299855 (for M.N.-A.), the ESF-EuroGRAPHENE Project CONGRAN, the Flemish Science Foundation (FWO-Vl), and the Methusalem Foundation of the Flemish Government. ; Approved Most recent IF: 3.836; 2013 IF: 3.664  
  Call Number UA @ lucian @ c:irua:108467 Serial 1987  
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Author Hellar-Kihampa, H.; De Wael, K.; Lugwisha, E.; Govindan, M.; Covaci, A.; Van Grieken, R. pdf  doi
openurl 
  Title Spatial monitoring of organohalogen compounds in surface water and sediments of a rural-urban river basin in Tanzania Type A1 Journal article
  Year 2013 Publication The science of the total environment Abbreviated Journal Sci Total Environ  
  Volume 447 Issue Pages 186-197  
  Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Toxicological Centre  
  Abstract The presence of persistent organic pollutants in Tanzanian environment is not well monitored despite the existing pollution potential from a number of sources. In this study, we investigated for the first time, the concentration profiles of different organohalogen compounds such as organochlorine pesticide residues (OCPs), polychlorinated biphenyls (PCBs) and polybrominated diphenyl ethers (PBDEs) in environmental samples (water and sediments) from the Pangani river basin (PRB). The PRB is one of the largest drainage basins in Tanzania, with its watershed exposed to multiple input sources of trace organic contaminants. Surface water and sediments were sampled from 12 representative stations of diverse characteristics and land-use practices, in three distinct seasons, and extracted by liquidliquid and Soxhlet extraction methods, respectively. Water samples were analyzed by GC-ECD for OCPs only, while sediment samples were analyzed for OCPs, PCBs and PBDEs by GC/MS. Seven compounds, dominated by HCH isomers (5104460 pg/L) and DDT analogs (1601460 pg/L),were detected in the water samples. These concentrations are far below the WHO guidelines for drinking water quality. A total of 42 compounds (8 OCPs, 28 PCB congeners and 6 PBDE congeners) were detected in the sediment samples. Their respective total concentration ranges were 24510,230; 35711,000 and 382175 pg/g dry weight. The spatial distribution patterns and Hierarchical Cluster Analysis reflected the impact of historical agricultural usage in sugarcane plantations (OCPs), and urbanization (PCBs and PBDEs). Risk assessment using sediment quality guidelines indicated no ecotoxicological risks. The results we have found provide preliminary data on levels of the organic contaminants in Pangani river basin as a new insight on the environmental quality of the area.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos (up) 000317538100022 Publication Date 2013-02-05  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0048-9697 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 4.9 Times cited 42 Open Access  
  Notes ; This research project was funded by the International Foundation for Science (IFS, Project Number W/4945-1). The authors wish to acknowledge the contribution of the Pangani Basin Water Office (PBWO) in Moshi, Tanzania; especially Ms. Arafa Maggidi in provision of valuable information and assistance with the sampling campaigns, and Salim Lyimo in mapping of the study area. The contributions of Mr. Peter Machibya of the Department of Geology, University of Dar es Salaam, Tanzania in sediment characterization; and Mr. Emmanuel Gwae, of the Government Chemists Laboratory Agency (GCLA) Dar es Salaam, Tanzania, for instrumental analysis of the water samples, are highly appreciated. Harieth Hellar-Kihampa acknowledges financial support from the Belgian Technical Agency (BTC). Govindan Malarvannan and Adrian Covaci acknowledge financial support from the University of Antwerp. ; Approved Most recent IF: 4.9; 2013 IF: 3.163  
  Call Number UA @ admin @ c:irua:105260 Serial 5836  
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Author Verheyen, E.; Jo, C.; Kurttepeli, M.; Vanbutsele, G.; Gobechiya, E.; Korányi, T.I.; Bals, S.; Van Tendeloo, G.; Ryoo, R.; Kirschhock, C.E.A.; Martens, J.A.; pdf  doi
openurl 
  Title Molecular shape-selectivity of MFI zeolite nanosheets in n-decane isomerization and hydrocracking Type A1 Journal article
  Year 2013 Publication Journal of catalysis Abbreviated Journal J Catal  
  Volume 300 Issue Pages 70-80  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract MFI zeolite nanosheets with thickness of 2 and 8 nm were synthesized, transformed into bifunctional catalysts by loading with platinum and tested in n-decane isomerization and hydrocracking. Detailed analysis of skeletal isomers and hydrocracked products revealed that the MFI nanosheets display transition-state shape-selectivity similar to bulk MFI zeolite crystals. The suppressed formation of bulky skeletal isomers and C5 cracking products are observed both in the nanosheets and the bulk crystals grown in three dimensions. This is typical for restricted transition-state shape-selectivity, characteristic for the MFI type pores. It is a first clear example of transition-state shape-selectivity inside a zeolitic nanosheet. Owing to the short diffusion path across the sheets, expression of diffusion-based discrimination of reaction products in the MFI nanosheets was limited. The 2-methylnonane formation among monobranched C10 isomers and 2,7-dimethyloctane among dibranched C10 isomers, which in MFI zeolite are favored by product diffusion, was much less favored on the nanosheets compared to the reference bulk ZSM-5 material.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication San Diego, Calif. Editor  
  Language Wos (up) 000317558000009 Publication Date 2013-02-07  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0021-9517; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 6.844 Times cited 121 Open Access  
