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Author Mikhailova, D.; Reichel, P.; Tsirlin, A.A.; Abakumov, A.M.; Senyshyn, A.; Mogare, K.M.; Schmidt, M.; Kuo, C.Y.; Pao, C.W.; Pi, T.W.; Lee, J.F.; Hu, Z.; Tjeng, L.H.;
  Title Oxygen-driven competition between low-dimensional structures of Sr3CoMO6 and Sr3CoMO7-\delta with M = Ru,Ir Type A1 Journal article
  Year 2014 Publication Journal of the Chemical Society : Dalton transactions Abbreviated Journal Dalton T
  Volume 43 Issue 37 Pages 13883-13891
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract We have realized a reversible structure transformation of one-dimensional 1D K4CdCl6-type Sr3CoMO6 with the Co2+/M4+ cation ordering into the two-dimensional 2D double layered Ruddlesden-Popper structure Sr3CoMO7-delta with a random distribution of Co and M (with M = Ru, Ir) upon increasing the partial oxygen pressure. The combined soft and hard X-ray absorption spectroscopy studies show that under transformation, Co and M cations were oxidized to Co3+ and M5+. During oxidation, high-spin Co2+ in Sr3CoMO6 first transforms into high-spin Co3+ in oxygen-deficient Sr3CoMO7-delta, and then further transforms into low-spin Co3+ in fully oxidized Sr3CoMO7 upon further increasing the partial pressure of oxygen. The 1D Sr3CoMO6 compound is magnetically ordered at low temperatures with the magnetic moments lying along the c-axis. Their alignment is parallel for Sr3CoRuO6 and antiparallel for Sr3CoIrO6. The 2D compounds reveal a spin-glass-like behavior related to the random distribution of magnetic cations in the structure.
  Address
  Corporate Author Thesis
  Publisher Place of Publication London Editor
  Language Wos 000342074100009 Publication Date (down) 2014-07-28
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1477-9226;1477-9234; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 4.029 Times cited 7 Open Access
  Notes Approved Most recent IF: 4.029; 2014 IF: 4.197
  Call Number UA @ lucian @ c:irua:119960 Serial 2545
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Author van Winsen, F.; de Mey, Y.; Lauwers, L.; Van Passel, S.; Vancauteren, M.; Wauters, E.
  Title Determinants of risk behaviour : effects of perceived risks and risk attitude on farmer's adoption of risk management strategies Type A1 Journal article
  Year 2016 Publication Journal Of Risk Research Abbreviated Journal J Risk Res
  Volume 19 Issue 1 Pages 56-78
  Keywords A1 Journal article; Sociology; Engineering Management (ENM)
  Abstract The importance of risk perception and risk attitude for understanding individual's risk behaviour are independently well described in literature, but rarely combined in an integrated approach. In this study, we propose a model assuming the choice to implement certain risk management strategies to be directly driven by both perceptions of risks and risk attitude. Other determinants influence the intention to apply different risk strategies mainly indirectly, mediated by risk perception and risk attitude. This conceptual model is empirically tested, using structural equation modelling, for understanding the intention of farmers to implement different common risk management strategies at their farms. Data are gathered in a survey completed by 500 farmers from the Flanders region in Belgium, investigating attitudes towards farming, perceived past exposure to risk, socio-demographic characteristics, farm size, perceptions of the major sources of farm business risk, risk attitudes and the intention to apply common risk management strategies. Our major findings are: (i) perception of major farm business risks have no significant impact on the intention of applying any of the risk strategies under study, (ii) risk attitude does have a significant impact. Therefore, rather than objective risk faced and the subjective interpretation thereof, it is the general risk attitude that influence intended risk strategies to be implemented. A distinction can be made between farmers willing to take risk, who are more inclined to apply ex-ante risk management strategies and risk averse farmers who are less inclined to implement ex-ante risk management strategies but rather cope with the consequences and diminish their effects ex-post when risks have occurred.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000365523100004 Publication Date (down) 2014-07-24
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1366-9877 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 1.34 Times cited 25 Open Access
  Notes ; This work was supported by the agency for Innovation by Science and Technology [grant number 080508]. ; Approved Most recent IF: 1.34
  Call Number UA @ admin @ c:irua:130188 Serial 6177
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Author Grujić, M.M.; Tadić, M.Z.; Peeters, F.M.
  Title Spin-valley filtering in strained graphene structures with artificially induced carrier mass and spin-orbit coupling Type A1 Journal article
  Year 2014 Publication Physical review letters Abbreviated Journal Phys Rev Lett
  Volume 113 Issue 4 Pages 046601
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract The interplay of massive electrons with spin-orbit coupling in bulk graphene results in a spin-valley dependent gap. Thus, a barrier with such properties can act as a filter, transmitting only opposite spins from opposite valleys. In this Letter we show that a strain induced pseudomagnetic field in such a barrier will enforce opposite cyclotron trajectories for the filtered valleys, leading to their spatial separation. Since spin is coupled to the valley in the filtered states, this also leads to spin separation, demonstrating a spin-valley filtering effect. The filtering behavior is found to be controllable by electrical gating as well as by strain.
  Address
  Corporate Author Thesis
  Publisher Place of Publication New York, N.Y. Editor
  Language Wos 000339620300013 Publication Date (down) 2014-07-23
  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 90 Open Access
  Notes ; This work was supported by the Serbian Ministry of Education, Science, and Technological Development, the Flemish Science Foundation (FWO-V1), and the Methusalem program of the Flemish government. ; Approved Most recent IF: 8.462; 2014 IF: 7.512
  Call Number UA @ lucian @ c:irua:118731 Serial 3104
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Author Tytgat, T.; Hauchecorne, B.; Smits, M.; Verbruggen, S.; Lenaerts, S.
  Title Concept and validation of a fully automated photocatalytic test setup Type A1 Journal article
  Year 2012 Publication Journal of laboratory automation Abbreviated Journal Jala-J Lab Autom
  Volume 17 Issue 2 Pages 134-143
  Keywords A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
  Abstract Photocatalytic activity can be studied by several methods, each with its own strengths and weaknesses. To study photocatalytic activity in an easy, user-friendly, and realistic way, a completely new setup has been built. The setup is modularly constructed around Fourier transform infrared spectroscopy (FTIR) spectroscopy at the heart of it, resulting in great versatility. Complementary software has been written for automatic control of the setup and for processing the generated data. Two pollutants, oil and n-octane, are tested to validate the performance of the setup. These validation experiments confirm the usefulness and added value of the setup in general and of the FTIR detection methodology as well. It becomes clear that a system of online measurements with good repeatability, accuracy, and user-friendliness has been created.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000304775300006 Publication Date (down) 2014-07-23
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2211-0682 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 2.85 Times cited 15 Open Access
  Notes ; The authors disclosed receipt of the following financial support for the research and/or authorship of this article: This work was supported by a Ph.D. grant (T. Tytgat) funded by the Institute of Innovation by Science and Technology in Flanders (IWT) and by a Ph.D. grant (S. Verbruggen) from the Research Foundation of Flanders (FWO). Other funding was made possible by the University of Antwerp. ; Approved Most recent IF: 2.85; 2012 IF: 1.457
  Call Number UA @ admin @ c:irua:96649 Serial 5935
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Author Scuracchio, P.; Costamagna; Peeters, F.M.; Dobry, A.
  Title Role of atomic vacancies and boundary conditions on ballistic thermal transport in graphene nanoribbons Type A1 Journal article
  Year 2014 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
  Volume 90 Issue 3 Pages 035429
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract Quantum thermal transport in armchair and zigzag graphene nanoribbons is investigated in the presence of single atomic vacancies and subject to different boundary conditions. We start with a full comparison of the phonon polarizations and energy dispersions as given by a fifth-nearest-neighbor force-constant model (5NNFCM) and by elasticity theory of continuum membranes (ETCM). For free-edge ribbons, we discuss the behavior of an additional acoustic edge-localized flexural mode, known as fourth acoustic branch (4ZA), which has a small gap when it is obtained by the 5NNFCM. Then, we show that ribbons with supported edges have a sample-size dependent energy gap in the phonon spectrum which is particularly large for in-plane modes. Irrespective to the calculation method and the boundary condition, the dependence of the energy gap for the low-energy optical phonon modes against the ribbon width W is found to be proportional to 1/W for in-plane, and 1/W-2 for out-of-plane phonon modes. Using the 5NNFCM, the ballistic thermal conductance and its contributions from every single phonon mode are then obtained by the nonequilibrium Green's function technique. We found that, while edge and central localized single atomic vacancies do not affect the low-energy transmission function of in-plane phonon modes, they reduce considerably the contributions of the flexural modes. On the other hand, in-plane modes contributions are strongly dependent on the boundary conditions and at low temperatures can be highly reduced in supported-edge samples. These findings could open a route to engineer graphene based devices where it is possible to discriminate the relative contribution of polarized phonons and to tune the thermal transport on the nanoscale.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000339443800009 Publication Date (down) 2014-07-21
  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 20 Open Access
  Notes ; Discussions with S. D. Dalosto and K. H. Michel are gratefully acknowledged. This work was partially supported by PIP 11220090100392 of CONICET (Argentina) and the Flemish Science Foundation (FWO-VI). We acknowledge funding from the FWO (Belgium)-MINCyT (Argentina) collaborative research project. ; Approved Most recent IF: 3.836; 2014 IF: 3.736
  Call Number UA @ lucian @ c:irua:118698 Serial 2911
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Author Yan, Y.; Liao, Z.M.; Ke, X.; Van Tendeloo, G.; Wang, Q.; Sun, D.; Yao, W.; Zhou, S.; Zhang, L.; Wu, H.C.; Yu, D.P.;
  Title Topological surface state enhanced photothermoelectric effect in Bi2Se3 nanoribbons Type A1 Journal article
  Year 2014 Publication Nano letters Abbreviated Journal Nano Lett
  Volume 14 Issue 8 Pages 4389-4394
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
  Abstract The photothermoelectric effect in topological insulator Bi2Se3 nanoribbons is studied. The topological surface states are excited to be spin-polarized by circularly polarized light. Because the direction of the electron spin is locked to its momentum for the spin-helical surface states, the photothermoelectric effect is significantly enhanced as the oriented motions of the polarized spins are accelerated by the temperature gradient. The results are explained based on the microscopic mechanisms of a photon induced spin transition from the surface Dirac cone to the bulk conduction band. The as-reported enhanced photothermoelectric effect is expected to have potential applications in a spin-polarized power source.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Washington Editor
  Language Wos 000340446200028 Publication Date (down) 2014-07-21
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1530-6984;1530-6992; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 12.712 Times cited 51 Open Access
  Notes European Research Council under the Seventh Framework Program (FP7); ERC Advanced Grant No. 246791-COUNTATOMS. Approved Most recent IF: 12.712; 2014 IF: 13.592
  Call Number UA @ lucian @ c:irua:118128 Serial 3678
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Author Spyrou, K.; Potsi, G.; Diamanti, E.K.; Ke, X.; Serestatidou, E.; Verginadis, I.I.; Velalopoulou, A.P.; Evangelou, A.M.; Deligiannakis, Y.; Van Tendeloo, G.; Gournis, D.; Rudolf, P.;
  Title Towards Novel Multifunctional Pillared Nanostructures: Effective Intercalation of Adamantylamine in Graphene Oxide and Smectite Clays Type A1 Journal article
  Year 2014 Publication Advanced functional materials Abbreviated Journal Adv Funct Mater
  Volume 24 Issue 37 Pages 5841-5850
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
  Abstract Multifunctional pillared materials are synthesized by the intercalation of cage-shaped adamantylamine (ADMA) molecules into the interlayer space of graphite oxide (GO) and aluminosilicate clays. The physicochemical and structural properties of these hybrids, determined by X-ray diffraction (XRD), Fourier transform infrared (FTIR), Raman and X-ray photoemission (XPS) spectroscopies and transmission electron microscopy (TEM) show that they can serve as tunable hydrophobic/hydrophilic and stereospecific nanotemplates. Thus, in ADMA-pillared clay hybrids, the phyllomorphous clay provides a hydrophilic nanoenvironment where the local hydrophobicity is modulated by the presence of ADMA moieties. On the other hand, in the ADMA-GO hybrid, both the aromatic rings of GO sheets and the ADMA molecules define a hydrophobic nanoenvironment where sp(3)-oxo moieties (epoxy, hydroxyl and carboxyl groups), present on GO, modulate hydrophilicity. As test applications, these pillared nanostructures are capable of selective/stereospecific trapping of small chlorophenols or can act as cytotoxic agents.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Weinheim Editor
  Language Wos 000342794500008 Publication Date (down) 2014-07-19
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1616-301X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 12.124 Times cited 19 Open Access
  Notes Approved Most recent IF: 12.124; 2014 IF: 11.805
  Call Number UA @ lucian @ c:irua:121085 Serial 3686
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Author Kuppens, T.; Van Dael, M.; Vanreppelen, K.; Thewys, T.; Yperman, J.; Carleer, R.; Schreurs, S.; Van Passel, S.
  Title Techno-economic assessment of fast pyrolysis for the valorization of short rotation coppice cultivated for phytoextraction Type A1 Journal article
  Year 2015 Publication Journal Of Cleaner Production Abbreviated Journal J Clean Prod
  Volume 88 Issue Pages 336-344
  Keywords A1 Journal article; Engineering Management (ENM)
  Abstract The main barrier in the commercialization of phytoextraction as a sustainable alternative for remediating metal contaminated soils is its long time period, which can be countered by biomass valorization. From an environmental point of view, fast pyrolysis of the biomass is promising because its lower process temperature prevents metal volatilization. The remaining question is whether fast pyrolysis is also preferred from an economic point of view. Therefore, a techno-economic assessment of fast pyrolysis has been performed for a case study in the Campine region in Belgium. For this region, willow trees cultivated in short rotation have the right characteristics to serve as a phytoextracting crop. A techno-economic assessment requires by definition a multidisciplinary approach. The problem statement urges for a focus on the economic profitability from the viewpoint of an investor, including economic risk analysis. Fast pyrolysis seems more profitable than gasification. The profit is dependent on the scale of operation, the policy support (subsidies) and the oil yield. The economic risk can be reduced by increasing the scale of operation by means of complementing feedstocks, and by valorization of the char byproduct by subsequent processing to activated carbon. (C) 2014 Elsevier Ltd. All rights reserved.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000347771100036 Publication Date (down) 2014-07-19
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0959-6526 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 5.715 Times cited 36 Open Access
  Notes ; ; Approved Most recent IF: 5.715; 2015 IF: 3.844
  Call Number UA @ admin @ c:irua:127539 Serial 6264
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Author Zhou, C.; Ji, G.; Chen, Z.; Wang, M.; Addad, A.; Schryvers, D.; Wang, H.
  Title Fabrication, interface characterization and modeling of oriented graphite flakes/Si/Al composites for thermal management applications Type A1 Journal article
  Year 2014 Publication Materials and design Abbreviated Journal Mater Design
  Volume 63 Issue Pages 719-728
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract Highly thermally conductive graphite flakes (Gf)/Si/Al composites have been fabricated using Gf, Si powder and an AlSi7Mg0.3 alloy by an optimized pressure infiltration process for thermal management applications. In the composites, the layers of Gf were spaced apart by Si particles and oriented perpendicular to the pressing direction, which offered the opportunity to tailor the thermal conductivity (TC) and coefficient of thermal expansion (CTE) of the composites. Microstructural characterization revealed that the formation of a clean and tightly-adhered interface at the nanoscale between the side surface of the Gf and Al matrix, devoid of a detrimental Al4C3 phase and a reacted amorphous AlSiOC layer, contributed to excellent thermal performance along the alignment direction. With increasing volume fraction of Gf from 13.7 to 71.1 vol.%, the longitudinal (i.e. parallel to the graphite layers) TC of the composites increased from 179 to 526 W/m K, while the longitudinal CTE decreased from 12.1 to 7.3 ppm/K (matching the values of electronic components). Furthermore, the modified layers-in-parallel model better fitted the longitudinal TC data than the layers-in-parallel model and confirmed that the clean and tightly-adhered interface is favorable for the enhanced longitudinal TC.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Reigate Editor
  Language Wos 000340949300086 Publication Date (down) 2014-07-17
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0261-3069; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor Times cited 61 Open Access
  Notes Approved Most recent IF: NA
  Call Number UA @ lucian @ c:irua:118124 Serial 1166
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Author da Costa, D.R.; Zarenia, M.; Chaves, A.; Farias, G.A.; Peeters, F.M.
  Title Analytical study of the energy levels in bilayer graphene quantum dots Type A1 Journal article
  Year 2014 Publication Carbon Abbreviated Journal Carbon
  Volume 78 Issue Pages 392-400
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract Using the four-band continuum model we derive a general expression for the infinite-mass boundary condition in bilayer graphene. Applying this new boundary condition we analytically calculate the confined states and the corresponding wave functions in a bilayer graphene quantum dot in the absence and presence of a perpendicular magnetic field. Our results for the energy spectrum show an energy gap between the electron and hole states at small magnetic fields. Furthermore the electron (e) and hole (h) energy levels corresponding to the K and K' valleys exhibit the E-K(e(h)) (m) = E-K'(e(h)) (m) symmetry, where m is the angular momentum quantum number. (C) 2014 Elsevier Ltd. All rights reserved.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Oxford Editor
  Language Wos 000341463900042 Publication Date (down) 2014-07-16
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0008-6223; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 6.337 Times cited 35 Open Access
  Notes ; This work was financially supported by CNPq, under contract NanoBioEstruturas 555183/2005-0, PRONEX/FUNCAP, CAPES Foundation under the process number BEX 7178/13-1, the Flemish Science Foundation (FWO-Vl), the European Science Foundation (ESF) under the EUROCORES program Euro-GRAPHENE (project CONGRAN), the Bilateral programme between CNPq and FWO-Vl, and the Brazilian Program Science Without Borders (CsF). We thank M. Ramezani Masir and M. Grujic for helpful comments and discussions. ; Approved Most recent IF: 6.337; 2014 IF: 6.196
  Call Number UA @ lucian @ c:irua:119280 Serial 109
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Author Filippousi, M.; Angelakeris, M.; Katsikini, M.; Paloura, E.; Efthimiopoulos, I.; Wang, Y.; Zamboulis, D.; Van Tendeloo, G.
  Title Surfactant effects on the structural and magnetic properties of iron oxide nanoparticles Type A1 Journal article
  Year 2014 Publication The journal of physical chemistry: C : nanomaterials and interfaces Abbreviated Journal J Phys Chem C
  Volume 118 Issue 29 Pages 16209-16217
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
  Abstract Iron oxide nanoparticles were prepared using the simplest and most efficient chemical route, the coprecipitation, in the absence and the presence of three different and widely used surfactants. The purpose of this study is to investigate the possible influence of the different surfactants on the structure and therefore on the magnetic properties of the iron oxide nanoparticles. Thus, different techniques were employed in order to elucidate the composition and structure of the magnetic iron oxide nanoparticles. By combining transmission electron microscopy with X-ray powder diffraction and X-ray absorption fine structure measurements, we were able to determine and confirm the crystal structure of the constituent iron oxides. The magnetic properties were investigated by measuring the hysteresis loops where the surfactant influence on their collective magnetic behavior and subsequent AC magnetic hyperthermia response is apparent. The results indicate that the produced iron oxide nanoparticles may be considered as good candidates for biomedical applications in hyperthermia treatments because of their high heating capacity exhibited under an alternating magnetic field, which is sufficient to provoke damage to the cancer cells.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Washington, D.C. Editor
  Language Wos 000339540700073 Publication Date (down) 2014-07-04
  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 47 Open Access
  Notes European Research Council under the seventh Framework Program (FP7); ERC Grant No. 246791 – COUNTATOMS; IAP-AIP functional Supramolecular structure IUAP P7/05 Approved Most recent IF: 4.536; 2014 IF: 4.772
  Call Number UA @ lucian @ c:irua:118129 Serial 3398
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Author Shanenko, A.A.; Vagov, A.; Peeters, F.M.; Aguiar, J.A.
  Title Nanofilms as effectively multiband superconductors: Intraband-pairing approximation and Ginzburg-Landau theory Type A1 Journal article
  Year 2014 Publication Physica: B : condensed matter Abbreviated Journal Physica B
  Volume 455 Issue Pages 3-5
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract It is well-known that the Ginzburg-Landau (GL) theory is a reliable and powerful theoretical tool to investigate the magnetic response of a superconducting state. However, in its standard form, this approach is not applicable to atomically uniform nano-thin superconducting films which are effective multiband superconductors. Here we discuss a relevant generalization of the GL theory, focusing on the underlying intraband-pairing approximation. (C) 2014 Elsevier B.V. All rights reserved.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Amsterdam Editor
  Language Wos 000344239200002 Publication Date (down) 2014-07-03
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0921-4526; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 1.386 Times cited 1 Open Access
  Notes ; This work was supported by the “Odysseus” Program of the Flemish Government, the Flemish Science Foundation (FWO-VI), and the Methusalem program. A.A.S. acknowledges the support of the Brazilian agencies CNPq and FACEPE (APQ-0589-1.05/08). ; Approved Most recent IF: 1.386; 2014 IF: 1.319
  Call Number UA @ lucian @ c:irua:121192 Serial 2256
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Author Çakir, D.; Sahin, H.; Peeters, F.M.
  Title Doping of rhenium disulfide monolayers : a systematic first principles study Type A1 Journal article
  Year 2014 Publication Physical chemistry, chemical physics Abbreviated Journal Phys Chem Chem Phys
  Volume 16 Issue 31 Pages 16771-16779
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract The absence of a direct-to-indirect band gap transition in ReS2 when going from the monolayer to bulk makes it special among the other semiconducting transition metal dichalcogenides. The functionalization of this promising layered material emerges as a necessity for the next generation technological applications. Here, the structural, electronic, and magnetic properties of substitutionally doped ReS2 monolayers at either the S or Re site were systematically studied by using first principles density functional calculations. We found that substitutional doping of ReS2 depends sensitively on the growth conditions of ReS2. Among the large number of non-metallic atoms, namely H, B, C, Se, Te, F, Br, Cl, As, P. and N, we identified the most promising candidates for n-type and p-type doping of ReS2. While Cl is an ideal candidate for n-type doping, P appears to be the most promising candidate for p-type doping of the ReS2 monolayer. We also investigated the doping of ReS2 with metal atoms, namely Mo, W, Ti, V. Cr, Co, Fe, Mn, Ni, Cu, Nb, Zn, Ru, Os and Pt. Mo, Nb, Ti, and V atoms are found to be easily incorporated in a single layer of ReS2 as substitutional impurities at the Re site for all growth conditions considered in this work. Tuning chemical potentials of dopant atoms energetically makes it possible to dope ReS2 with Fe, Co, Cr, Mn, W, Ru, and Os at the Re site. We observe a robust trend for the magnetic moments when substituting a Re atom with metal atoms such that depending on the electronic configuration of dopant atoms, the net magnetic moment of the doped ReS2 becomes either 0 or 1 mu(B). Among the metallic dopants, Mo is the best candidate for p-type doping of ReS2 owing to its favorable energetics and promising electronic properties.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Cambridge Editor
  Language Wos 000340075700048 Publication Date (down) 2014-07-02
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1463-9076;1463-9084; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 4.123 Times cited 58 Open Access
  Notes ; This work was supported by the Flemish Science Foundation (FWO-VI) and the Methusalem foundation of the Flemish government. Computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure), and HPC infrastructure of the University of Antwerp (CalcUA) a division of the Flemish Supercomputer Center (VSC), which is funded by the Hercules foundation. H.S. is supported by a FWO Pegasus-long Marie Curie Fellowship. D.C. is supported by a FWO Pegasus-short Marie Curie Fellowship. ; Approved Most recent IF: 4.123; 2014 IF: 4.493
  Call Number UA @ lucian @ c:irua:118742 Serial 752
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Author Javon, E.; Lubk; Cours, R.; Reboh, S.; Cherkashin, N.; Houdellier, F.; Gatel, C.; Hytch, M.J.
  Title Dynamical effects in strain measurements by dark-field electron holography Type A1 Journal article
  Year 2014 Publication Ultramicroscopy Abbreviated Journal Ultramicroscopy
  Volume 147 Issue Pages 70-85
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract Here, we study the effect of dynamic scattering on the projected geometric phase and strain maps reconstructed using dark-field electron holography (DFEH) for non-uniformly strained crystals. The investigated structure consists of a {SiGe/Si} superlattice grown on a (001)-Si substrate. The three dimensional strain held within the thin TEM lamella is modelled by the finite element method. The observed projected strain is simulated in two ways by multiplying the strain at each depth in the crystal by a weighting function determined from a recently developed analytical two-beam dynamical theory, and by simply taking the average value. We demonstrate that the experimental results need to be understood in terms of the dynamical theory and good agreement is found between the experimental and simulated results. Discrepancies do remain for certain cases and are likely to be from an imprecision in the actual two-beam diffraction conditions, notably the deviation parameter, and points to limitations in the 2-beam approximation. Finally, a route towards a 3D reconstruction of strain fields is proposed. (C) 2014 Elsevier B.V. All rights reserved.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Amsterdam Editor
  Language Wos 000343157400009 Publication Date (down) 2014-07-02
  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 10 Open Access
  Notes Approved Most recent IF: 2.843; 2014 IF: 2.436
  Call Number UA @ lucian @ c:irua:121108 Serial 769
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Author Mai, H.H.; Kaydashev, V.E.; Tikhomirov, V.K.; Janssens, E.; Shestakov, M.V.; Meledina, M.; Turner, S.; Van Tendeloo, G.; Moshchalkov, V.V.; Lievens, P.
  Title Nonlinear optical properties of Ag nanoclusters and nanoparticles dispersed in a glass host Type A1 Journal article
  Year 2014 Publication The journal of physical chemistry: C : nanomaterials and interfaces Abbreviated Journal J Phys Chem C
  Volume 118 Issue 29 Pages 15995-16002
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
  Abstract The nonlinear absorption of Ag atomic clusters and nanoparticles dispersed in a transparent oxyfluoride glass host has been studied. The as-prepared glass, containing 0.15 atom % Ag, shows an absorption band in the UV/violet attributed to the presence of amorphous Ag atomic nanoclusters with an average size of 1.2 nm. Upon heat treatment the Ag nanoclusters coalesce into larger nanoparticles that show a surface plasmon absorption band in the visible. Open aperture z-scan experiments using 480 nm nanosecond laser pulses demonstrated nonsaturated and saturated nonlinear absorption with large nonlinear absorption indices for the Ag nanoclusters and nanoparticles, respectively. These properties are promising, e.g., for applications in optical limiting and objects contrast enhancement.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Washington, D.C. Editor
  Language Wos 000339540700049 Publication Date (down) 2014-07-01
  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 43 Open Access
  Notes FWO; Methusalem; funding from the European Research Council under the seventh Framework Program (FP7); ERC Grant 246791 COUNTATOMS and the EC project IFOX. Approved Most recent IF: 4.536; 2014 IF: 4.772
  Call Number UA @ lucian @ c:irua:118626 Serial 2353
Permanent link to this record
 

