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Author Yao, X.; Amin-Ahmadi, B.; Li, Y.; Cao, S.; Ma, X.; Zhang, X.-P.; Schryvers, D.
Title (down) Optimization of Automated Crystal Orientation Mapping in a TEM for Ni4Ti3 Precipitation in All-Round SMA Type A1 Journal article
Year 2016 Publication Shape memory and superelasticity Abbreviated Journal Shap Mem Superelasticity
Volume 2 Issue 2 Pages 286-297
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Automated crystal orientation and phase mapping in TEM are applied to the quantification of Ni4Ti3 precipitates in Ni–Ti shape memory alloys which will be used for the implantation of artificial sphincters operating using the all-round shape memory effect. This paper focuses on the optimization process of the technique to obtain best values for all major parameters in the acquisition of electron diffraction patterns as well as template generation. With the obtained settings, vast statistical data on nano- and microstructures essential to the operation of these shape memory devices become available.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000408743700001 Publication Date 2016-11-07
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2199-384X ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited 2 Open Access
Notes X. Yao gratefully acknowledges the Chinese Scholarship Council (CSC) for providing a PhD scholarship. Research support was also provided by the Key Project of the Natural Science Foundation of Guangdong Province (S2013020012805) and the Natural Science Foundation of China under Grant No. 51401081. Approved Most recent IF: NA
Call Number EMAT @ emat @ c:irua:138600 Serial 4324
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Author Misseeuw, L.; Krajewska, A.; Pasternak, I.; Ciuk, T.; Strupinski, W.; Reekmans, G.; Adriaensens, P.; Geldof, D.; Geldof, D.; Van Vlierberghe, S.; Thienpont, H.; Dubruelf, P.; Vermeulen, N.
Title (down) Optical-quality controllable wet-chemical doping of graphene through a uniform, transparent and low-roughness F4-TCNQ/MEK layer Type A1 Journal article
Year 2016 Publication RSC advances Abbreviated Journal
Volume Issue 106 Pages 104491-104501
Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Abstract Controllable chemical doping of graphene has already proven very useful for electronic applications, but when turning to optical and photonic applications, the additional requirement of having both a high transparency and a low surface roughness has, to our knowledge, not yet been fulfilled by any chemical dopant system reported so far. In this work, a new method that meets for the first time this opticalquality requirement while also providing efficient, controllable doping is presented. The method relies on F4-TCNQ dissolved in methyl ethyl ketone (MEK) yielding a uniform deposition after spin coating because of an extraordinary charge transfer interaction between the F4-TCNQ and MEK molecules. The formed F4-TCNQ/MEK layer exhibits a very high surface quality and optical transparency over the visible-infrared wavelength range between 550 and 1900 nm. By varying the dopant concentration of F4-TCNQ from 2.5 to 40 mg ml1 MEK, the doping effect can be controlled between Dn ¼ +5.73 1012 cm2 and +1.09 1013 cm2 for initially strongly p-type hydrogen-intercalated graphene grown on 6Hsilicon- carbide substrates, and between Dn ¼ +5.56 1012 cm2 and +1.04 1013 cm2 for initially weakly p-type graphene transferred on silicon samples. This is the first time that truly optical-quality chemical doping of graphene is demonstrated, and the obtained doping values exceed those reported before for F4-TCNQ-based graphene doping by as much as 50%.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000388111900075 Publication Date 2016-10-27
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2046-2069 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited Open Access
Notes Approved no
Call Number UA @ admin @ c:irua:136405 Serial 8335
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Author Torun, E.; Sahin, H.; Peeters, F.M.
