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Author Yan, Y.; Zhou, X.; Jin, H.; Li, C.-Z.; Ke, X.; Van Tendeloo, G.; Liu, K.; Yu, D.; Dressel, M.; Liao, Z.-M. url  doi
openurl 
  Title Surface-Facet-Dependent Phonon Deformation Potential in Individual Strained Topological Insulator Bi2Se3 Nanoribbons Type A1 Journal article
  Year (down) 2015 Publication ACS nano Abbreviated Journal Acs Nano  
  Volume 9 Issue 9 Pages 10244-10251  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract Strain is an important method to tune the properties of topological insulators. For example, compressive strain can induce superconductivity in Bi2Se3 bulk material. Topological insulator nanostructures are the superior candidates to utilize the unique surface states due to the large surface to volume ratio. Therefore, it is highly desirable to monitor the local strain effects in individual topological insulator nanostructures. Here, we report the systematical micro-Raman spectra of single strained Bi2Se3 nanoribbons with different thicknesses and different surface facets, where four optical modes are resolved in both Stokes and anti-Stokes Raman spectral lines. A striking anisotropy of the strain dependence is observed in the phonon frequency of strained Bi2Se3 nanoribbons grown along the ⟨112̅0⟩ direction. The frequencies of the in-plane Eg2 and out-of-plane A1g1 modes exhibit a nearly linear blue-shift against bending strain when the nanoribbon is bent along the ⟨112̅0⟩ direction with the curved {0001} surface. In this case, the phonon deformation potential of the Eg2 phonon for 100 nm-thick Bi2Se3 nanoribbon is up to 0.94 cm–1/%, which is twice of that in Bi2Se3 bulk material (0.52 cm–1/%). Our results may be valuable for the strain modulation of individual topological insulator nanostructures.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language English Wos 000363915300079 Publication Date 2015-09-12  
  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 14 Open Access  
  Notes Y.Y. would like to thank Xuewen Fu for helpful discussions. This work was supported by MOST (Nos. 2013CB934600, 2013CB932602) and NSFC (Nos. 11274014, 11234001). Approved Most recent IF: 13.942; 2015 IF: 12.881  
  Call Number c:irua:129216 Serial 3963  
Permanent link to this record
 