 
Author Goris, B.; Guzzinati, G.; Fernández-López, C.; Pérez-Juste, J.; Liz-Marzán, L.M.; Trügler, A.; Hohenester, U.; Verbeeck, J.; Bals, S.; Van Tendeloo, G.
  Title Plasmon mapping in Au@Ag nanocube assemblies Type A1 Journal article
  Year 2014 Publication The journal of physical chemistry: C : nanomaterials and interfaces Abbreviated Journal J Phys Chem C
  Volume 118 Issue 28 Pages 15356-15362
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
  Abstract Surface plasmon modes in metallic nanostructures largely determine their optoelectronic properties. Such plasmon modes can be manipulated by changing the morphology of the nanoparticles or by bringing plasmonic nanoparticle building blocks close to each other within organized assemblies. We report the EELS mapping of such plasmon modes in pure Ag nanocubes, Au@Ag coreshell nanocubes, and arrays of Au@Ag nanocubes. We show that these arrays enable the creation of interesting plasmonic structures starting from elementary building blocks. Special attention will be dedicated to the plasmon modes in a triangular array formed by three nanocubes. Because of hybridization, a combination of such nanotriangles is shown to provide an antenna effect, resulting in strong electrical field enhancement at the narrow gap between the nanotriangles.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Washington, D.C. Editor
  Language Wos 000339368700031 Publication Date (down) 2014-06-27
  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 41 Open Access OpenAccess
  Notes Fwo; 246791 Countatoms; 278510 Vortex; 335078 Colouratom; 262348 Esmi ECASJO;; ECASSara; (ROMEO:white; preprint:; postprint:restricted 12 months embargo; pdfversion:cannot); Approved Most recent IF: 4.536; 2014 IF: 4.772
  Call Number UA @ lucian @ c:irua:118099UA @ admin @ c:irua:118099 Serial 2644
Permanent link to this record
 