Title (down) Optical properties of GaS-Ca(OH)2 bilayer heterostructure Type A1 Journal article
Year 2016 Publication Physical review B Abbreviated Journal Phys Rev B
Volume 93 Issue 93 Pages 075111
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Finding novel atomically thin heterostructures and understanding their characteristic properties are critical for developing better nanoscale optoelectronic devices. In this study, we investigate the electronic and optical properties of a GaS-Ca(OH)(2) heterostructure using first-principle calculations. The band gap of the GaS-Ca(OH)(2) heterostructure is significantly reduced when compared to those of the isolated constituent layers. Our calculations showthat the GaS-Ca(OH)(2) heterostructure is a type-II heterojunction which can be used to separate photoinduced charge carriers where electrons are localized in GaS and holes in the Ca(OH)(2) layer. This leads to spatially indirect excitons which are important for solar energy and optoelectronic applications due to their long lifetime. By solving the Bethe-Salpeter equation on top of a single shot GW calculation (G(0)W(0)), the dielectric function and optical oscillator strength of the constituent monolayers and the heterostructure are obtained. The oscillator strength of the optical transition for the GaS monolayer is an order of magnitude larger than the Ca(OH)(2) monolayer. We also found that the calculated optical spectra of different stacking types of the heterostructure show dissimilarities, although their electronic structures are rather similar. This prediction can be used to determine the stacking type of ultrathin heterostructures.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000369401000001 Publication Date 2016-02-06
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2469-9950;2469-9969; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.836 Times cited 18 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 long Marie Curie Fellowship. ; Approved Most recent IF: 3.836
Call Number UA @ lucian @ c:irua:131614 Serial 4220
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Author Filez, M.; Redekop, E.A.; Poelman, H.; Galvita, V.V.; Meledina, M.; Turner, S.; Van Tendeloo, G.; Detavernier, C.; Marin, G.B.
Title (down) One-pot synthesis of Pt catalysts based on layered double hydroxides: an application in propane dehydrogenation Type A1 Journal article
Year 2016 Publication Catalysis science & technology Abbreviated Journal Catal Sci Technol
Volume 6 Issue 6 Pages 1863-1869
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Simple methods for producing noble metal catalysts with well-defined active sites and improved performance are highly desired in the chemical industry. However, the development of such methods still presents a formidable synthetic challenge. Here, we demonstrate a one-pot synthesis route for the controlled production of bimetallic Pt–In catalysts based on the single-step formation of Mg,Al,Pt,In-containing layered double hydroxides (LDHs). Besides their simple synthesis, these Pt–In catalysts exhibit superior propane dehydrogenation activity compared to their multi-step synthesized analogs. The presented material serves as a showcase for the one-pot synthesis of a broader class of LDH-derived mono- and multimetallic Pt catalysts. The compositional flexibility provided by LDH materials can pave the way towards highperforming Pt-based catalysts with tunable physicochemical properties.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000372172800031 Publication Date 2015-10-23
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2044-4753 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 5.773 Times cited 12 Open Access
Notes This work was supported by the Fund for Scientific Research Flanders (FWO: G.0209.11), the ‘Long Term Structural Methusalem Funding by the Flemish Government’, the IAP 7/05 Interuniversity Attraction Poles Programme – Belgian State – Belgian Science Policy, and the Fund for Scientific Research Flanders (FWO-Vlaanderen) by supplying financing of beam time at the DUBBLE beamline of the ESRF and travel costs and a post-doctoral fellowship for S. T. The authors acknowledge the assistance from the DUBBLE (XAS campaign 26-01-979) and SuperXAS staff (Proposal 20131191). E. A. Redekop acknowledges the Marie Curie International Incoming Fellowship granted by the European Commission (Grant Agreement No. 301703). The authors also express their gratitude to O. Janssens for performing ex situ XRD characterization. Approved Most recent IF: 5.773
Call Number c:irua:133167 Serial 4057
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Author Fatima; Oguz, I.C.; Çakir, D.; Hossain, S.; Mohottige, R.; Gulseren, O.; Oncel, N.
Title (down) On the structural and electronic properties of Ir-silicide nanowires on Si(001) surface Type A1 Journal article
Year 2016 Publication Journal of applied physics Abbreviated Journal J Appl Phys
Volume 120 Issue 120 Pages 095303
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Iridium (Ir) modified Silicon (Si) (001) surface is studied with Scanning Tunneling Microscopy/Spectroscopy (STM/STS) and Density Functional Theory (DFT). A model for Ir-silicide nanowires based on STM images and ab-initio calculations is proposed. According to our model, the Ir adatom is on the top of the substrate dimer row and directly binds to the dimer atoms. I-V curves measured at 77K shows that the nanowires are metallic. DFT calculations confirm strong metallic nature of the nanowires. Published by AIP Publishing.