 
Author Béché, A.; Winkler, R.; Plank, H.; Hofer, F.; Verbeeck, J. pdf  url
doi  openurl
  Title Focused electron beam induced deposition as a tool to create electron vortices Type A1 Journal article
  Year (down) 2015 Publication Micron Abbreviated Journal Micron  
  Volume 80 Issue 80 Pages 34-38  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract Focused electron beam induced deposition (FEBID) is a microscopic technique that allows geometrically controlled material deposition with very high spatial resolution. This technique was used to create a spiral aperture capable of generating electron vortex beams in a transmission electron microscope (TEM). The vortex was then fully characterized using different TEM techniques, estimating the average orbital angular momentum to be approximately 0.8variant Planck's over 2pi per electron with almost 60% of the beam ending up in the l=1 state.  
  Address EMAT, University of Antwerp, Groenenborgerlaan 171, 2020 Antwerp, Belgium  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language English Wos 000366770100006 Publication Date 2015-09-12  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0968-4328; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.98 Times cited 21 Open Access  
  Notes A.B and J.V. acknowledge funding from the European Research Council under the 7th Framework Program (FP7), ERC Starting Grant No. 278510 VORTEX. J.V., R.W., H.P. and F.H. acknowledge financial support from the European Union under the 7th Framework Program (FP7) under a contract for an Integrated Infrastructure Initiative (Reference No. 312483 ESTEEM2). R.W and H.P also acknowledge financial support by the COST action CELINA (Nr. CM1301) and the EUROSTARS project TRIPLE-S (Nr. E!8213). The Qu-Ant-EM microscope was partly funded by the Hercules fund from the Flemish Government.; esteem2jra3 ECASJO; Approved Most recent IF: 1.98; 2015 IF: 1.988  
  Call Number c:irua:129203 c:irua:129203UA @ admin @ c:irua:129203 Serial 3946  
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Author Torun, E.; Sahin, H.; Bacaksiz, C.; Senger, R.T.; Peeters, F.M. url  doi
openurl 
  Title Tuning the magnetic anisotropy in single-layer crystal structures Type A1 Journal article
  Year (down) 2015 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 92 Issue 92 Pages 104407  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract The effect of an applied electric field and the effect of charging are investigated on themagnetic anisotropy (MA) of various stable two-dimensional (2D) crystals such as graphene, FeCl2, graphone, fluorographene, and MoTe2 using first-principles calculations. We found that themagnetocrystalline anisotropy energy of Co-on-graphene and Os-doped-MoTe2 systems change linearly with electric field, opening the possibility of electric field tuningMAof these compounds. In addition, charging can rotate the easy-axis direction ofCo-on-graphene andOs-doped-MoTe2 systems from the out-of-plane (in-plane) to in-plane (out-of-plane) direction. The tunable MA of the studied materials is crucial for nanoscale electronic technologies such as data storage and spintronics devices. Our results show that controlling the MA of the mentioned 2D crystal structures can be realized in various ways, and this can lead to the emergence of a wide range of potential applications where the tuning and switching of magnetic functionalities are important.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Lancaster, Pa Editor  
  Language Wos 000360961400004 Publication Date 2015-09-11  
  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 Foundation of the Flemish government. Computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure), and HPC infrastructure of the University of Antwerp (CalcUA), a division of the Flemish Supercomputer Center (VSC), which is funded by the Hercules Foundation. H.S. is supported by a FWO Pegasus Marie Curie Fellowship. C.B. and R.T.S. acknowledge support from TUBITAK Project No. 111T318. ; Approved Most recent IF: 3.836; 2015 IF: 3.736  
  Call Number UA @ lucian @ c:irua:127838 Serial 4269  
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Author Sun, Z.; Madej, E.; Wiktor; Sinev, I.; Fischer, R.A.; Van Tendeloo, G.; Muhler, M.; Schuhmann, W.; Ventosa, E. pdf  doi
openurl 
  Title One-pot synthesis of carbon-coated nanostructured iron oxide on few-layer graphene for lithium-ion batteries Type A1 Journal article
  Year (down) 2015 Publication Chemistry: a European journal Abbreviated Journal Chem-Eur J  
  Volume 21 Issue 21 Pages 16154-16161  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract Nanostructure engineering has been demonstrated to improve the electrochemical performance of iron oxide based electrodes in Li-ion batteries (LIBs). However, the synthesis of advanced functional materials often requires multiple steps. Herein, we present a facile one-pot synthesis of carbon-coated nanostructured iron oxide on few-layer graphene through high-pressure pyrolysis of ferrocene in the presence of pristine graphene. The ferrocene precursor supplies both iron and carbon to form the carbon-coated iron oxide, while the graphene acts as a high-surface-area anchor to achieve small metal oxide nanoparticles. When evaluated as a negative-electrode material for LIBs, our composite showed improved electrochemical performance compared to commercial iron oxide nanopowders, especially at fast charge/discharge rates.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Weinheim Editor  
  Language Wos 000363890700036 Publication Date 2015-09-11  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0947-6539 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 5.317 Times cited 8 Open Access  
  Notes Approved Most recent IF: 5.317; 2015 IF: 5.731  
  Call Number UA @ lucian @ c:irua:129510 Serial 4218  
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Author De Bie, C.; van Dijk, J.; Bogaerts, A. pdf  url
doi  openurl
  Title The Dominant Pathways for the Conversion of Methane into Oxygenates and Syngas in an Atmospheric Pressure Dielectric Barrier Discharge Type A1 Journal article
  Year (down) 2015 Publication The journal of physical chemistry: C : nanomaterials and interfaces Abbreviated Journal J Phys Chem C  
  Volume 119 Issue 119 Pages 22331-22350  
  Keywords A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract A one-dimensional fluid model for a dielectric barrier discharge in CH4/O2 and CH4/CO2 gas mixtures is developed. The model describes the gas-phase chemistry for partial oxidation and for dry reforming of methane. The spatially averaged densities of the various plasma species are presented as a function of time and initial gas mixing ratio. Besides, the conversion of the inlet gases and the selectivities of the reaction products are calculated. Syngas, higher hydrocarbons, and higher oxygenates are typically found to be important reaction products. Furthermore, the main underlying reaction pathways for the formation of syngas, methanol, formaldehyde, and other higher oxygenates are determined.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000362385700010 Publication Date 2015-09-10  
  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 46 Open Access  
  Notes This work was carried out using the Turing HPC infrastructure at the CalcUA core facility of the Universiteit Antwerpen, a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government (department EWI), and the Universiteit Antwerpen. The authors also acknowledge financial support from the IAP/7 (Interuniversity Attraction Pole) program “PSI-Physical Chemistry of Plasma- Surface Interactions” by the Belgian Federal Office for Science Policy (BELSPO) and from the Fund for Scientific Research Flanders (FWO). Approved Most recent IF: 4.536; 2015 IF: 4.772  
  Call Number c:irua:128774 Serial 3960  
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Author Schoeters, B.; Leenaerts, O.; Pourtois, G.; Partoens, B. pdf  url
doi  openurl
  Title Ab-initio study of the segregation and electronic properties of neutral and charged B and P dopants in Si and Si/SiO2 nanowires Type A1 Journal article
  Year (down) 2015 Publication Journal of applied physics Abbreviated Journal J Appl Phys  
  Volume 118 Issue 118 Pages 104306  
  Keywords A1 Journal article; Condensed Matter Theory (CMT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract We perform first-principles calculations to investigate the preferred positions of B and P dopants, both neutral and in their preferred charge state, in Si and Si/SiO2 core-shell nanowires (NWs). In order to understand the observed trends in the formation energy, we isolate the different effects that determine these formation energies. By making the distinction between the unrelaxed and the relaxed formation energy, we separate the impact of the relaxation from that of the chemical environment. The unrelaxed formation energies are determined by three effects: (i) the effect of strain caused by size mismatch between the dopant and the host atoms, (ii) the local position of the band edges, and (iii) a screening effect. In the case of the SiNW (Si/SiO2 NW), these effects result in an increase of the formation energy away from the center (interface). The effect of relaxation depends on the relative size mismatch between the dopant and host atoms. A large size mismatch causes substantial relaxation that reduces the formation energy considerably, with the relaxation being more pronounced towards the edge of the wires. These effects explain the surface segregation of the B dopants in a SiNW, since the atomic relaxation induces a continuous drop of the formation energy towards the edge. However, for the P dopants, the formation energy starts to rise when moving from the center but drops to a minimum just next to the surface, indicating a different type of behavior. It also explains that the preferential location for B dopants in Si/SiO2 core-shell NWs is inside the oxide shell just next to the interface, whereas the P dopants prefer the positions next to the interface inside the Si core, which is in agreement with recent experiments. These preferred locations have an important impact on the electronic properties of these core-shell NWs. Our simulations indicate the possibility of hole gas formation when B segregates into the oxide shell.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000361636900031 Publication Date 2015-09-09  
  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 3 Open Access  
  Notes This work was carried out using the Turing HPC infrastructure at the CalcUA core facility of the Universiteit Antwerpen, a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish government and the Universiteit Antwerpen. Approved Most recent IF: 2.068; 2015 IF: 2.183  
  Call Number c:irua:128729 Serial 4056  
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Author Hoon Park, J.; Kumar, N.; Hoon Park, D.; Yusupov, M.; Neyts, E.C.; Verlackt, C.C.W.; Bogaerts, A.; Ho Kang, M.; Sup Uhm, H.; Ha Choi, E.; Attri, P.; url  doi
openurl 
  Title A comparative study for the inactivation of multidrug resistance bacteria using dielectric barrier discharge and nano-second pulsed plasma Type A1 Journal article
  Year (down) 2015 Publication Scientific reports Abbreviated Journal Sci Rep-Uk  
  Volume 5 Issue 5 Pages 13849  
  Keywords A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract Bacteria can be inactivated through various physical and chemical means, and these have always been the focus of extensive research. To further improve the methodology for these ends, two types of plasma systems were investigated: nano-second pulsed plasma (NPP) as liquid discharge plasma and an Argon gas-feeding dielectric barrier discharge (Ar-DBD) as a form of surface plasma. To understand the sterilizing action of these two different plasma sources, we performed experiments with Staphylococcus aureus (S. aureus) bacteria (wild type) and multidrug resistant bacteria (Penicillum-resistant, Methicillin-resistant and Gentamicin-resistant). We observed that both plasma sources can inactivate both the wild type and multidrug-resistant bacteria to a good extent. Moreover, we observed a change in the surface morphology, gene expression and β-lactamase activity. Furthermore, we used X-ray photoelectron spectroscopy to investigate the variation in functional groups (C-H/C-C, C-OH and C=O) of the peptidoglycan (PG) resulting from exposure to plasma species. To obtain atomic scale insight in the plasma-cell interactions and support our experimental observations, we have performed molecular dynamics simulations to study the effects of plasma species, such as OH, H2O2, O, O3, as well as O2 and H2O, on the dissociation/formation of above mentioned functional groups in PG.  
  Address  
  Corporate Author Thesis  
  Publisher Nature Publishing Group Place of Publication London Editor  
  Language Wos 000360909000001 Publication Date 2015-09-09  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2045-2322; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 4.259 Times cited 32 Open Access  
  Notes Approved Most recent IF: 4.259; 2015 IF: 5.578  
  Call Number c:irua:127410 Serial 419  
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Author Yagmurcukardes, M.; Sahin, H.; Kang, J.; Torun, E.; Peeters, F.M.; Senger, R.T. doi  openurl