  Notes Methusalem; IAP; Countatoms Approved Most recent IF: 6.844; 2013 IF: 6.073  
  Call Number UA @ lucian @ c:irua:106186 Serial 2181  
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Author Orlova, N.V.; Shanenko, A.A.; Milošević, M.V.; Peeters, F.M.; Vagov, A.V.; Axt, V.M. url  doi
openurl 
  Title Ginzburg-Landau theory for multiband superconductors : microscopic derivation Type A1 Journal article
  Year 2013 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 87 Issue 13 Pages 134510-134518  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract A procedure to derive the Ginzburg-Landau (GL) theory from the multiband BCS Hamiltonian is developed in a general case with an arbitrary number of bands and arbitrary interaction matrix. It combines the standard Gor'kov truncation and a subsequent reconstruction in order to match accuracies of the obtained terms. This reconstruction recovers the phenomenological GL theory as obtained from the Landau model of phase transitions but offers explicit microscopic expressions for the relevant parameters. Detailed calculations are presented for a three-band system treated as a prototype multiband superconductor. It is demonstrated that the symmetry in the coupling matrix may lead to the chiral ground state with the phase frustration, typical for systems with broken time-reversal symmetry. DOI: 10.1103/PhysRevB.87.134510  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos (up) 000317586700002 Publication Date 2013-04-16  
  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 57 Open Access  
  Notes ; This work was supported by the “Odysseus” Program of the Flemish Government and the Flemish Science Foundation (FWO-Vl). A.A.S. acknowledges useful discussions with D. Neilson. ; Approved Most recent IF: 3.836; 2013 IF: 3.664  
  Call Number UA @ lucian @ c:irua:108464 Serial 1344  
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Author Alfeld, M.; Pedroso, J.V.; van Hommes, M.E.; van der Snickt, G.; Tauber, G.; Blaas, J.; Haschke, M.; Erler, K.; Dik, J.; Janssens, K. pdf  doi
openurl 
  Title A mobile instrument for in situ scanning macro-XRF investigation of historical paintings Type A1 Journal article
  Year 2013 Publication Journal of analytical atomic spectrometry Abbreviated Journal J Anal Atom Spectrom  
  Volume 28 Issue 5 Pages 760-767  
  Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)  
  Abstract Scanning macro-X-ray fluorescence analysis (MA-XRF) is rapidly being established as a technique for the investigation of historical paintings. The elemental distribution images acquired by this method allow for the visualization of hidden paint layers and thus provide insight into the artist's creative process and the painting's conservation history. Due to the lack of a dedicated, commercially available instrument the application of the technique was limited to a few groups that constructed their own instruments. We present the first commercially available XRF scanner for paintings, consisting of an X-ray tube mounted with a Silicon-Drift (SD) detector on a motorized stage to be moved in front of a painting. The scanner is capable of imaging the distribution of the main constituents of surface and sub-surface paint layers in an area of 80 by 60 square centimeters with dwell times below 10 ms and a lateral resolution below 100 mu m. The scanner features for a broad range of elements between Ti (Z = 22) and Mo (Z = 42) a count rate of more than 1000 counts per second (cps)?mass percent and detection limits of 100 ppm for measurements of 1 s duration. Next to a presentation of spectrometric figures of merit, the value of the technique is illustrated through a case study of a painting by Rembrandt's student Govert Flinck (1615-1660).  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos (up) 000317674200019 Publication Date 2013-03-22  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0267-9477 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.379 Times cited 106 Open Access  
  Notes ; This research was supported by the Interuniversity Attraction Poles Programme – Belgian Science Policy (IUAP VI/16). The text also presents the results of GOA “XANES meets ELNES” (Research Fund University of Antwerp, Belgium) and from FWO (Brussels, Belgium) projects no. G.0704.08 and G.01769.09. M. Alfeld receives a Ph. D. fellowship of the Research Foundation-Flanders (FWO). We thank J. Langerock for allowing us to examine the portable altar triptych shown in Fig. 5. ; Approved Most recent IF: 3.379; 2013 IF: 3.396  
  Call Number UA @ admin @ c:irua:108517 Serial 5453  
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Author Barba-Ortega, J.; Sardella, E.; Aguiar, J.A.; Peeters, F.M. pdf  doi
openurl 
  Title Non-conventional vortex configurations in a mesoscopic flat disk Type A1 Journal article
  Year 2013 Publication Physica: C : superconductivity Abbreviated Journal Physica C  
  Volume 487 Issue Pages 47-55  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract The influence of superficial defects on the vortex configurations of a thin superconducting disk is investigated within the time dependent Ginzburg-Landau formalism. The free energy, magnetization, vorticity, and the Cooper pair density are calculated for both metastable and stable vortex configurations and different number of defects on its surface in the presence of an external magnetic field applied perpendicular to the disk area. We show that the competition between the confinement geometry and the geometric position of the defects leads to non-conventional vortex configurations which are not compatible with the symmetry of the sample geometry. Crown Copyright (C) 2013 Published by Elsevier B.V. All rights reserved.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Amsterdam Editor  