 
Author Neyts, E.C.; Yusupov, M.; Verlackt, C.C.; Bogaerts, A.
  Title Computer simulations of plasmabiomolecule and plasmatissue interactions for a better insight in plasma medicine Type A1 Journal article
  Year 2014 Publication Journal of physics: D: applied physics Abbreviated Journal J Phys D Appl Phys
  Volume 47 Issue 29 Pages 293001
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract Plasma medicine is a rapidly evolving multidisciplinary field at the intersection of chemistry, biochemistry, physics, biology, medicine and bioengineering. It holds great potential in medical, health care, dentistry, surgical, food treatment and other applications. This multidisciplinary nature and variety of possible applications come along with an inherent and intrinsic complexity. Advancing plasma medicine to the stage that it becomes an everyday tool in its respective fields requires a fundamental understanding of the basic processes, which is lacking so far. However, some major advances have already been made through detailed experiments over the last 15 years. Complementary, computer simulations may provide insight that is difficultif not impossibleto obtain through experiments. In this review, we aim to provide an overview of the various simulations that have been carried out in the context of plasma medicine so far, or that are relevant for plasma medicine. We focus our attention mostly on atomistic simulations dealing with plasmabiomolecule interactions. We also provide a perspective and tentative list of opportunities for future modelling studies that are likely to further advance the field.
  Address
  Corporate Author Thesis
  Publisher Place of Publication London Editor
  Language Wos 000338860300001 Publication Date (down) 2014-06-26
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0022-3727;1361-6463; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 2.588 Times cited 28 Open Access
  Notes Approved Most recent IF: 2.588; 2014 IF: 2.721
  Call Number UA @ lucian @ c:irua:117853 Serial 472
Permanent link to this record
 