  Title Pentagonal monolayer crystals of carbon, boron nitride, and silver azide Type A1 Journal article
  Year (down) 2015 Publication Journal of applied physics Abbreviated Journal J Appl Phys  
  Volume 118 Issue 118 Pages 104303  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract In this study, we present a theoretical investigation of structural, electronic, and mechanical properties of pentagonal monolayers of carbon (p-graphene), boron nitride (p-B2N4 and p-B4N2), and silver azide (p-AgN3) by performing state-of-the-art first principles calculations. Our total energy calculations suggest feasible formation of monolayer crystal structures composed entirely of pentagons. In addition, electronic band dispersion calculations indicate that while p-graphene and p-AgN3 are semiconductors with indirect bandgaps, p-BN structures display metallic behavior. We also investigate the mechanical properties (in-plane stiffness and the Poisson's ratio) of four different pentagonal structures under uniaxial strain. p-graphene is found to have the highest stiffness value and the corresponding Poisson's ratio is found to be negative. Similarly, p-B2N4 and p-B4N2 have negative Poisson's ratio values. On the other hand, the p-AgN3 has a large and positive Poisson's ratio. In dynamical stability tests based on calculated phonon spectra of these pentagonal monolayers, we find that only p-graphene and p-B2N4 are stable, but p-AgN3 and p-B4N2 are vulnerable against vibrational excitations.  
  Address  
  Corporate Author Thesis  
  Publisher American Institute of Physics Place of Publication New York, N.Y. Editor  
  Language Wos 000361636900028 Publication Date 2015-09-08  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0021-8979; 1089-7550 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.068 Times cited 79 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. was supported by a FWO Pegasus Long Marie Curie Fellowship. H.S. and R.T.S. acknowledge the support from TUBITAK through Project No. 114F397. ; Approved Most recent IF: 2.068; 2015 IF: 2.183  
  Call Number UA @ lucian @ c:irua:128415 Serial 4223  
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Author Zalfani, M.; van der Schueren, B.; Hu, Z.-Y.; Rooke, J.C.; Bourguiga, R.; Wu, M.; Li, Y.; Van Tendeloo, G.; Su, B.-L. pdf  url
doi  openurl
  Title Novel 3DOM BiVO4/TiO2nanocomposites for highly enhanced photocatalytic activity Type A1 Journal article
  Year (down) 2015 Publication Journal of materials chemistry A : materials for energy and sustainability Abbreviated Journal J Mater Chem A  
  Volume 3 Issue 3 Pages 21244-21256  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract Novel 3DOM BiVO4/TiO2 nanocomposites with intimate contact were for the first time synthesized by a hydrothermal method in order to elucidate their visible-light-driven photocatalytic performances. BiVO4 nanoparticles and 3DOM TiO2 inverse opal were fabricated respectively. These materials were characterized by XRD, XPS, SEM, TEM, N2 adsorption–desorption and UV-vis diffuse (UV-vis) and photoluminescence spectroscopies. As references for comparison, a physical mixture of BiVO4 nanoparticles and 3DOM TiO2 inverse opal powder (0.08 : 1), and a BiVO4/P25 TiO2 (0.08 : 1) nanocomposite made also by the hydrothermal method were prepared. The photocatalytic performance of all the prepared materials was evaluated by the degradation of rhodamine B (RhB) as a model pollutant molecule under visible light irradiation. The highly ordered 3D macroporous inverse opal structure can provide more active surface areas and increased mass transfer because of its highly accessible 3D porosity. The results show that 3DOM BiVO4/TiO2 nanocomposites possess a highly prolonged lifetime and increased separation of visible light generated charges and extraordinarily high photocatalytic activity. Owing to the intimate contact between BiVO4 and large surface area 3DOM TiO2, the photogenerated high energy charges can be easily transferred from BiVO4 to the 3DOM TiO2 support. BiVO4 nanoparticles in the 3DOM TiO2 inverse opal structure act thus as a sensitizer to absorb visible light and to transfer efficiently high energy electrons to TiO2 to ensure long lifetime of the photogenerated charges and keep them well separated, owing to the direct band gap of BiVO4 of 2.4 eV, favourably positioned band edges, very low recombination rate of electron–hole pairs and stability when coupled with photocatalysts, explaining the extraordinarily high photocatalytic performance of 3DOM BiVO4/TiO2 nanocomposites. It is found that larger the amount of BiVO4 in the nanocomposite, longer the duration of photogenerated charge separation and higher the photocatalytic activity. This work can shed light on the development of novel visible light responsive nanomaterials for efficient solar energy utilisation by the intimate combination of an inorganic light sensitizing nanoparticle with an inverse opal structure with high diffusion efficiency and high accessible surface area.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000363163200049 Publication Date 2015-09-08  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2050-7488;2050-7496; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 8.867 Times cited 88 Open Access  
  Notes This work was realized with the financial support of the Belgian FNRS (Fonds National de la Recherche Scientifique). This research used resources of the Electron Microscopy Service located at the University of Namur. This Service is a member of the “Plateforme Technologique Morphologie – Imagerie”. The XPS analyses were made in the LISE, Department of Physics of the University of Namur thanks to Dr P. Louette. This work was also supported by Changjiang Scholars and the Innovative Research Team (IRT1169) of the Ministry of Education of the People's Republic of China. B. L. Su acknowledges the Chinese Central Government for an “Expert of the State” position in the Program of the “Thousand Talents” and a Clare Hall Life Membership at the Clare Hall and the financial support of the Department of Chemistry, University of Cambridge. G. Van Tendeloo and Z. Y. Hu acknowledge support from the EC Framework 7 program ESTEEM2 (Reference 312483).; esteem2_jra4 Approved Most recent IF: 8.867; 2015 IF: 7.443  
  Call Number c:irua:129476 c:irua:129476 Serial 3951  
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Author Wolf, D.; Rodriguez, L.A.; Béché, A.; Javon, E.; Serrano, L.; Magen, C.; Gatel, C.; Lubk, A.; Lichte, H.; Bals, S.; Van Tendeloo, G.; Fernández-Pacheco, A.; De Teresa, J.M.; Snoeck, E. url  doi
openurl 
  Title 3D Magnetic Induction Maps of Nanoscale Materials Revealed by Electron Holographic Tomography Type A1 Journal article
  Year (down) 2015 Publication Chemistry of materials Abbreviated Journal Chem Mater  
  Volume 27 Issue 27 Pages 6771-6778  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract The investigation of three-dimensional (3D) ferromagnetic nanoscale materials constitutes one of the key research areas of the current magnetism roadmap, and carries great potential to impact areas such as data storage, sensing and biomagnetism. The properties of such nanostructures are closely connected with their 3D magnetic nanostructure, making their determination highly valuable. Up to now, quantitative 3D maps providing both the internal magnetic and electric configuration of the same specimen with high spatial resolution are missing. Here, we demonstrate the quantitative 3D reconstruction of the dominant axial component of the magnetic induction and electrostatic potential within a cobalt nanowire (NW) of 100 nm in diameter with spatial resolution below 10 nanometers by applying electron holographic tomography. The tomogram was obtained using a dedicated TEM sample holder for acquisition, in combination with advanced alignment and tomographic reconstruction routines. The powerful approach presented here is widely applicable to a broad range of 3D magnetic nanostructures and may trigger the progress of novel spintronic non-planar nanodevices.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000362920700037 Publication Date 2015-09-08  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0897-4756;1520-5002; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 9.466 Times cited 50 Open Access OpenAccess  
  Notes This work was supported by the European Union under the Seventh Framework Program under a contract for an Inte-grated Infrastructure Initiative Reference 312483-ESTEEM2. S.B. and A.B. gratefully acknowledge funding by ERC Starting grants number 335078 COLOURATOMS and number 278510 VORTEX. AF-P acknowledges an EPSRC Early Career fellowship and support from the Winton Foundation. E.S., C.G. and L.A. R. acknowledge the French ANR program for support though the project EMMA.; esteem2jra4; ECASJO;; ECAS_Sara; (ROMEO:white; preprint:; postprint:restricted 12 months embargo; pdfversion:cannot); Approved Most recent IF: 9.466; 2015 IF: 8.354  
  Call Number c:irua:129180 c:irua:129180 c:irua:129180 Serial 3950  
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Author Goris, B.; de Beenhouwer, J.; de Backer, A.; Zanaga, D.; Batenburg, K.J.; Sánchez-Iglesias, A.; Liz-Marzán, L.M.; Van Aert, S.; Bals, S.; Sijbers, J.; Van Tendeloo, G. pdf  url
doi  openurl
  Title Measuring lattice strain in three dimensions through electron microscopy Type A1 Journal article
  Year (down) 2015 Publication Nano letters Abbreviated Journal Nano Lett  
  Volume 15 Issue 15 Pages 6996-7001  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Vision lab  
  Abstract The three-dimensional (3D) atomic structure of nanomaterials, including strain, is crucial to understand their properties. Here, we investigate lattice strain in Au nanodecahedra using electron tomography. Although different electron tomography techniques enabled 3D characterizations of nanostructures at the atomic level, a reliable determination of lattice strain is not straightforward. We therefore propose a novel model-based approach from which atomic coordinates are measured. Our findings demonstrate the importance of investigating lattice strain in 3D.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Washington Editor  
  Language Wos 000363003100108 Publication Date 2015-09-04  
  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 87 Open Access OpenAccess  
  Notes Fwo; 335078 Colouratom; 267867 Plasmaquo; 312483 Esteem2; 262348 Esmi; esteem2jra4; ECASSara; (ROMEO:white; preprint:; postprint:restricted 12 months embargo; pdfversion:cannot); Approved Most recent IF: 12.712; 2015 IF: 13.592  
  Call Number c:irua:127639 c:irua:127639 Serial 1965  
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Author Zhong, R.; Peng, L.; de Clippel, F.; Gommes, C.; Goderis, B.; Ke, X.; Van Tendeloo, G.; Jacobs, P.A.; Sels, B.F. pdf  doi
openurl 
  Title An eco-friendly soft template synthesis of mesostructured silica-carbon nanocomposites for acid catalysis Type A1 Journal article
  Year (down) 2015 Publication ChemCatChem Abbreviated Journal Chemcatchem  
  Volume 7 Issue 7 Pages 3047-3058  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract The synthesis of ordered mesoporous silica-carbon composites was explored by employing TEOS and sucrose as the silica and carbon precursor respectively, and the triblock copolymer F127 as a structure-directing agent via an evaporation-induced self-assembly (EISA) process. It is demonstrated that the synthesis procedures allow for control of the textural properties and final composition of these silica-carbon nanocomposites via adjustment of the effective SiO2/C weight ratio. Characterization by SAXS, N-2 physisorption, HRTEM, TGA, and C-13 and Si-29 solid-state MAS NMR show a 2D hexagonal mesostructure with uniform large pore size ranging from 5.2 to 7.6nm, comprising of separate carbon phases in a continuous silica phase. Ordered mesoporous silica and non-ordered porous carbon can be obtained by combustion of the pyrolyzed nanocomposites in air or etching with HF solution, respectively. Sulfonic acid groups can be readily introduced to such kind of silica-carbon nanocomposites by a standard sulfonation procedure with concentrated sulfuric acid. Excellent acid-catalytic activities and selectivities for the dimerization of styrene to produce 1,3-diphenyl-1-butene and dimerization of -methylstyrene to unsaturated dimers were demonstrated with the sulfonated materials.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000361189400037 Publication Date 2015-09-03  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1867-3880; 1867-3899 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 4.803 Times cited 13 Open Access  
  Notes Approved Most recent IF: 4.803; 2015 IF: 4.556  
  Call Number UA @ lucian @ c:irua:127836 Serial 4138  
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Author Hamon, C.; Novikov, S.M.; Scarabelli, L.; Solís, D.M.; Altantzis, T.; Bals, S.; Taboada, J.M.; Obelleiro, F.; Liz-Marzán, L.M. pdf  url
doi  openurl
  Title Collective Plasmonic Properties in Few-Layer Gold Nanorod Supercrystals Type A1 Journal article
  Year (down) 2015 Publication ACS Photonics Abbreviated Journal Acs Photonics  
  Volume 2 Issue 2 Pages 1482-1488  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract Gold nanorod supercrystals have been widely employed for the detection of relevant bioanalytes with detection limits ranging from nano- to picomolar levels,