  Language Wos (up) 000317743300009 Publication Date 2013-02-27  
  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 17 Open Access  
  Notes ; This work was partially supported by the Brazilian agencies CNPq, CAPES, FACEPE (APQ 0589-105/08), FAPESP, CNPq-FWO bilateral project, and Colombian Agencies Colciencias and DIB. ; Approved Most recent IF: 1.404; 2013 IF: 1.110  
  Call Number UA @ lucian @ c:irua:108486 Serial 2344  
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Author Zhukova, A.A.; Rumyantseva, M.N.; Zaytsev, V.B.; Zaytseva, A.V.; Abakumov, A.M.; Gaskov, A.M. doi  openurl
  Title Pd nanoparticles on SnO2(Sb) whiskers : aggregation and reactivity in CO detection Type A1 Journal article
  Year 2013 Publication Journal of alloys and compounds Abbreviated Journal J Alloy Compd  
  Volume 565 Issue Pages 6-10  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract Single crystal antimony-doped SnO2 whiskers have been synthesized by in situ doping process in horizontal flow reactor. The produced whiskers were modified with 0.1, 0.2, 0.5, 1 or 2 wt.% Pd. The processes of Pd particles growth and aggregation are described on the base of AFM and STEM data. Depending on the content of introduced Pd precursor, the various mechanisms (Volmer-Weber or Stranski-Krastanov) of Pd nanoparticles growth realize. The dependence of sensor signal to CO on Pd concentration has non-monotonous character determined by the size of Pd nanoparticles and their aggregation degree. The best sensor signal toward CO was observed for whiskers decorated with 0.1 wt.% Pd. This concentration corresponds to the presence of individual 3-5 nm Pd nanoparticles on the surface of the whiskers. (C) 2013 Elsevier B.V. All rights reserved.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Amsterdam Editor  
  Language Wos (up) 000317815300002 Publication Date 2013-03-13  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0925-8388; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.133 Times cited Open Access  
  Notes Approved Most recent IF: 3.133; 2013 IF: 2.726  
  Call Number UA @ lucian @ c:irua:108424 Serial 2566  
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Author Borgatti, F.; Park, C.; Herpers, A.; Offi, F.; Egoavil, R.; Yamashita, Y.; Yang, A.; Kobata, M.; Kobayashi, K.; Verbeeck, J.; Panaccione, G.; Dittmann, R.; pdf  doi
openurl 
  Title Chemical insight into electroforming of resistive switching manganite heterostructures Type A1 Journal article
  Year 2013 Publication Nanoscale Abbreviated Journal Nanoscale  
  Volume 5 Issue 9 Pages 3954-3960  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract We have investigated the role of the electroforming process in the establishment of resistive switching behaviour for Pt/Ti/Pr0.5Ca0.5MnO3/SrRuO3 layered heterostructures (Pt/Ti/PCMO/SRO) acting as non-volatile Resistance Random Access Memories (RRAMs). Electron spectroscopy measurements demonstrate that the higher resistance state resulting from electroforming of as-prepared devices is strictly correlated with the oxidation of the top electrode Ti layer through field-induced electromigration of oxygen ions. Conversely, PCMO exhibits oxygen depletion and downward change of the chemical potential for both resistive states. Impedance spectroscopy analysis, supported by the detailed knowledge of these effects, provides an accurate model description of the device resistive behaviour. The main contributions to the change of resistance from the as-prepared (low resistance) to the electroformed (high resistance) states are respectively due to reduced PCMO at the boundary with the Ti electrode and to the formation of an anisotropic np junction between the Ti and the PCMO layers.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Cambridge Editor  
  Language Wos (up) 000317859400051 Publication Date 2013-03-05  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2040-3364;2040-3372; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 7.367 Times cited 40 Open Access  
  Notes Vortex; Countatoms ECASJO_; Approved Most recent IF: 7.367; 2013 IF: 6.739  
  Call Number UA @ lucian @ c:irua:108710UA @ admin @ c:irua:108710 Serial 348  
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Author Rossell, M.D.; Abakumov, A.M.; Ramasse, Q.M.; Erni, R. doi  openurl
  Title Direct evidence of stacking disorder in the mixed ionic-electronic conductor Sr4Fe6O12+\delta Type A1 Journal article
  Year 2013 Publication ACS nano Abbreviated Journal Acs Nano  
  Volume 7 Issue 4 Pages 3078-3085  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract Determining the structure-to-property relationship of materials becomes particularly challenging when the material under investigation is dominated by defects and structural disorder. Knowledge on the exact atomic arrangement at the defective structure is required to understand its influence on the functional properties. However, standard diffraction techniques deliver structural information that is averaged over many unit cells. In particular, information about defects and order-disorder phenomena is contained in the coherent diffuse scattering intensity which often is difficult to uniquely interpret. Thus, the examination of the local disorder in materials requires a direct method to study their structure on the atomic level with chemical sensitivity. Using aberration-corrected scanning transmission electron microscopy in combination with atomic-resolution electron energy-loss spectroscopy, we show that the controversial structural arrangement of the Fe2O2+delta layers in the mixed ionic-electronic conducting Sr4Fe6O12+delta perovskite can be unambiguously resolved. Our results provide direct experimental evidence for the presence of a nanomixture of “ordered” and “disordered” domains in an epitaxial Sr4Fe6O12+delta thin film. The most favorable arrangement is the disordered structure and is interpreted as a randomly occurring but well-defined local shift of the Fe-O chains in the Fe2O2+delta layers. By analyzing the electron energy-loss near-edge structure of the different building blocks in the Sr4Fe6O12+delta unit cell we find that the mobile holes in this mixed ionic-electronic conducting oxide are highly localized in the Fe2O2+delta layers, which are responsible for the oxide-ion conductivity. A possible link between disorder and oxygen-ion transport along the Fe2O2+delta layers is proposed by arguing that the disorder can effectively break the oxygen diffusion pathways.