 
Author Xie, L.; Brault, P.; Coutanceau, C.; Bauchire, J.-M.; Caillard, A.; Baranton, S.; Berndt, J.; Neyts, E.C.
  Title Efficient amorphous platinum catalyst cluster growth on porous carbon : a combined molecular dynamics and experimental study Type A1 Journal article
  Year 2015 Publication Applied catalysis : B : environmental Abbreviated Journal Appl Catal B-Environ
  Volume 162 Issue 162 Pages 21-26
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract Amorphous platinum clusters supported on porous carbon have been envisaged for high-performance fuel cell electrodes. For this application, it is crucial to control the morphology of the Pt layer and the Ptsubstrate interaction to maximize activity and stability. We thus investigate the morphology evolution during Pt cluster growth on a porous carbon substrate employing atomic scale molecular dynamics simulations. The simulations are based on the Pt-C interaction potential using parameters derived from density functional theory and are found to yield a Pt cluster morphology similar to that observed in low loaded fuel cell electrodes prepared by plasma sputtering. Moreover, the simulations show amorphous Pt cluster growth in agreement with X-ray diffraction and transmission electron microscopy experiments on high performance low Pt content (10 μgPt cm−2) loaded fuel cell electrodes and provide a fundamental insight in the cluster growth mechanism.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Amsterdam Editor
  Language Wos 000343686900003 Publication Date (down) 2014-06-26
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0926-3373; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 9.446 Times cited 20 Open Access
  Notes Approved Most recent IF: 9.446; 2015 IF: 7.435
  Call Number c:irua:117949 Serial 874
Permanent link to this record
 