confirming the promising nature of these structures for biosensing. Even though a relationship between the height of the supercrystal (i.e., the number of stacked nanorod layers)and the enhancement factor has been proposed, no systematic

study has been reported. In order to tackle this problem, we prepared gold nanorod supercrystals with varying numbers of stacked layers and analyzed them extensively by atomic force microscopy, electron microscopy and surface enhanced Raman scattering. The experimental results were compared to numerical

simulations performed on real-size supercrystals composed of thousands of nanorod building blocks. Analysis of the hot spot distribution in the simulated supercrystals showed the presence of standing waves that were distributed at different depths, depending on the number of layers in each supercrystal. On the basis of these theoretical results, we interpreted the experimental

data in terms of analyte penetration into the topmost layer only, which indicates that diffusion to the interior of the supercrystals would be crucial if the complete field enhancement produced by the stacked nanorods is to be exploited. We propose that our conclusions will be of high relevance in the design of next generation plasmonic devices.
 
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000363435600013 Publication Date 2015-09-03  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2330-4022 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 6.756 Times cited 70 Open Access OpenAccess  
  Notes The authors are thankful to Dr. Luis Yate for assistance with sample preparation. This work was supported by the European Research Council (ERC Advanced Grant #267867 Plasmaquo and ERC Starting Grant #335078 Colouratom) and the Spanish Ministerio de Economía y Competitividad (MAT2013-46101-R). D.M.S., J.M.T., and F.O. acknowledge funding from the European Regional Development Fund (ERDF) and the Spanish Ministerio de Economiá y Competitividad (MAT2014-58201-C2-1-R, MAT2014-58201- C2-2-R, Project TACTICA), from the ERDF and the Galician Regional Government under Projects CN2012/279 and CN2012/260 (AtlantTIC) and the Plan I2C (2011−2015), and from the ERDF and the Extremadura Regional Government (Junta de Extremadura Project IB13185).; ECAS_Sara; (ROMEO:white; preprint:; postprint:restricted 12 months embargo; pdfversion:cannot); Approved Most recent IF: 6.756; 2015 IF: NA  
  Call Number c:irua:129458 Serial 3978  
Permanent link to this record
 

 
Author Barreca, D.; Carraro, G.; Gasparotto, A.; Maccato, C.; Warwick, M.E.A.; Kaunisto, K.; Sada, C.; Turner, S.; Gönüllü, Y.; Ruoko, T.-P.; Borgese, L.; Bontempi, E.; Van Tendeloo, G.; Lemmetyinen, H.; Mathur, S. pdf  url
doi  openurl
  Title Fe2O3-TiO2Nano-heterostructure Photoanodes for Highly Efficient Solar Water Oxidation Type A1 Journal article
  Year (down) 2015 Publication Advanced Materials Interfaces Abbreviated Journal Adv Mater Interfaces  
  Volume 2 Issue 2 Pages 1500313  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract Harnessing solar energy for the production of clean hydrogen by photo­electrochemical water splitting represents a very attractive, but challenging approach for sustainable energy generation. In this regard, the fabrication of Fe2O3–TiO2 photoanodes is reported, showing attractive performances [≈2.0 mA cm−2 at 1.23 V vs. the reversible hydrogen electrode in 1 M NaOH] under simulated one-sun illumination. This goal, corresponding to a tenfold photoactivity enhancement with respect to bare Fe2O3, is achieved by atomic layer deposition of TiO2 over hematite (α-Fe2O3) nanostructures fabricated by plasma enhanced-chemical vapor deposition and final annealing at 650 °C. The adopted approach enables an intimate Fe2O3–TiO2 coupling, resulting in an electronic interplay at the Fe2O3/TiO2 interface. The reasons for the photocurrent enhancement determined by TiO2 overlayers with increasing thickness are unraveled by a detailed chemico-physical investigation, as well as by the study of photo­generated charge carrier dynamics. Transient absorption spectroscopy shows that the increased photoelectrochemical response of heterostructured photoanodes compared to bare hematite is due to an enhanced separation of photogenerated charge carriers and more favorable hole dynamics for water oxidation. The stable responses obtained even in simulated seawater provides a feasible route in view of the eventual large-scale generation of renewable energy.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000368914700011 Publication Date 2015-09-03  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2196-7350; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 4.279 Times cited 56 Open Access  
  Notes The authors kindly acknowledge the fi nancial support under the FP7 project “SOLAROGENIX” (NMP4-SL-2012-310333), as well as Padova University ex-60% 2012–2014 projects, Grant No. CPDR132937/13 (SOLLEONE), and Regione Lombardia-INSTM ATLANTE projects. S.T. acknowledges the FWO Flanders for a postdoctoral scholarship. Approved Most recent IF: 4.279; 2015 IF: NA  
  Call Number c:irua:129201 Serial 3957  
Permanent link to this record
 