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos (up) 000318143300021 Publication Date 2013-03-04  
  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 4 Open Access  
  Notes Approved Most recent IF: 13.942; 2013 IF: 12.033  
  Call Number UA @ lucian @ c:irua:108476 Serial 713  
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Author Goux, L.; Fantini, A.; Govoreanu, B.; Kar, G.; Clima, S.; Chen, Y.-Y.; Degraeve, R.; Wouters, D.J.; Pourtois, G.; Jurczak, M. doi  openurl
  Title Asymmetry and switching phenomenology in TiN\ (Al2O3) \ HfO2 \ Hf systems Type A1 Journal article
  Year 2012 Publication ECS solid state letters Abbreviated Journal Ecs Solid State Lett  
  Volume 1 Issue 4 Pages 63-65  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract In this letter, we address the bipolar resistive switching phenomenology in scaled TiN\HfO2\Hf cells. By means of stack engineering using a thin Al2O3 layer inserted either at the TiN\HfO2 or at the Hf\HfO2 interface, we demonstrate that the reset operation takes place close to the TiNanode. Due to the increase of the oxygen-vacancy profile from the TiN to the Hf interface, the filament-confining and wide band-gap Al2O3 layer should indeed be engineered at the interface with the TiN electrode in order to further improve the switching control and to allow reaching larger state resistances. (C) 2012 The Electrochemical Society. [DOI: 10.1149/2.003204ssl] All rights reserved.  
  Address  
  Corporate Author Thesis  
  Publisher Electrochemical society Place of Publication Pennington (N.J.) Editor  
  Language Wos (up) 000318340300005 Publication Date 2012-08-23  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2162-8742;2162-8750; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.184 Times cited 11 Open Access  
  Notes Approved Most recent IF: 1.184; 2012 IF: NA  
  Call Number UA @ lucian @ c:irua:108530 Serial 160  
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Author Godoi, R.H.M.; Carneiro, B.H.B.; Paralovo, S.L.; Campos, V.P.; Tavares, T.M.; Evangelista, H.; Van Grieken, R.; Godoi, A.F.L. pdf  doi
openurl 
  Title Indoor air quality of a museum in a subtropical climate : the Oscar Niemeyer museum in Curitiba, Brazil Type A1 Journal article
  Year 2013 Publication The science of the total environment Abbreviated Journal  
  Volume 452 Issue Pages 314-320  
  Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)  
  Abstract The assessment of damage to indoor cultural heritage, in particular by pollutants, is nowadays a major and growing concern for curators and conservators. Nevertheless, although many museums have been widely investigated in Europe, the effects of particulate matter and gaseous pollutants in museums under tropical and subtropical climates and with different economic realities are still unclear. An important portion of the world's cultural heritage is currently in tropical countries where both human and financial resources for preserving museum collections are limited. Hence, our aim is to assess the damage that can be caused to the artwork by pollution in hot and humid environments, where air quality and microclimatic condition differences can cause deterioration. As a case study, particulate matter as well as gases were collected at the Oscar Niemeyer Museum (MON) in Curitiba, Brazil, where large modern and contemporary works of art are displayed. NO2, SO2, O3, Acetic Acid, Formic Acids and BTEX, in the ambient air, were sampled by means of passive diffusive sampling and their concentrations were determined by IC or GCMS. The particulate matter was collected in bulk form and analyzed with the use of energy dispersive X-ray fluorescence and aethalometer. The chemical compositions of individual particles were quantitatively elucidated, including low-Z components like C, N and O, as well as higher-Z elements, using automated electron probe microanalysis. The gaseous and particulate matter levels were then compared with the concentrations obtained for the same pollutants in other museums, located in places with different climates, and with some reference values provided by international cultural heritage conservation centers. Results are interpreted separately and as a whole with the specific aim of identifying compounds that could contribute to the chemical reactions taking place on the surfaces of artifacts and which could potentially cause irreversible damage to the artworks.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos (up) 000318530600034 Publication Date 2013-03-23  
  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:106766 Serial 8083  
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Author Singh, S.K.; Neek-Amal, M.; Costamagna, S.; Peeters, F.M. url  doi
openurl 
  Title Thermomechanical properties of a single hexagonal boron nitride sheet Type A1 Journal article