 
Author Shenderova, O.; Vargas, A.; Turner, S.; Ivanov, D.M.; Ivanov, M.G.
  Title Nanodiamond-based nanolubricants : investigation of friction surfaces Type A1 Journal article
  Year 2014 Publication Tribology transactions Abbreviated Journal Tribol T
  Volume 57 Issue 6 Pages 1051-1057
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract Synergistic compositions of detonation nanodiamond (DND) particles with polytetrafluoroethylene and molybdenum dialkyldithiophosphate were used in ring-on-ring, four-ball, and block-on-ring tests as an additive to polyalphaolefins and engine oils. Modest to significant reductions in the friction coefficients, wear, or both were observed. In the wear scars produced in the block-on-ring tests, the friction surfaces were characterized by scanning electron microscopy (SEM), energy-dispersive X-ray spectroscopy (EDX), and profilometry. Significant polishing effects of the friction surfaces in lubricants containing DND were revealed in SEM observations and roughness measurements. The roughness of the scar surfaces produced in the presence of DND additives was about 35% lower than the roughness of the scars observed in pure oil experiments.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Park Ridge, Ill. Editor
  Language Wos 000345317900009 Publication Date (down) 2014-06-26
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1040-2004;1547-397X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 1.685 Times cited 23 Open Access
  Notes Approved Most recent IF: 1.685; 2014 IF: 1.349
  Call Number UA @ lucian @ c:irua:122161 Serial 2252
Permanent link to this record
 