 
Author Bal, K.M.; Neyts, E.C. pdf  url
doi  openurl
  Title Merging Metadynamics into Hyperdynamics: Accelerated Molecular Simulations Reaching Time Scales from Microseconds to Seconds Type A1 Journal article
  Year (down) 2015 Publication Journal of chemical theory and computation Abbreviated Journal J Chem Theory Comput  
  Volume 11 Issue 11 Pages 4545-4554  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract The hyperdynamics method is a powerful tool to simulate slow processes at the atomic level. However, the construction of an optimal hyperdynamics potential is a task that is far from trivial. Here, we propose a generally applicable implementation of the hyperdynamics algorithm, borrowing two concepts from metadynamics. First, the use of a collective variable (CV) to represent the accelerated dynamics gives the method a very large flexibility and simplicity. Second, a metadynamics procedure can be used to construct a suitable history-dependent bias potential on-the-fly, effectively turning the algorithm into a self-learning accelerated molecular dynamics method. This collective variable-driven hyperdynamics (CVHD) method has a modular design: both the local system properties on which the bias is based, as well as the characteristics of the biasing method itself, can be chosen to match the needs of the considered system. As a result, system-specific details are abstracted from the biasing algorithm itself, making it extremely versatile and transparent. The method is tested on three model systems: diffusion on the Cu(001) surface and nickel-catalyzed methane decomposition, as examples of reactive processes with a bond-length-based CV, and the folding of a long polymer-like chain, using a set of dihedral angles as a CV. Boost factors up to 109, corresponding to a time scale of seconds, could be obtained while still accurately reproducing correct dynamics.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000362921700004 Publication Date 2015-09-02  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1549-9618 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 5.245 Times cited 41 Open Access  
  Notes K.M.B. is funded as Ph.D. fellow (aspirant) of the FWOFlanders (Fund for Scientific Research-Flanders), Grant No. 11 V8915N. The computational resources and services used in this work were provided by the VSC (Flemish Supercomputer Center) and the HPC infrastructure of the University of Antwerp (CalcUA), funded by the Hercules Foundation and the Flemish Government−Department EWI. Approved Most recent IF: 5.245; 2015 IF: 5.498  
  Call Number c:irua:128183 Serial 3991  
Permanent link to this record
 

 
Author Soltani, S.; Azadi, H.; Hosseini, S.J.F.; Witlox, F.; Van Passel, S. url  doi
openurl 
  Title Marketing innovation in rural small food industries in Iran Type A1 Journal article
  Year (down) 2015 Publication Journal of food products marketing Abbreviated Journal  
  Volume 21 Issue 5 Pages 533-551  
  Keywords A1 Journal article; Economics; Engineering Management (ENM); Government and Law  
  Abstract Marketing innovation is essential for small industries to transform products into profit; therefore, understanding its nature and determinants is of utmost importance. This study aimed at understanding marketing innovation and its determinants in the 60 small food industries in the rural areas of Tehran province, Iran. Using a census sampling method, 111 managers of these firms were interviewed. Results showed that the firms performance in marketing innovation is generally weak, and a higher level of radical innovation in marketing is perceived compared to the incremental innovation. Also, a cause-and-effect relationship exists between both product and organizational innovations and marketing innovation. Furthermore, while incremental marketing innovation was negatively influenced by formal R&D unit, product diversification, and the managers years of experience, radical marketing innovation was affected by the capacity of production, product diversification, and managers age and education. The study concluded that in order to boost marketing innovation, innovation should be made also in products and organization. In addition, in order to facilitate the process of marketing innovation, practical and updated training for managers encouraging incremental innovation in marketing, product diversification, and improving R&D activities in the studied firms should be regarded.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos Publication Date 2015-09-01  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1045-4446 ISBN Additional Links UA library record  
  Impact Factor Times cited Open Access  
  Notes Approved Most recent IF: NA  
  Call Number UA @ admin @ c:irua:130144 Serial 6225  
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Author Trentelman, K.; Janssens, K.; van der Snickt, G.; Szafran, Y.; Woollett, A.T.; Dik, J. url  doi
openurl 
  Title Rembrandt's An Old Man in Military Costume: the underlying image re-examined Type A1 Journal article
  Year (down) 2015 Publication Applied physics A : materials science & processing Abbreviated Journal Appl Phys A-Mater  
  Volume 121 Issue 3 Pages 801-811  
  Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)  
  Abstract The painting An Old Man in Military Costume in the J. Paul Getty Museum, by Rembrandt Harmensz van Rijn, was studied using two complementary, element-specific imaging techniques-neutron activation autoradiography (NAAR) and macro-X-ray fluorescence (MA-XRF) mapping-to reveal the second, hidden painting. NAAR provided a strong image of the face and cloak of the underlying figure, along with an indication of the chemical composition. The single-element distribution maps produced by MA-XRF mapping provided additional details into the shape of the underlying image and the composition of the pigments used. The underlying figure's face is richer in mercury, indicative of the pigment vermilion, than the face of the figure on the surface. Likewise, the cloak of the underlying figure is richer in copper than the surface figure though the identity of the copper-containing pigment cannot be determined from these data. The use of iron earth pigments, specifically Si-rich umbers, is indicated through the complementary information provided by the NAAR and MA-XRF maps. These data are used to create a false color digital reconstruction, yielding the most detailed representation of the underlying painting to date.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000364914100003 Publication Date 2015-08-31  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0947-8396 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.455 Times cited 22 Open Access  
  Notes ; The authors gratefully acknowledge the assistance of all those who aided in the examination of this painting over the decades, that has culminated in the work presented here. Particular thanks go to Mark Leonard (former head of Paintings Conservation at the J. Paul Getty Museum) and Henry Prask (NIST) for carrying out the NAAR analysis; John Twilley (former GCI Scientist) for early investigations; Andrea Sartorius (former JPGM Paintings intern) for creating a mock-up painting used in earlier phases of this work; Peter Reishig (former GCI intern) for compiling the NAAR data; Catherine Patterson, Lynn Lee, and David Carson (GCI Science) and Gene Karraker (JPGM Paintings Conservation) for helping with the setup and operation of the M6 Jetstream; and Giacomo Chiari (former head of GCI Science) for performing the XRD analysis. Koen Janssens and Geert van der Snickt acknowledge the Fund Inbev-Baillet Latour for financial support. Joris Dik acknowledges the help of the Netherlands Organization for Scientific Research (NWO) in the form of a VIDI grant in the Innovational Research Incentive Scheme. ; Approved Most recent IF: 1.455; 2015 IF: 1.704  
  Call Number UA @ admin @ c:irua:130289 Serial 5812  
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Author Pollefeyt, G.; Meledin, A.; Pop, C.; Ricart, S.; Hühne, R.; Van Tendeloo, G.; Van Driessche, I. pdf  url
doi  openurl
  Title Chemical stability of YBiO3 buffer layers for implementation in YBa2Cu3O7-δ coated conductors Type A1 Journal article
  Year (down) 2015 Publication Acta materialia Abbreviated Journal Acta Mater  
  Volume 100 Issue 100 Pages 224-231  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract In this work, the chemical and microstructural stability of YBiO3 buffer layers during the growth of YBa2Cu3O7-δ (YBCO) was studied. The superconducting YBCO films were deposited via both Pulsed Laser Deposition as well as Chemical Solution Deposition. Although excellent superconducting properties are obtained in both cases, self-field critical current densities of 3.6 and 1.2 MA/cm2 respectively, chemical instability of the YBiO3 buffer layer is observed. An elaborate transmission electron microscopy study showed that in the case of vacuum deposited YBCO, the YBiO3 becomes unstable and Bi2O3 sublimates out of the architecture. Due to this structural instability, an intermediate Y2O3 layer is obtained which maintains it microstructural orientation relation with the substrate and acts as growth template for YBCO. For chemical solution deposited YBCO, reaction of YBCO with the YBiO3 buffer layer is observed, leading to large grains of YBa2BiO6 which are pushed towards the surface of the films and strongly reduce the superconducting properties. Upon using high growth temperatures for the superconducting layer, these secondary phases decompose, which subsequently leads to Bi2O3 sublimation and a textured YBCO film which directly nucleated onto the LaAlO3 single crystal substrate. Hence, this electron microscopy study indicates that bismuth-based buffer layers systems are not suitable for implementation in coated conductors.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000362616400023 Publication Date 2015-08-29  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1359-6454; ISBN Additional Links UA library record; WoS full record  
  Impact Factor 5.301 Times cited Open Access  
  Notes One of the authors (G.P.) would like to thank the Institute for the Promotion of Innovation through Science and Technology in Flanders (IWT) for funding. Part of this work was performed within the framework of the EuroTapes project (FP7-NMP.2011.2.2-1 Grant No. 280438), funded by the European Union. Approved Most recent IF: 5.301; 2015 IF: 4.465  
  Call Number c:irua:128757 Serial 3953  
Permanent link to this record
 