  Year 2013 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 87 Issue 18 Pages 184106-184107  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Using atomistic simulations we investigate the thermodynamical properties of a single atomic layer of hexagonal boron nitride (h-BN). The thermal induced ripples, heat capacity, and thermal lattice expansion of large scale h-BN sheets are determined and compared to those found for graphene (GE) for temperatures up to 1000 K. By analyzing the mean-square height fluctuations < h(2)> and the height-height correlation function H(q) we found that the h-BN sheet is a less stiff material as compared to graphene. The bending rigidity of h-BN (i) is about 16% smaller than the one of GE at room temperature (300 K), and (ii) increases with temperature as in GE. The difference in stiffness between h-BN and GE results in unequal responses to external uniaxial and shear stress and different buckling transitions. In contrast to a GE sheet, the buckling transition of a h-BN sheet depends strongly on the direction of the applied compression. The molar heat capacity, thermal-expansion coefficient, and Gruneisen parameter are estimated to be 25.2 J mol(-1) K-1, 7.2 x 10(-6) K-1, and 0.89, respectively.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos (up) 000318653800001 Publication Date 2013-05-08  
  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 80 Open Access  
  Notes ; We thank K. H. Michel and D. A. Kirilenko for their useful comments on the manuscript. M. N.-A. was supported by EU-Marie Curie IIF Postdoctorate Fellowship No. 299855. S. Costamagna was supported by the Belgian Science Foundation (BELSPO). This work was supported by the ESF-EuroGRAPHENE project CONGRAN, the Flemish Science Foundation (FWO-Vl), and the Methusalem program of the Flemish Government. ; Approved Most recent IF: 3.836; 2013 IF: 3.664  
  Call Number UA @ lucian @ c:irua:109010 Serial 3638  
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Author Mourdikoudis, S.; Chirea, M.; Altantzis, T.; Pastoriza-Santos, I.; Perez-Juste, J.; Silva, F.; Bals, S.; Liz-Marzan, L.M. pdf  url
doi  openurl
  Title Dimethylformamide-mediated synthesis of water-soluble platinum nanodendrites for ethanol oxidation electrocatalysis Type A1 Journal article
  Year 2013 Publication Nanoscale Abbreviated Journal Nanoscale  
  Volume 5 Issue 11 Pages 4776-4784  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract Herein we describe the synthesis of water-soluble platinum nanodendrites in dimethylformamide (DMF), in the presence of polyethyleneimine (PEI) as a stabilizing agent. The average size of the dendrites is in the range of 20-25 nm while their porosity can be tuned by modifying the concentration of the metal precursor. Electron tomography revealed different crystalline orientations of nanocrystallites in the nanodendrites and allowed a better understanding of their peculiar branching and porosity. The high surface area of the dendrites (up to 22 m(2) g(-1)) was confirmed by BET measurements, while X-ray diffraction confirmed the abundance of high-index facets in the face-centered-cubic crystal structure of Pt. The prepared nanodendrites exhibit excellent performance in the electrocatalytic oxidation of ethanol in alkaline solution. Sensing, selectivity, cycleability and great tolerance toward poisoning were demonstrated by cyclic voltammetry measurements.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Cambridge Editor  
  Language Wos (up) 000319008700028 Publication Date 2013-04-03  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2040-3364;2040-3372; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 7.367 Times cited 50 Open Access  
  Notes Esf; 262348 Esmi Approved Most recent IF: 7.367; 2013 IF: 6.739  
  Call Number UA @ lucian @ c:irua:109060 Serial 705  
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Author Sree, S.P.; Dendooven, J.; Masschaele, K.; Hamed, H.M.; Deng, S.; Bals, S.; Detavernier, C.; Martens, J.A. pdf  doi
openurl 
  Title Synthesis of uniformly dispersed anatase nanoparticles inside mesoporous silica thin films via controlled breakup and crystallization of amorphous TiO2 deposited using atomic layer deposition Type A1 Journal article
  Year 2013 Publication Nanoscale Abbreviated Journal Nanoscale  
  Volume 5 Issue 11 Pages 5001-5008  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract Amorphous titanium dioxide was introduced into the pores of mesoporous silica thin films with 75% porosity and 12 nm average pore diameter via Atomic Layer Deposition (ALD) using alternating pulses of tetrakis(dimethylamino)titanium and water. Calcination provoked fragmentation of the deposited amorphous TiO2 phase and its crystallization into anatase nanoparticles inside the nanoporous film. The narrow particle size distribution of 4 ± 2 nm and the uniform dispersion of the particles over the mesoporous silica support were uniquely revealed using electron tomography. These anatase nanoparticle bearing films showed photocatalytic activity in methylene blue degradation. This new synthesis procedure of the anatase nanophase in mesoporous silica films using ALD is a convenient fabrication method of photocatalytic coatings amenable to application on very small as well as very large surfaces  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Cambridge Editor  
  Language Wos (up) 000319008700056 Publication Date 2013-04-09  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2040-3364;2040-3372; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 7.367 Times cited 22 Open Access  
  Notes Fwo; Iap-Pai; Erc Approved Most recent IF: 7.367; 2013 IF: 6.739  
  Call Number UA @ lucian @ c:irua:108774 Serial 3460  
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Author Lizin, S.; Leroy, J.; Delvenne, C.; Dijk, M.; De Schepper, E.; Van Passel, S. doi  openurl