Address
Corporate Author Thesis
Publisher American Institute of Physics Place of Publication New York, N.Y. Editor
Language Wos 000383978100030 Publication Date 2016-09-01
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 7 Open Access
Notes ; We gratefully acknowledge the NSF (Grant No. DMR-1306101) for financial support. 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. ; Approved Most recent IF: 2.068
Call Number UA @ lucian @ c:irua:137132 Serial 4359
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Author Dhayalan, S.K.; Kujala, J.; Slotte, J.; Pourtois, G.; Simoen, E.; Rosseel, E.; Hikavyy, A.; Shimura, Y.; Iacovo, S.; Stesmans, A.; Loo, R.; Vandervorst, W.;
Title (down) On the manifestation of phosphorus-vacancy complexes in epitaxial Si:P films Type A1 Journal article
Year 2016 Publication Applied physics letters Abbreviated Journal Appl Phys Lett
Volume 108 Issue 108 Pages 082106
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract In situ doped epitaxial Si: P films with P concentrations > 1 x 10(21) at./cm(3) are suitable for source-drain stressors of n-FinFETs. These films combine the advantages of high conductivity derived from the high P doping with the creation of tensile strain in the Si channel. It has been suggested that the tensile strain developed in the Si: P films is due to the presence of local Si3P4 clusters, which however do not contribute to the electrical conductivity. During laser annealing, the Si3P4 clusters are expected to disperse resulting in an increased conductivity while the strain reduces slightly. However, the existence of Si3P4 is not proven. Based on first-principles simulations, we demonstrate that the formation of vacancy centered Si3P4 clusters, in the form of four P atoms bonded to a Si vacancy, is thermodynamically favorable at such high P concentrations. We suggest that during post epi-growth annealing, a fraction of the P atoms from these clusters are activated, while the remaining part goes into interstitial sites, thereby reducing strain. We corroborate our conjecture experimentally using positron annihilation spectroscopy, electron spin resonance, and Rutherford backscattering ion channeling studies. (C) 2016 AIP Publishing LLC.
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Corporate Author Thesis
Publisher American Institute of Physics Place of Publication New York, N.Y. Editor
Language Wos 000373057000023 Publication Date 2016-02-24
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 9 Open Access
Notes Approved Most recent IF: 3.411
Call Number UA @ lucian @ c:irua:133245 Serial 4217
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Author Topalovic, D.B.; Arsoski, V.V.; Pavlovic, S.; Cukaric, N.A.; Tadic, M.Z.; Peeters, F.M.
Title (down) On improving accuracy of finite-element solutions of the effective-mass Schrodinger equation for interdiffused quantum wells and quantum wires Type A1 Journal article
Year 2016 Publication Communications in theoretical physics Abbreviated Journal Commun Theor Phys
Volume 65 Issue 1 Pages 105-113
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract We use the Galerkin approach and the finite-element method to numerically solve the effective-mass Schrodinger equation. The accuracy of the solution is explored as it varies with the range of the numerical domain. The model potentials are those of interdiffused semiconductor quantum wells and axially symmetric quantum wires. Also, the model of a linear harmonic oscillator is considered for comparison reasons. It is demonstrated that the absolute error of the electron ground state energy level exhibits a minimum at a certain domain range, which is thus considered to be optimal. This range is found to depend on the number of mesh nodes N approximately as alpha(0) log(e)(alpha 1) (alpha N-2), where the values of the constants alpha(0), alpha(1), and alpha(2) are determined by fitting the numerical data. And the optimal range is found to be a weak function of the diffusion length. Moreover, it was demonstrated that a domain range adaptation to the optimal value leads to substantial improvement of accuracy of the solution of the Schrodinger equation.
Address
Corporate Author Thesis
Publisher Place of Publication Wallingford Editor
Language Wos Publication Date
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0253-6102; 1572-9494 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 0.989 Times cited Open Access
Notes Approved Most recent IF: 0.989
Call Number UA @ lucian @ c:irua:133213 Serial 4216
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Author Juchtmans, R.
Title (down) Novel applications of vortex beams and spiral phase plates in transmission electron microscopy Type Doctoral thesis
Year 2016 Publication Abbreviated Journal
Volume Issue Pages
Keywords Doctoral thesis; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Antwerpen Editor
Language Wos Publication Date
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN ISBN Additional Links UA library record
Impact Factor Times cited Open Access
Notes Approved Most recent IF: NA
Call Number UA @ lucian @ c:irua:135836 Serial 4394
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Author Verreck, D.; Verhulst, A.S.; Sorée, B.; Collaert, N.; Mocuta, A.; Thean, A.; Groeseneken, G.