 
Author Ying, J.; Yang, X.-Y.; Hu, Z.-Y.; Mu, S.-C.; Janiak, C.; Geng, W.; Pan, M.; Ke, X.; Van Tendeloo, G.; Su, B.-L.
  Title One particle@one cell : highly monodispersed PtPd bimetallic nanoparticles for enhanced oxygen reduction reaction Type A1 Journal article
  Year 2014 Publication Nano energy Abbreviated Journal Nano Energy
  Volume 8 Issue Pages 214-222
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
  Abstract Highly monodispersed platinum-based nanoalloys are the best-known catalysts for the oxygen reduction reaction. Although certainly promising, the durability and stability are among the main requirements for commercializing fuel cell electrocatalysts in practical applications. Herein, we synthesize highly stable, durable and catalytic active monodispersed PtPd nano-particles encapsulated in a unique one particle@one cell structure by adjusting the viscosity of solvents using mesocellular foam. PtPd nanoparticles in mesocellular carbon foam exhibit an excellent electrocatalytic activity (over 4 times mass and specific activities than the commercial Pt/C catalyst). Most importantly, this nanocatalyst shows no obvious change of structure and only a 29.5% loss in electrochemically active surface area after 5000 potential sweeps between 0.6 and 1.1 V versus reversible hydrogen electrode cycles. (C) 2014 Elsevier Ltd. All rights reserved.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000340981700026 Publication Date (down) 2014-06-23
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2211-2855; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 12.343 Times cited 40 Open Access
  Notes Approved Most recent IF: 12.343; 2014 IF: 10.325
  Call Number UA @ lucian @ c:irua:119255 Serial 2465
Permanent link to this record
 

 
Author Dirtu, A.C.; Buczyńska, A.J.; Godoi, A.F.L.; Favoreto, R.; Bencs, L.; Potgieter-Vermaak, S.S.; Godoi, R.H.M.; Van Grieken, R.; Van Vaeck, L.
  Title Methods, fluxes and sources of gas phase alkyl nitrates in the coastal air Type A1 Journal article
  Year 2014 Publication Environmental monitoring and assessment Abbreviated Journal
  Volume 186 Issue 10 Pages 6445-6457
  Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Toxicological Centre
  Abstract The daily and seasonal atmospheric concentrations, deposition fluxes and emission sources of a few C3C9 gaseous alkyl nitrates (ANs) at the Belgian coast (De Haan) on the Southern North Sea were determined. An adapted sampler design for low- and high-volume air-sampling, optimized sample extraction and clean-up, as well as identification and quantification of ANs in air samples by means of gas chromatography mass spectrometry, are reported. The total concentrations of ANs ranged from 0.03 to 85 pptv and consisted primarily of the nitro-butane and nitro-pentane isomers. Air mass backward trajectories were calculated by the Hybrid Single-Particle Lagrangian Integrated Trajectory (HYSPLIT) model to determine the influence of main air masses on AN levels in the air. The shorter chain ANs have been the most abundant in the Atlantic/Channel/UK air masses, while longer chain ANs prevailed in continental air. The overall mean N fluxes of the ANs were slightly higher for summer than those for winter-spring, although their contributions to the total nitrogen flux were low. High correlations between AN and HNO2 levels were observed during winter/spring. During summer, the shorter chain ANs correlated well with precipitation. Source apportionment by means of principal component analysis indicated that most of the gas phase ANs could be attributed to traffic/combustion, secondary photochemical formation and biomass burning, although marine sources may also have been present and a contributing factor.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000341497800035 Publication Date (down) 2014-06-21
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1420-2026; 1573-2967 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor Times cited Open Access
  Notes Approved no
  Call Number UA @ admin @ c:irua:118906 Serial 8224
Permanent link to this record
 

 
Author Leus, K.; Liu, Y.-Y.; Meledina, M.; Turner, S.; Van Tendeloo, G.; van der Voort, P.
  Title A MoVI grafted metal organic framework : synthesis, characterization and catalytic investigations Type A1 Journal article
  Year 2014 Publication Journal of catalysis Abbreviated Journal J Catal
  Volume 316 Issue Pages 201-209
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract We present the post-modification of a gallium based Metal Organic Framework, COMOC-4, with a Mo-complex. The resulting Mo@COMOC-4 was characterized by means of N2 sorption, XRPD, DRIFT, TGA, XRF, XPS and TEM analysis. The results demonstrate that even at high Mo-complex loadings on the framework, no aggregation or any Mo or Mo oxide species are formed. Moreover, the Mo@COMOC-4 was evaluated as a catalyst in the epoxidation of cyclohexene, cyclooctene and cyclododecene employing TBHP in decane as oxidant. The post-modified COMOC-4 exhibits a very high selectivity toward the epoxide (up to 100%). Regenerability and stability tests have been carried out demonstrating that the catalyst can be recycled without leaching of Mo or loss of crystallinity.
  Address
  Corporate Author Thesis
  Publisher Place of Publication San Diego, Calif. Editor
  Language Wos 000340853800020 Publication Date (down) 2014-06-19
  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 36 Open Access
  Notes European Research Council under the Seventh Framework Program (FP7); ; ERC Grant No. 246791 – COUNTATOMS; Hercules; FWO Approved Most recent IF: 6.844; 2014 IF: 6.921
  Call Number UA @ lucian @ c:irua:117416 Serial 3546
Permanent link to this record
 