  Title A patent landscape analysis for organic photovoltaic solar cells : identifying the technology's development phase Type A1 Journal article
  Year 2013 Publication Renewable Energy Abbreviated Journal Renew Energ  
  Volume 57 Issue Pages 5-11  
  Keywords A1 Journal article; Engineering sciences. Technology; Engineering Management (ENM)  
  Abstract Organic photovoltaics (OPV) have developed into a vast research area. Progress in various directions has made it difficult to monitor the technology's precise development state. We offer a patent landscape analysis over all OPV devices, their substrates and encapsulation materials to provide an overview of patenting activity from a historical, organizational, geographical and technological point of view. Such an exercise is instrumental for private companies and research institutes aiming at both internal or external technology creation. We discuss our findings in the context of the Industrial Life Cycle model and find OPV still residing in the fluid technology development phase. Technology development is still following an exponential growth path, with the majority of patents coming from the Asian continent and in general private companies. For devices, the main technological focus can be traced back to the “H01L-031” international patent classification (IPC) main group. For the queried substrates, the most attention has gone to glass, but paper and textile have drawn significant interest too. Finally, encapsulation is found to be a less mature research field given the smaller number of patent families. The latter shows that the technology has not matured to the level where processing is carried out on a commercial scale. (C) 2013 Elsevier Ltd. All rights reserved.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos (up) 000319025000002 Publication Date 2013-02-13  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0960-1481 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 4.357 Times cited 18 Open Access  
  Notes ; The authors are much obliged to INTERREG for their financial support of the ORGANEXT project (www.organext.org), without which it would have been impossible to conduct this research. ; Approved Most recent IF: 4.357; 2013 IF: 3.361  
  Call Number UA @ admin @ c:irua:127551 Serial 6143  
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Author Filippousi, M.; Papadimitriou, S.A.; Bikiaris, D.N.; Pavlidou, E.; Angelakeris, M.; Zamboulis, D.; Tian, H.; Van Tendeloo, G. pdf  doi
openurl 
  Title Novel coreshell magnetic nanoparticles for Taxol encapsulation in biodegradable and biocompatible block copolymers : preparation, characterization and release properties Type A1 Journal article
  Year 2013 Publication International journal of pharmaceutics Abbreviated Journal Int J Pharmaceut  
  Volume 448 Issue 1 Pages 221-230  
  Keywords A1 Journal article; Pharmacology. Therapy; Electron microscopy for materials research (EMAT)  
  Abstract Theranostic polymeric nanocarriers loaded with anticancer drug Taxol and superparamagnetic iron oxide nanocrystals have been developed for possible magnetic resonance imaging (MRI) use and cancer therapy. Multifunctional nanocarriers with a coreshell structure have been prepared by coating superparamagnetic Fe3O4 nanoparticles with block copolymer of poly(ethylene glycol)-b-poly(propylene succinate) with variable molecular weights of the hydrophobic block poly(prolylene succinate). The multifunctional polymer nano-vehicles were prepared using a nanoprecipitation method. Scanning transmission electron microscopy revealed the encapsulation of magnetic nanoparticles inside the polymeric matrix. Energy dispersive X-ray spectroscopy and electron energy loss spectroscopy mapping allowed us to determine the presence of the different material ingredients in a quantitative way. The diameter of the nanoparticles is below 250 nm yielding satisfactory encapsulation efficiency. The nanoparticles exhibit a biphasic drug release pattern in vitro over 15 days depending on the molecular weight of the hydrophobic part of the polymer matrix. These new systems where anti-cancer therapeutics like Taxol and iron oxide nanoparticles (IOs) are co-encapsulated into new facile polymeric nanoparticles, could be addressed as potential multifunctional vehicles for simultaneous drug delivery and targeting imaging as well as real time monitoring of therapeutic effects.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Amsterdam Editor  
  Language Wos (up) 000319052000026 Publication Date 2013-03-21  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0378-5173; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.649 Times cited 29 Open Access  
  Notes Countatoms Approved Most recent IF: 3.649; 2013 IF: 3.785  
  Call Number UA @ lucian @ c:irua:107348 Serial 2374  
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Author Berdiyorov, G.R.; Doria, M.M.; de Romaguera, A.R.C.; Milošević, M.V.; Brandt, E.H.; Peeters, F.M. url  doi
openurl 
  Title Current-induced cutting and recombination of magnetic superconducting vortex loops in mesoscopic superconductor-ferromagnet heterostructures Type A1 Journal article
  Year 2013 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 87 Issue 18 Pages 184508-5  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Vortex loops are generated by the inhomogeneous stray field of a magnetic dipole on top of a current-carrying mesoscopic superconductor. Cutting and recombination processes unfold under the applied drive, resulting in periodic voltage oscillations across the sample. We show that a direct and detectable consequence of the cutting and recombination of these vortex loops in the present setup is the onset of vortices at surfaces where they were absent prior to the application of the external current. The nonlinear dynamics of vortex loops is studied within the time-dependent Ginzburg-Landau theory to describe the profound three-dimensional features of their time evolution.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos (up) 000319252000008 Publication Date 2013-05-21  