Title (down) Non-uniform strain in lattice-mismatched heterostructure tunnel field-effect transistors Type P1 Proceeding
Year 2016 Publication Solid-State Device Research (ESSDERC), European Conference T2 – 46th European Solid-State Device Research Conference (ESSDERC) / 42nd, European Solid-State Circuits Conference (ESSCIRC), SEP 12-15, 2016, Lausanne, SWITZERLAND Abbreviated Journal
Volume Issue Pages 412-415
Keywords P1 Proceeding; Condensed Matter Theory (CMT)
Abstract Because of its localized impact on the band structure, non-uniform strain at the heterojunction between lattice-mismatched materials has the potential to significantly enlarge the design space for tunnel-field effect transistors (TFET). However, the impact of a complex strain profile on TFET performance is difficult to predict. We have therefore developed a 2D quantum mechanical transport formalism capable of simulating the effects of a general non-uniform strain. We demonstrate the formalism for the GaAsxSb(1-x)/InyGa(1-y) As system and show that a performance improvement over a lattice-matched reference is indeed possible, allowing for relaxed requirements on the source doping. We also point out that the added design parameter of mismatch is not free, but limited by the desired effective bandgap at the tunnel junction.
Address
Corporate Author Thesis
Publisher Ieee Place of Publication New york Editor
Language Wos Publication Date
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 978-1-5090-2969-3 ISBN Additional Links UA library record; WoS full record
Impact Factor Times cited Open Access
Notes Approved Most recent IF: NA
Call Number UA @ lucian @ c:irua:138233 Serial 4358
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Author Janssens, K.; van der Snickt, G.; Vanmeert, F.; Legrand, S.; Nuyts, G.; Alfeld, M.; Monico, L.; Anaf, W.; de Nolf, W.; Vermeulen, M.; Verbeeck, J.; De Wael, K.
Title (down) Non-invasive and non-destructive examination of artistic pigments, paints, and paintings by means of X-Ray methods Type A1 Journal article
Year 2016 Publication Topics in Current Chemistry Abbreviated Journal Topics Curr Chem
Volume 374 Issue 374 Pages 81
Keywords A1 Journal article; Electron microscopy for materials research (EMAT); AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Abstract Recent studies are concisely reviewed, in which X-ray beams of (sub)micrometre to millimetre dimensions have been used for non-destructive analysis and characterization of pigments, minute paint samples, and/or entire paintings from the seventeenth to the early twentieth century painters. The overview presented encompasses the use of laboratory and synchrotron radiation-based instrumentation and deals with the use of several variants of X-ray fluorescence (XRF) as a method of elemental analysis and imaging, as well as with the combined use of X-ray diffraction (XRD) and X-ray absorption spectroscopy (XAS). Microscopic XRF is a variant of the method that is well suited to visualize the elemental distribution of key elements, mostly metals, present in paint multi-layers, on the length scale from 1 to 100 μm inside micro-samples taken from paintings. In the context of the characterization of artists pigments subjected to natural degradation, the use of methods limited to elemental analysis or imaging usually is not sufficient to elucidate the chemical transformations that have taken place. However, at synchrotron facilities, combinations of μ-XRF with related methods such as μ-XAS and μ-XRD have proven themselves to be very suitable for such studies. Their use is often combined with microscopic Fourier transform infra-red spectroscopy and/or Raman microscopy since these methods deliver complementary information of high molecular specificity at more or less the same length scale as the X-ray microprobe techniques. Since microscopic investigation of a relatively limited number of minute paint samples, taken from a given work of art, may not yield representative information about the entire artefact, several methods for macroscopic, non-invasive imaging have recently been developed. Those based on XRF scanning and full-field hyperspectral imaging appear very promising; some recent published results are discussed.
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Corporate Author Thesis
Publisher Springer international publishing ag Place of Publication Cham Editor
Language Wos 000391178900006 Publication Date 2016-11-21
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2365-0869;2364-8961; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.033 Times cited 50 Open Access
Notes ; ; Approved Most recent IF: 4.033
Call Number UA @ lucian @ c:irua:139930UA @ admin @ c:irua:139930 Serial 4443
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Author Yagmurcukardes, M.; Horzum, S.; Torun, E.; Peeters, F.M.; Senger, R.T.