 
Author Čukarić, N.A.; Tadić, M.Z.; Partoens, B.; Peeters, F.M.
  Title The interband optical absorption in silicon quantum wells : application of the 30-band k . p model Type A1 Journal article
  Year 2014 Publication Applied physics letters Abbreviated Journal Appl Phys Lett
  Volume 104 Issue 24 Pages 242103
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract The interband optical absorption in Si/SiO2 quantum wells is calculated as function of the well width (W) and the evolution from an indirect to a direct gap material as function of the well width is investigated. In order to compute the electron states in the conduction band, the 30-band k . p model is employed, whereas the 6-band Luttinger-Kohn model is used for the hole states. We found that the effective direct band gap in the quantum well agrees very well with the W-2 scaling result of the single-band model. The interband matrix elements for linear polarized light oscillate with the quantum well width, which agrees qualitatively with a single band calculation. Our theoretical results indicate that the absorption can be maximized by a proper choice of the well width. However, the obtained absorption coefficients are at least an order of magnitude smaller than for a typical direct semiconductor even for a well width of 2 nm. (C) 2014 AIP Publishing LLC.
  Address
  Corporate Author Thesis
  Publisher American Institute of Physics Place of Publication New York, N.Y. Editor
  Language Wos 000337915000033 Publication Date (down) 2014-06-18
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0003-6951;1077-3118; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 3.411 Times cited 1 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: 3.411; 2014 IF: 3.302
  Call Number UA @ lucian @ c:irua:118448 Serial 1689
Permanent link to this record
 

 
Author Ozaydin, H.D.; Sahin, H.; Senger, R.T.; Peeters, F.M.
  Title Formation and diffusion characteristics of Pt clusters on Graphene, 1H-MoS2 and 1T-TaS2 Type A1 Journal article
  Year 2014 Publication Annalen der Physik Abbreviated Journal Ann Phys-Berlin
  Volume 526 Issue 9-10 Pages 423-429
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract Many experiments have revealed that the surfaces of graphene and graphene-like structures can play an active role as a host surface for clusterization of transition metal atoms. Motivated by these observations, we investigate theoretically the adsorption, diffusion and magnetic properties of Pt clusters on three different two-dimensional atomic crystals using first principles density functional theory. We found that monolayers of graphene, molybdenum disulfide (1H-MoS2) and tantalum disulfide (1T-TaS2) provide different nucleation characteristics for Pt cluster formation. At low temperatures, while the bridge site is the most favorable site where the growth of a Pt cluster starts on graphene, top-Mo and top-Ta sites are preferred on 1H-MoS2 and 1T-TaS2, respectively. Ground state structures and magnetic properties of Pt-n clusters (n= 2,3,4) on three different monolayer crystal structures are obtained. We found that the formation of Pt-2 dimer and a triangle-shaped Pt-3 cluster perpendicular to the surface are favored over the three different surfaces. While bent rhombus shaped Pt-4 is formed on graphene, the formation of tetrahedral shaped clusters are more favorable on 1H-MoS2 and 1T-TaS2. Our study of the formation of Pt-n clusters on three different monolayers provides a gateway for further exploration of nanocluster formations on various surfaces.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Leipzig Editor
  Language Wos 000343873700015 Publication Date (down) 2014-06-16
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0003-3804; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 3.039 Times cited 10 Open Access
  Notes ; This work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem foundation of the Flemish government. Computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure). H.S. is supported by a FWO Pegasus Long Marie Curie Fellowship. ; Approved Most recent IF: 3.039; 2014 IF: 3.048
  Call Number UA @ lucian @ c:irua:121180 Serial 1247
Permanent link to this record
 

 
Author Croitoru, M.D.; Buzdin, A.I.
  Title Peculiarities of the orbital effect in the Fulde-Ferrell-Larkin-Ovchinnikov state in quasi-one-dimensional superconductors Type A1 Journal article
  Year 2014 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
  Volume 89 Issue 22 Pages 224506
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract Using the quasiclassical formalism, we determine the low-temperature phase diagram of a quasi-one-dimensional superconductor, taking into account the interchain Josephson coupling and the paramagnetic spin splitting. We show that the anisotropy of the onset of superconductivity changes in the FFLO state as compared with the conventional superconducting phase. It can result in anomalous peaks in the field-direction dependence of the upper critical field when the magnetic field length equals to the FFLO period. This regime is characterized by the lock-in effect of the FFLO modulation wave vector, which is governed by the magnetic length. Furthermore, in the FFLO phase, the anisotropy of the upper critical field is inverted at T-1(**) = 0.5T(c0), where the orbital anisotropy disappears. We suggest that an experimental study of the anisotropy of the upper critical field can provide very reach information about the parameters of the FFLO phase in quasi-1D samples.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000336975000005 Publication Date (down) 2014-06-09
  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 Open Access
  Notes Approved Most recent IF: 3.836; 2014 IF: 3.736
  Call Number UA @ lucian @ c:irua:117749 Serial 2569
Permanent link to this record
 

 
Author Arana, A.; Loureiro, A.L.; Barbosa, H.M.J.; Van Grieken, R.; Artaxo, P.
  Title Optimized energy dispersive X-ray fluorescence analysis of atmospheric aerosols collected at pristine and perturbed Amazon Basin sites Type A1 Journal article
  Year 2014 Publication X-ray spectrometry Abbreviated Journal
  Volume 43 Issue 4 Pages 228-237
  Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
  Abstract Elemental composition of aerosols is important to source apportionment studies and to understand atmospheric processes that influence aerosol composition. Energy dispersive X-ray fluorescence spectroscopy was applied for measuring the elemental composition of Amazonian atmospheric aerosols. The instrument used was a spectrometer Epsilon 5, PANalytical B. V., with tridimensional geometry that reduces the background signal with a polarized X-ray detection. The measurement conditions were optimized for low-Z elements, e. g. Mg, Al, Si, that are present at very low concentrations in the Amazon. From Na to K, our detection limits are about 50% to 75% lower than previously published results for similar instrument. Calibration was performed using Micromatter standards, except for P whose standard was produced by nebulization of an aqueous solution of KH2PO4 at our laboratory. The multi-element reference material National Institute of Standards and Technology-2783 (air particulate filter) was used for evaluating the accuracy of the calibration procedure of the 22 elements in our standard analysis routine, and the uncertainty associated with calibration procedures was evaluated. The overall performance of the instrument and validation of our measurements were assessed by comparison with results obtained from parallel analysis using particle-induced X-ray emission and another Epsilon 5 spectrometer. The elemental composition in 660 samples collected at a pristine site in the Amazon Basin and of 1416 samples collected at a site perturbed by land use change was determined. Our measurements show trace elements associated with biogenic aerosols, soil dust, biomass burning, and sea-salt, even for the very low concentrations as observed in Amazonia. Copyright (C) 2014 John Wiley & Sons, Ltd.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000337724600006 Publication Date (down) 2014-06-09
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0049-8246 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor Times cited Open Access
  Notes Approved no
  Call Number UA @ admin @ c:irua:118419 Serial 8342
Permanent link to this record
 