 
Author Zhang, Y.; Wang, H.-yu; Jiang, W.; Bogaerts, A. url  doi
openurl 
  Title Two-dimensional particle-in cell/Monte Carlo simulations of a packed-bed dielectric barrier discharge in air at atmospheric pressure Type A1 Journal article
  Year (down) 2015 Publication New journal of physics Abbreviated Journal New J Phys  
  Volume 17 Issue 17 Pages 083056  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract The plasma behavior in a parallel-plate dielectric barrier discharge (DBD) is simulated by a two-dimensional particle-in-cell/Monte Carlo collision model, comparing for the first time an unpacked (empty) DBD with a packed bed DBD, i.e., a DBD filled with dielectric spheres in the gas gap. The calculations are performed in air, at atmospheric pressure. The discharge is powered by a pulse with a voltage amplitude of −20 kV. When comparing the packed and unpacked DBD reactors with the same dielectric barriers, it is clear that the presence of the dielectric packing leads to a transition in discharge behavior from a combination of negative streamers and unlimited surface streamers on the bottom dielectric surface to a combination of predominant positive streamers and limited surface discharges on the dielectric surfaces of the beads and plates. Furthermore, in the packed bed DBD, the electric field is locally enhanced inside the dielectric material, near the contact points between the beads and the plates, and therefore also in the plasma between the packing beads and between a bead and the dielectric wall, leading to values of $4\times {10}  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Bristol Editor  
  Language Wos 000360957800003 Publication Date 2015-08-28  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1367-2630; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.786 Times cited 22 Open Access  
  Notes Approved Most recent IF: 3.786; 2015 IF: 3.558  
  Call Number c:irua:127650 Serial 3777  
Permanent link to this record
 

 
Author Tang, X.; Reckinger, N.; Poncelet, O.; Louette, P.; Urena, F.; Idrissi, H.; Turner, S.; Cabosart, D.; Colomer, J.-F.; Raskin, J.-P.; Hackens, B.; Francis, L.A. pdf  url
doi  openurl
  Title Damage evaluation in graphene underlying atomic layer deposition dielectrics Type A1 Journal article
  Year (down) 2015 Publication Scientific reports Abbreviated Journal Sci Rep-Uk  
  Volume 5 Issue 5 Pages 13523  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract Based on micro-Raman spectroscopy (muRS) and X-ray photoelectron spectroscopy (XPS), we study the structural damage incurred in monolayer (1L) and few-layer (FL) graphene subjected to atomic-layer deposition of HfO2 and Al2O3 upon different oxygen plasma power levels. We evaluate the damage level and the influence of the HfO2 thickness on graphene. The results indicate that in the case of Al2O3/graphene, whether 1L or FL graphene is strongly damaged under our process conditions. For the case of HfO2/graphene, muRS analysis clearly shows that FL graphene is less disordered than 1L graphene. In addition, the damage levels in FL graphene decrease with the number of layers. Moreover, the FL graphene damage is inversely proportional to the thickness of HfO2 film. Particularly, the bottom layer of twisted bilayer (t-2L) has the salient features of 1L graphene. Therefore, FL graphene allows for controlling/limiting the degree of defect during the PE-ALD HfO2 of dielectrics and could be a good starting material for building field effect transistors, sensors, touch screens and solar cells. Besides, the formation of Hf-C bonds may favor growing high-quality and uniform-coverage dielectric. HfO2 could be a suitable high-K gate dielectric with a scaling capability down to sub-5-nm for graphene-based transistors.  
  Address ICTEAM Institute, Universite catholique de Louvain, Place du Levant 3, 1348 Louvain-la-Neuve, Belgium  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language English Wos 000360147400001 Publication Date 2015-08-27  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2045-2322; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 4.259 Times cited 18 Open Access  
  Notes The authors thank the staff of UCL’s Winfab and Welcome for technical support. Xiaohui Tang is a senior research of UCL. This work is financially supported by the Multi-Sensor-Platform for Smart Building Management project (No. 611887) and the Action de Recherche Concertée (ARC) “StressTronics”, Communauté française de Belgique. Part of this work is financially supported by the Belgian Fund for Scientific Research (FRS-FNRS) under FRFC contract “Chemographene” (No. 2.4577.11). J.-F. Colomer and B. Hackens are Research Associates of FRS-FNRS. This research used resources of the Electron Microscopy Service located at the University of Namur (“Plateforme Technologique Morphologie – Imagerie”). This research used resources of the ELISE Service of the University of Namur. This Service is member of the “Plateforme Technologique SIAM”. The research leading to this work has received partial funding from the European Union Seventh Framework Program under grant agreement No 604391 Graphene Flagship. Approved Most recent IF: 4.259; 2015 IF: 5.578  
  Call Number c:irua:129193 Serial 3958  
Permanent link to this record
 