  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 13 Open Access  
  Notes ; This work was supported by the Flemish Science Foundation (FWO-VI) and the bilateral programme between Flanders and Brazil. G.R.B. acknowledges support from FWO-VI. A.R. de C.R. acknowledges CNPq for financial support. ; Approved Most recent IF: 3.836; 2013 IF: 3.664  
  Call Number UA @ lucian @ c:irua:109648 Serial 593  
Permanent link to this record
 

 
Author Van Duppen, B.; Sena, S.H.R.; Peeters, F.M. pdf  doi
openurl 
  Title Multiband tunneling in trilayer graphene Type A1 Journal article
  Year 2013 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 87 Issue 19 Pages 195439-10  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract The electronic tunneling properties of the two stable forms of trilayer graphene (TLG), rhombohedral ABC and Bernal ABA, are examined for p-n and p-n-p junctions as realized by using a single gate (SG) or a double gate (DG). For the rhombohedral form, due to the chirality of the electrons, the Klein paradox is found at normal incidence for SG devices, while at high-energy interband scattering between additional propagation modes can occur. The electrons in Bernal ABA TLG can have a monolayer- or bilayer-like character when incident on a SG device. Using a DG, however, both propagation modes will couple by breaking the mirror symmetry of the system, which induces intermode scattering and resonances that depend on the width of the DG p-n-p junction. For ABC TLG the DG opens up a band gap which suppresses Klein tunneling. The DG induces also an unexpected asymmetry in the tunneling angle for single-valley electrons.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos (up) 000319281700004 Publication Date 2013-05-23  
  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 13 Open Access  
  Notes ; This work was supported by the European Science Foundation (ESF) under the EUROCORES Program EuroGRAPHENE within the project CONGRAN, the Flemish Science Foundation (FWO-VI) by an aspirant research grant to B. Van Duppen and the Methusalem Programme of the Flemish Government. ; Approved Most recent IF: 3.836; 2013 IF: 3.664  
  Call Number UA @ lucian @ c:irua:108998 Serial 2216  
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Author Van Duppen, B.; Peeters, F.M. url  doi
openurl 
  Title Four-band tunneling in bilayer graphene Type A1 Journal article
  Year 2013 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 87 Issue 20 Pages 205427-10  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract The conductance, the transmission, and the reflection probabilities through rectangular potential barriers and p-n junctions are obtained for bilayer graphene taking into account the four bands of the energy spectrum. We have evaluated the importance of the skew hopping parameters gamma(3) and gamma(4) to these properties and show that for energies E > gamma(1)/100 their effect is negligible. For high energies two modes of propagation exist and we investigate scattering between these modes. For perpendicular incidence both propagation modes are decoupled, and scattering between them is forbidden. This extends the concept of pseudospin as defined within the two-band approximation to a four-band model and corresponds to the (anti) symmetry of the wave functions under in-plane mirroring. New transmission resonances are found that appear as sharp peaks in the conductance which are absent in the two-band approximation. The application of an interlayer bias to the system (1) breaks the pseudospin structure, (2) opens a band gap that results in a distinct feature of suppressed transmission in the conductance, and (3) breaks the angular symmetry with respect to normal incidence in the transmission and reflection.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos (up) 000319282000002 Publication Date 2013-05-21  
  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 37 Open Access  
  Notes ; This work was supported by the European Science Foundation (ESF) under the EUROCORES Program Euro-GRAPHENE within the project CONGRAN, the Flemish Science Foundation (FWO-Vl) by an aspirant research grant to B. Van Duppen and the Methusalem Programme of the Flemish Government. ; Approved Most recent IF: 3.836; 2013 IF: 3.664  
  Call Number UA @ lucian @ c:irua:109001 Serial 1269  
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Author Shapoval, O.; Huehn, S.; Verbeeck, J.; Jungbauer, M.; Belenchuk, A.; Moshnyaga, V. pdf  doi
openurl 
  Title Interface-controlled magnetism and transport of ultrathin manganite films Type A1 Journal article
  Year 2013 Publication Journal of applied physics Abbreviated Journal J Appl Phys  
  Volume 113 Issue 17 Pages 17c711-3  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract We report ferromagnetic, T-C = 240 K, and metallic, T-MI = 250 K, behaviors of a three unit cell thick interface engineered lanthanum manganite film, grown by metalorganic aerosol deposition technique on SrTiO3(100) substrates. Atomically resolved electron microscopy and chemical analysis show that ultrathin manganite films start to grow with La-O layer on a strongly Mn/Ti-intermixed interface, engineered by an additional deposition of 2 u.c. of Sr-Mn-O. Such interface engineering results in a hole-doped manganite layer and stabilizes ferromagnetism and metallic conductivity down to the thickness of d = 3 u.c. The films with d = 8 u.c. demonstrate a bulk-like transport behavior with T-MI similar to T-C = 310 – 330 K. (C) 2013 American Institute of Physics.  