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

 
Author Janssen, W.; Turner, S.; Sakr, G.; Jomard, F.; Barjon, J.; Degutis, G.; Lu, Y.G.; D'Haen, J.; Hardy, A.; Bael, M.V.; Verbeeck, J.; Van Tendeloo, G.; Haenen, K.
  Title Substitutional phosphorus incorporation in nanocrystalline CVD diamond thin films Type A1 Journal article
  Year 2014 Publication Physica status solidi: rapid research letters Abbreviated Journal Phys Status Solidi-R
  Volume 8 Issue 8 Pages 705-709
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract Nanocrystalline diamond (NCD) thin films were produced by chemical vapor deposition (CVD) and doped by the addition of phosphine to the gas mixture. The characterization of the films focused on probing the incorporation and distribution of the phosphorus (P) dopants. Electron microscopy evaluated the overall film morphology and revealed the interior structure of the nanosized grains. The homogeneous films with distinct diamond grains featured a notably low sp(2):sp(3)-ratio as confirmed by Raman spectroscopy. High resolution spectroscopy methods demonstrated a homogeneous P-incorporation, both in-depth and in-plane. The P concentration in the films was determined to be in the order of 10(19) cm(-3) with a significant fraction integrated at substitutional donor sites. (C) 2014 WILEY-VCH Verlag GmbH Co. KGaA, Weinheim
  Address
  Corporate Author Thesis
  Publisher Place of Publication Berlin Editor
  Language Wos 000340484100007 Publication Date (down) 2014-06-05
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1862-6254; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 3.032 Times cited 20 Open Access
  Notes Fwo G055510n; G056810n; G.045612; 246791 Countatoms; 312483 Esteem2; esteem2_jra3 Approved Most recent IF: 3.032; 2014 IF: 2.142
  Call Number UA @ lucian @ c:irua:119220 Serial 3346
Permanent link to this record
 

 
Author Çakir, D.; Peeters, F.M.
  Title Dependence of the electronic and transport properties of metal-MoSe2 interfaces on contact structures Type A1 Journal article
  Year 2014 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
  Volume 89 Issue 24 Pages 245403
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract Transition metal dichalcogenides (TMDs) are considered as promising candidates for next generation of electronic and optoelectronic devices. To make use of these materials, for instance in field effect transistor applications, it is mandatory to know the detailed properties of contacts of such TMDs with metal electrodes. Here, we investigate the role of the contact structure on the electronic and transport properties of metal-MoSe2 interfaces. Two different contact types, namely face and edge contacts, are studied. We consider both low (Sc) and high (Au) work function metals in order to thoroughly elucidate the role of the metal work function and the type of metal. First principles plane wave calculations and transport calculations based on nonequilibrium Green's function formalism reveal that the contact type has a large impact on the electronic and transport properties of metal-MoSe2 interfaces. For the Sc electrode, the Schottky barrier heights are around 0.25 eV for face contact and bigger than 0.6 eV for edge contact. For the Au case, we calculate very similar barrier heights for both contact types with an average value of 0.5 eV. Furthermore, while the face contact is found to be highly advantageous as compared to the edge contact for the Sc electrode, the latter contact becomes a better choice for the Au electrode. Our findings provide guidelines for the fabrication of TMD-based devices.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000336917700004 Publication Date (down) 2014-06-04
  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 39 Open Access
  Notes ; This work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem foundation of the Flemish government. Computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure), and HPC infrastructure of the University of Antwerp (CalcUA), a division of the Flemish Supercomputer Center (VSC), which is funded by the Hercules foundation. D. C. is supported by a FWO Pegasus-short Marie Curie Fellowship. ; Approved Most recent IF: 3.836; 2014 IF: 3.736
  Call Number UA @ lucian @ c:irua:117750 Serial 644
Permanent link to this record
 

 
Author Boneschanscher, M.P.; Evers, W.H.; Geuchies, J.J.; Altantzis, T.; Goris, B.; Rabouw, F.T.; van Rossum, S.A.P.; van der Zant, H.S.J.; Siebbeles, L.D.A.; Van Tendeloo, G.; Swart, I.; Hilhorst, J.; Petukhov, A.V.; Bals, S.; Vanmaekelbergh, D.;
  Title Long-range orientation and atomic attachment of nanocrystals in 2D honeycomb superlattices Type A1 Journal article
  Year 2014 Publication Science Abbreviated Journal Science
  Volume 344 Issue 6190 Pages 1377-1380
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
  Abstract Oriented attachment of synthetic semiconductor nanocrystals is emerging as a route for obtaining new semiconductors that can have Dirac-type electronic bands like graphene, but also strong spin-orbit coupling. The two-dimensional assembly geometry will require both atomic coherence and long-range periodicity of the superlattices. We show how the interfacial self-assembly and oriented attachment of nanocrystals results in two-dimensional (2D) metal chalcogenide semiconductors with a honeycomb superlattice. We present an extensive atomic and nanoscale characterization of these systems using direct imaging and wave scattering methods. The honeycomb superlattices are atomically coherent, and have an octahedral symmetry that is buckled; the nanocrystals occupy two parallel planes. Considerable necking and large-scale atomic motion occurred during the attachment process.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Washington, D.C. Editor
  Language Wos 000337531700035 Publication Date (down) 2014-05-30
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0036-8075;1095-9203; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 37.205 Times cited 304 Open Access OpenAccess
  Notes Fwo; 262348 Esmi; 246791 Countatoms; 335078 Colouratom; ECAS_Sara; (ROMEO:green; preprint:; postprint:can ; pdfversion:cannot); Approved Most recent IF: 37.205; 2014 IF: 33.611
  Call Number UA @ lucian @ c:irua:117095 Serial 1840
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