 
Author Wee, L.H.; Meledina, M.; Turner, S.; Custers, K.; Kerkhofs, S.; Van Tendeloo, G.; Martens, J.A. pdf  url
doi  openurl
  Title Hematite iron oxide nanorod patterning inside COK-12 mesochannels as an efficient visible light photocatalyst Type A1 Journal article
  Year (down) 2015 Publication Journal of materials chemistry A : materials for energy and sustainability Abbreviated Journal J Mater Chem A  
  Volume 3 Issue 3 Pages 19884-19891  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract The uniform dispersion of functional oxide nanoparticles on the walls of ordered mesoporous silica to tailor optical, electronic, and magnetic properties for biomedical and environmental applications is a scientific challenge. Here, we demonstrate homogeneous confined growth of 5 nanometer-sized hematite iron oxide (α-Fe2O3) inside mesochannels of ordered mesoporous COK-12 nanoplates. The three-dimensional inclusion of the α-Fe2O3 nanorods in COK-12 particles is studied using high-angle annular dark field scanning transmission electron microscopy (HAADF-STEM), energy-dispersive X-ray (EDX) spectroscopy and electron tomography. High resolution imaging and EDX spectroscopy provide information about the particle size, shape and crystal phase of the loaded α-Fe2O3 material, while electron tomography provides detailed information on the spreading of the nanorods throughout the COK-12 host. This nanocomposite material, having a semiconductor band gap energy of 2.40 eV according to diffuse reflectance spectroscopy, demonstrates an improved visible light photocatalytic degradation activity with rhodamine 6G and 1-adamantanol model compounds.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000362041300033 Publication Date 2015-08-26  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2050-7488;2050-7496; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 8.867 Times cited 9 Open Access  
  Notes L.H.W. and S.T. thank the FWO-Vlaanderen for a postdoctoral research fellowship (12M1415N) and under contract number G004613N . J.A.M gratefully acknowledge financial supports from Flemish Government (Long-term structural funding-Methusalem). Collaboration among universities was supported by the Belgian Government (IAP-PAI network). Approved Most recent IF: 8.867; 2015 IF: 7.443  
  Call Number c:irua:132567 Serial 3959  
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Author Ao, Z.; Jiang, Q.; Li, S.; Liu, H.; Peeters, F.M.; Li, S.; Wang, G. url  doi
openurl 
  Title Enhancement of the stability of fluorine atoms on defective graphene and at graphene/fluorographene interface Type A1 Journal article
  Year (down) 2015 Publication ACS applied materials and interfaces Abbreviated Journal Acs Appl Mater Inter  
  Volume 7 Issue 7 Pages 19659-19665  
  Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)  
  Abstract Fluorinated graphene is one of the most important derivatives of graphene and has been found to have great potential in optoelectronic and photonic nanodevices. However, the stability of F atoms on fluorinated graphene under different conditions, which is essential to maintain the desired properties of fluorinated graphene, is still unclear. In this work, we investigate the diffusion of F atoms on pristine graphene, graphene with defects, and at graphene/fluorographene interfaces by using density functional theory calculations. We find that an isolated F atom diffuses easily on graphene, but those F atoms can be localized by inducing vacancies or absorbates in graphene and by creating graphene/fluorographene interfaces, which would strengthen the binding energy of F atoms on graphene and increase the diffusion energy barrier of F atoms remarkably.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000361252400018 Publication Date 2015-08-24  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1944-8244 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 7.504 Times cited 35 Open Access  
  Notes ; We acknowledge the financial supports from the Chancellor's Research Fellowship Program of the University of Technology Sydney, the Flemish Science Foundation (FWO-Vl) and the Methusalem foundation of the Flemish Government. This research was also supported by the National Computational Infrastructure (NCI) through the merit allocation scheme and used the NCI resources and facilities in Canberra, Australia. ; Approved Most recent IF: 7.504; 2015 IF: 6.723  
  Call Number UA @ lucian @ c:irua:128703 Serial 4177  
Permanent link to this record
 