  Address  
  Corporate Author Thesis  
  Publisher American Institute of Physics Place of Publication New York, N.Y. Editor  
  Language Wos (up) 000319292800195 Publication Date 2013-03-19  
  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 7 Open Access  
  Notes Ifox; Countatoms; Vortex; Esteem2; esteem2jra3 ECASJO; Approved Most recent IF: 2.068; 2013 IF: 2.185  
  Call Number UA @ lucian @ c:irua:109009UA @ admin @ c:irua:109009 Serial 1692  
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Author Carrillo-Nuñez, H.; Magnus, W.; Vandenberghe, W.G.; Sorée, B.; Peeters, F.M. doi  openurl
  Title Phonon-assisted Zener tunneling in a cylindrical nanowire transistor Type A1 Journal article
  Year 2013 Publication Journal of applied physics Abbreviated Journal J Appl Phys  
  Volume 113 Issue 18 Pages 184507-184508  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract The tunneling current has been computed for a cylindrical nanowire tunneling field-effect transistor (TFET) with an all-round gate that covers the source region. Being the underlying mechanism, band-to-band tunneling, mediated by electron-phonon interaction, is pronouncedly affected by carrier confinement in the radial direction and, therefore, involves the self-consistent solution of the Schrodinger and Poisson equations. The latter has been accomplished by exploiting a non-linear variational principle within the framework of the modified local density approximation taking into account the nonparabolicity of both the valence band and conduction band in relatively thick wires. Moreover, while the effective-mass approximation might still provide a reasonable description of the conduction band in relatively thick wires, we have found that the nonparabolicity of the valence band needs to be included. As a major conclusion, it is observed that confinement effects in nanowire tunneling field-effect transistors have a stronger impact on the onset voltage of the tunneling current in comparison with planar TFETs. On the other hand, the value of the onset voltage is found to be overestimated when the valence band nonparabolicity is ignored. (C) 2013 AIP Publishing LLC.  
  Address  
  Corporate Author Thesis  
  Publisher American Institute of Physics Place of Publication New York, N.Y. Editor  
  Language Wos (up) 000319294100093 Publication Date 2013-05-10  
  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 4 Open Access  
  Notes ; This work was supported by the Flemish Science Foundation (FWO-VI), and the Interuniversity Attraction Poles, Belgium State, Belgium Science Policy, and IMEC. ; Approved Most recent IF: 2.068; 2013 IF: 2.185  
  Call Number UA @ lucian @ c:irua:109651 Serial 2599  
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Author Milovanovic, S.P.; Masir, M.R.; Peeters, F.M. pdf  doi
openurl 
  Title Graphene hall bar with an asymmetric pn-junction Type A1 Journal article
  Year 2013 Publication Journal of applied physics Abbreviated Journal J Appl Phys  
  Volume 113 Issue 19 Pages 193701-193708  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract We investigated the magnetic field dependence of the Hall and the bend resistances in the ballistic regime for a single layer graphene Hall bar structure containing a pn-junction. When both regions are n-type the Hall resistance dominates and Hall type of plateaus are formed. These plateaus occur as a consequence of the restriction on the angle imposed by Snell's law allowing only electrons with a certain initial angles to transmit though the potential step. The size of the plateau and its position is determined by the position of the potential interface as well as the value of the applied potential. When the second region is p-type, the bend resistance dominates, which is asymmetric in field due to the presence of snake states. Changing the position of the pn-interface in the Hall bar strongly affects these states and therefore the bend resistance is also changed. Changing the applied potential, we observe that the bend resistance exhibits a peak around the charge-neutrality point (CNP), which is independent of the position of the pn-interface, while the Hall resistance shows a sign reversal when the CNP is crossed, which is in very good agreement with a recent experiment [J. R. Williams and C. M. Marcus, Phys. Rev. Lett. 107, 046602 (2011)].  
  Address  
  Corporate Author Thesis  
  Publisher American Institute of Physics Place of Publication New York, N.Y. Editor  
  Language Wos (up) 000319295200022 Publication Date 2013-05-16  
  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 7 Open Access  
  Notes This work was supported by the Flemish Science Foundation (FWO-Vl), the European Science Foundation (ESF) under the EUROCORES Program EuroGRAPHENE within the project CONGRAN, and the Methusalem Foundation of the Flemish government. We acknowledge fruitful discussions with M. Barbier. Approved Most recent IF: 2.068; 2013 IF: 2.185  
  Call Number UA @ lucian @ c:irua:108999 Serial 1371  
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Author Vorobyeva, N.; Rumyantseva, M.; Filatova, D.; Konstantinova, E.; Grishina, D.; Abakumov, A.; Turner, S.; Gaskov, A. pdf  doi
openurl 
  Title Nanocrystalline ZnO(Ga) : paramagnetic centers, surface acidity and gas sensor properties Type A1 Journal article
  Year 2013 Publication Sensors and actuators : B : chemical Abbreviated Journal Sensor Actuat B-Chem  
  Volume 182 Issue Pages 555-564  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract Nanocrystalline ZnO and ZnO(Ga) samples with different gallium content were prepared by wet-chemical method. Introduction of gallium leads to the increase of amount of weak acid sites such as surface hydroxyl groups. Gas sensing properties toward 0.22 ppm H2S and NO2 were studied at 100450 °C by DC conductance measurements. The optimal temperature for gas sensing experiments was determined. Sensor signal toward H2S decreases with increase of Ga concentration. The dependence of ZnO(Ga) sensor signal to NO2 on the gallium content has non-monotonous character, which correlates with the change of conductivity of the samples in air and concentration of paramagnetic donor states.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Lausanne Editor  
  Language Wos (up) 000319488800075 Publication Date 2013-03-27  
  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 42 Open Access  
  Notes Hercules; FWO Approved Most recent IF: 5.401; 2013 IF: 3.840  
  Call Number UA @ lucian @ c:irua:107346 Serial 2250  
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