 
Author Christis, M.; Geerken, T.; Vercalsteren, A.; Vrancken, K.C.M. pdf  doi
openurl 
  Title Value in sustainable materials management strategies for open economies case of Flanders (Belgium) Type A1 Journal article
  Year (down) 2015 Publication Resources, conservation and recycling Abbreviated Journal  
  Volume 103 Issue Pages 110-124  
  Keywords A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL)  
  Abstract Sustainable Materials Management (SMM) strategies, such as reuse, recycling and energy recovery aim, to capture more of the embedded resource or material value in products and waste streams. Reuse, recycling and energy recovery are existing activities in every society but they are poorly reflected in official statistics. Reaching higher levels of reuse, recycling and energy recovery may provide economic and environmental opportunities (i.e., in terms of GDP, jobs, reduced impacts), but not all options will have a net win-win-win property in practice, as they reduce the need for producing new commodities. In open economies, many primary resources, components and products are imported from abroad, and many goods produced are exported abroad. This paper describes a top-down methodology for estimating the substitution potential of intensifying specific SMM-strategies and material efficiency strategies. We combined both regional and multi-regional EE-IO (environmentally extended input-output) models to link industrial sectors to SMM-strategies. Our method enables us to compare the different SMM and material efficiency strategies in terms of the maximum available budgets for reaching them on a break even basis, maximum savings in global warming emissions and substituted employment effects, both through a regional and global perspective. We add a case on Flanders (Northern region in Belgium) to illustrate the methodology. Flanders is currently developing a policy for SMM. Selecting new regional actions for a Sustainable Materials Management policy can benefit from a good understanding of the international entangled value chains. It is important to understand how much of the chain is within reach of domestic policies and also to assess the consequences in terms of potential winners and losers, regarding GDP, jobs and environmental impacts, both domestically and abroad. We illustrated the potential outcomes for Flanders from four generic SMM-strategies: energy recovery, food waste prevention, recycling and reuse. From a strict regional self-interest perspective, it is preferable to substitute foreign value chains with local economic activities. Reuse creates by far the largest budget for new activities to realize the strategy (31.2% of Flemish GDP compared to 8.3% for food waste prevention, 6.2% for energy recovery and 4.2% for recycling). All four strategies have similar and significant potentials to reduce greenhouse gas emissions. However, food waste prevention and reuse have higher potentials to reduce Flemish territorial GHG-emissions. From a pure Flemish employment perspective, the energy recovery and recycling strategies could replace the fewest Flemish jobs, and from a global perspective, all strategies most likely imply losses of jobs abroad. (C) 2015 Elsevier B.V. All rights reserved.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000362618600011 Publication Date 2015-08-22  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0921-3449 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:128777 Serial 8732  
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Author Galvan-Moya; Misko, V.R.; Peeters, F.M. url  doi
openurl 
  Title Chainlike transitions in Wigner crystals : sequential versus nonsequential Type A1 Journal article
  Year (down) 2015 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 92 Issue 92 Pages 064112  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract The structural transitions of the ground state of a system of repulsively interacting particles confined in a quasi-one-dimensional channel, and the effect of the interparticle interaction as well as the functional form of the confinement potential on those transitions are investigated. Although the nonsequential ordering of transitions (non-SOT), i.e., the 1 – 2 – 4 – 3 – 4 – 5 – 6 – ... sequence of chain configurations with increasing density, is widely robust as predicted in a number of theoretical studies, the sequential ordering of transitions (SOT), i.e., the 1 – 2 – 3 – 4 – 5 – 6 – ... chain, is found as the ground state for long-ranged interparticle interaction and hard-wall-like confinement potentials. We found an energy barrier between every two different phases around its transition point, which plays an important role in the preference of the system to follow either a SOT or a non-SOT. However, that preferential transition requires also the stability of the phases during the transition. Additionally, we analyze the effect of a small structural disorder on the transition between the two phases around its transition point. Our results show that a small deformation of the triangular structure changes dramatically the picture of the transition between two phases, removing in a considerable region the non-SOT in the system. This feature could explain the fact that the non-SOT is, up to now, not observed in experimental systems, and suggests a more advanced experimental setup to detect the non-SOT.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Lancaster, Pa Editor  
  Language Wos 000359859400003 Publication Date 2015-08-21  
  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 3 Open Access  
  Notes ; This work was supported by the Flemish Science Foundation (FWO-Vl) and the Odysseus and Methusalem programmes of the Flemish government. Computational resources were provided by HPC infrastructure of the University of Antwerp (CalcUA) a division of the Flemish Supercomputer Center (VSC). ; Approved Most recent IF: 3.836; 2015 IF: 3.736  
  Call Number UA @ lucian @ c:irua:127753 Serial 4148  
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Author Nozaki, T.; Neyts, E.C.; Sankaran, M.; Ostrikov, K.(K.); Liu, C.-J. pdf  doi
openurl 
  Title Plasmas for enhanced catalytic processes (ISPCEM 2014) Type Editorial
  Year (down) 2015 Publication Catalysis today Abbreviated Journal Catal Today  
  Volume 256 Issue 256 Pages 1-2  
  Keywords Editorial; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Amsterdam Editor  
  Language Wos 000360085300001 Publication Date 2015-08-21  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0920-5861; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 4.636 Times cited 2 Open Access  
  Notes Approved Most recent IF: 4.636; 2015 IF: 3.893  
  Call Number c:irua:127407 Serial 2641  
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Author Sahin, H. url  doi
openurl 
  Title Structural and phononic characteristics of nitrogenated holey graphene Type A1 Journal article
  Year (down) 2015 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 92 Issue 92 Pages 085421  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Recent experimental studies showed that formation of a two-dimensional crystal structure of nitrogenated holey graphene (NHG) is possible. Similar to graphene, NHGs have an atomically thin and strong crystal structure. Using first-principles calculations, we investigate the structural, phononic, and thermal properties of monolayer NHG crystal. Our charge analysis reveals that the charged holey sites of NHG provide a reactive ground for further functionalization by adatoms or molecules. We also found that similar to graphene, the NHG structure has quite high-frequency phonon modes and the presence of nitrogen atoms leads to the emergence of additional vibrational modes. Our phonon analysis reveals the presence of three characteristic Raman-active modes of NHG. Furthermore, the analysis of constant-volume heat capacity showed that the NHG structure has a linear temperature dependence in the low-temperature region. The strong lattice structure and unique thermal properties of the NHG crystal structure are desirable in nanoscale device applications.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Lancaster, Pa Editor  
  Language Wos 000359860700007 Publication Date 2015-08-19  
  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 49 Open Access  
  Notes ; 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: 3.836; 2015 IF: 3.736  
  Call Number UA @ lucian @ c:irua:127755 Serial 4252  
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Author Aierken, Y.; Çakır, D.; Sevik, C.; Peeters, F.M. url  doi
openurl 
  Title Thermal properties of black and blue phosphorenes from a first-principles quasiharmonic approach Type A1 Journal article
  Year (down) 2015 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 92 Issue 92 Pages 081408  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Different allotropes of phosphorene are possible of which black and blue phosphorus are the most stable. While blue phosphorus has isotropic properties, black phosphorus is strongly anisotropic in its electronic and optical properties due to its anisotropic crystal structure. In this work, we systematically investigated the lattice thermal properties of black and blue phosphorene by using first-principles calculations based on the quasiharmonic approximation approach. Similar to the optoelectronic and electronic properties, we predict that black phosphorene has highly anisotropic thermal properties, in contrast to the blue phase. The linear thermal expansion coefficients along the zigzag and armchair direction differ up to 20% in black phosphorene. The armchair direction of black phosphorene is more expandable as compared to the zigzag direction and the biaxial expansion of blue phosphorene under finite temperature. Our comparative analysis reveals that the inclusion of finite-temperature effects makes the blue phase thermodynamically more stable over the black phase above 135 K.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000359860700005 Publication Date 2015-08-19  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1098-0121 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.836 Times cited 124 Open Access  
  Notes This work was supported by the Flemish Science Founda- tion (FWO-Vl) and the Methusalem foundation of the Flem- ish government. Computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Comput- ing 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. C.S. acknowledges the support from Anadolu University (BAP-1407F335), and Turkish Academy of Sciences (TUBA-GEBIP). Approved Most recent IF: 3.836; 2015 IF: 3.736  
  Call Number c:irua:127754 Serial 4034  
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Author van Laer, K.; Bogaerts, A. pdf  doi
openurl 
  Title Improving the Conversion and Energy Efficiency of Carbon Dioxide Splitting in a Zirconia-Packed Dielectric Barrier Discharge Reactor Type A1 Journal article
  Year (down) 2015 Publication Energy technology Abbreviated Journal Energy Technol-Ger  
  Volume 3 Issue 3 Pages 1038-1044  
  Keywords A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract The use of plasma technology for CO2 splitting is gaining increasing interest, but one of the major obstacles to date for industrial implementation is the considerable energy cost. We demonstrate that the introduction of a packing of dielectric zirconia (ZrO2) beads into a dielectric barrier discharge (DBD) plasma reactor can enhance the CO2 conversion and energy efficiency up to a factor 1.9 and 2.2, respectively, compared to that in a normal (unpacked) DBD reactor. We obtained a maximum conversion of 42 % and a maximum energy efficiency of 9.6 %. However, it is the ability of the packing to almost double both the conversion and the energy efficiency simultaneously at certain input parameters that makes it very promising. The improved conversion and energy efficiency can be explained by the higher values of the local electric field and electron energy near the contact points of the beads and the lower breakdown voltage, demonstrated by 2 D fluid modeling.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000362913600006 Publication Date 2015-08-19  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2194-4288 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.789 Times cited 59 Open Access  
  Notes This research was carried out in the framework of the network on Physical Chemistry of Plasma-Surface Interactions—Interuniversity Attraction Poles, phase VII (http://psiiap7.ulb.ac.be/), and supported by the Belgian Science Policy Office (BELSPO). K.V.L. is indebted to the Institute for the Promotion of Innovation by Science and Technology in Flanders (IWT Flanders) for financial support Approved Most recent IF: 2.789; 2015 IF: 2.824  
  Call Number c:irua:128224 Serial 3992  
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Author Gorle, C.; Garcia Sánchez, C.; Iaccarino, G. pdf  doi
openurl 
  Title Quantifying inflow and RANS turbulence model form uncertainties for wind engineering flows Type A1 Journal article
  Year (down) 2015 Publication Journal of wind engineering and industrial aerodynamics T2 – 6th International Symposium on Computational Wind Engineering (CWE), JUN 08-12, 2014, Hamburg, GERMANY Abbreviated Journal J Wind Eng Ind Aerod  
  Volume 144 Issue 144 Pages 202-212  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract Reynolds-averaged Navier-Stokes (RANS) simulations are often used in the wind engineering practice for the analysis of turbulent bluff body flows. An approach that allows identifying the uncertainty related to the use of reduced-order turbulence models in RANS simulations would significantly increase the confidence in the use of simulation results as a basis for design decisions. In the present study we apply a strategy that enables quantifying these uncertainties by introducing perturbations in the Reynolds stress tensor to simulations of the flow in downtown Oklahoma City. The method is combined with a framework to quantify uncertainties in the inflow wind direction and intensity, and the final result of the UQ approach is compared to field measurement data for the velocity at 13 locations in the downtown area. (C) 2015 Elsevier Ltd. All rights reserved.  
  Address  
  Corporate Author Thesis  
  Publisher Elsevier science bv Place of Publication Amsterdam Editor  
  Language Wos 000360874900023 Publication Date 2015-08-18  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0167-6105 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.049 Times cited 22 Open Access  
  Notes Approved Most recent IF: 2.049; 2015 IF: 1.414  
  Call Number UA @ lucian @ c:irua:127843 Serial 4230  
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Author Moldovan, D.; Peeters, F.M. pdf  url
doi  openurl
  Title Strain engineering of the electronic properties of bilayer graphene quantum dots: Strain engineering of the electronic properties of bilayer graphene quantum dots Type A1 Journal article
  Year (down) 2015 Publication Physica status solidi: rapid research letters Abbreviated Journal Phys Status Solidi-R  
  Volume 10 Issue 10 Pages 39-45  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract We study the effect of mechanical deformations on the elec- tronic properties of hexagonal flakes of bilayer graphene. The behavior of electrons induced by triaxial strain can be de- scribed by an effective pseudo-magnetic field which is homo- geneous in the center of the flake. We find that in-plane strain, applied to both layers equally, can break the layer symmetry leading to different behavior in the top and bottom layers of graphene. At low energy, just one of the layers feels

the pseudo-magnetic field: the zero-energy pseudo-Landau level is missing in the second layer, thus creating a gap be- tween the lowest non-zero levels. While the layer asymmetry is most significant at zero energy, interaction with the edges of the flake extends the effect to higher pseudo-Landau lev- els. The behavior of the top and bottom layers may be re- versed by rotating the triaxial strain by 60°.
 
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000368814500005 Publication Date 2015-08-18  
  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 9 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-Vl) and the Methusalem Funding of the Flemish Government. Approved Most recent IF: 3.032; 2015 IF: 2.142  
  Call Number c:irua:129592 Serial 3970  
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