Title (down) Nitrogenated, phosphorated and arsenicated monolayer holey graphenes Type A1 Journal article
Year 2016 Publication Physical chemistry, chemical physics Abbreviated Journal Phys Chem Chem Phys
Volume 18 Issue 18 Pages 3144-3150
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Motivated by a recent experiment that reported the synthesis of a new 2D material nitrogenated holey graphene (C2N) [Mahmood et al., Nat. Commun., 2015, 6, 6486], the electronic, magnetic, and mechanical properties of nitrogenated (C2N), phosphorated (C2P) and arsenicated (C2As) monolayer holey graphene structures are investigated using first-principles calculations. Our total energy calculations indicate that, similar to the C2N monolayer, the formation of the other two holey structures are also energetically feasible. Calculated cohesive energies for each monolayer show a decreasing trend going from the C2N to C2As structure. Remarkably, all the holey monolayers considered are direct band gap semiconductors. Regarding the mechanical properties (in-plane stiffness and Poisson ratio), we find that C2N has the highest in-plane stiffness and the largest Poisson ratio among the three monolayers. In addition, our calculations reveal that for the C2N, C2P and C2As monolayers, creation of N and P defects changes the semiconducting behavior to a metallic ground state while the inclusion of double H impurities in all holey structures results in magnetic ground states. As an alternative to the experimentally synthesized C2N, C2P and C2As are mechanically stable and flexible semiconductors which are important for potential applications in optoelectronics.
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Corporate Author Thesis
Publisher Place of Publication Cambridge Editor
Language Wos 000369506000095 Publication Date 2015-12-22
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1463-9076 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.123 Times cited 36 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). ; Approved Most recent IF: 4.123
Call Number UA @ lucian @ c:irua:132313 Serial 4214
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Author Coppens, J.; Lindeboom, R.; Muys, M.; Coessens, W.; Alloul, A.; Meerbergen, K.; Lievens, B.; Clauwaert, P.; Boon, N.; Vlaeminck, S.E.
Title (down) Nitrification and microalgae cultivation for two-stage biological nutrient valorization from source separated urine Type A1 Journal article
Year 2016 Publication Bioresource technology Abbreviated Journal
Volume 211 Issue Pages 41-50
Keywords A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
Abstract Urine contains the majority of nutrients in urban wastewaters and is an ideal nutrient recovery target. In this study, stabilization of real undiluted urine through nitrification and subsequent microalgae cultivation were explored as strategy for biological nutrient recovery. A nitrifying inoculum screening revealed a commercial aquaculture inoculum to have the highest halotolerance. This inoculum was compared with municipal activated sludge for the start-up of two nitrification membrane bioreactors. Complete nitrification of undiluted urine was achieved in both systems at a conductivity of 75 mS cm−1 and loading rate above 450 mg N L−1 d−1. The halotolerant inoculum shortened the start-up time with 54%. Nitrite oxidizers showed faster salt adaptation and Nitrobacter spp. became the dominant nitrite oxidizers. Nitrified urine as growth medium for Arthrospira platensis demonstrated superior growth compared to untreated urine and resulted in a high protein content of 62%. This two-stage strategy is therefore a promising approach for biological nutrient recovery.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000375186700006 Publication Date 2016-03-06
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0960-8524 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:139913 Serial 8307
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Author Kim, E.; Spooren, J.; Broos, K.; Nielsen, P.; Horckmans, L.; Vrancken, K.C.; Quaghebeur, M.
Title (down) New method for selective Cr recovery from stainless steel slag by NaOCl assisted alkaline leaching and consecutive BaCrO4 precipitation Type A1 Journal article
Year 2016 Publication Chemical engineering journal Abbreviated Journal
Volume 295 Issue Pages 542-551
Keywords A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL)
Abstract A new hydrometallurgical method was investigated for selective leaching of chromium from stainless steel slag (SS slag) consisting of temperature controlled extraction with NaOH in the presence of NaOCl, followed by water leaching. After parameter optimization of the NaOCl-NaOH extraction step, a selective Cr leaching of 68% was reached, while dissolution of matrix materials was low (Al 0.3%, Ca 2.0%, Si 0.4%). The optimum conditions for the investigated system are: 105 degrees C, 6 h, SS slag particle size <63 mu m, mass ratio of NaOH to SS slag 0.13, and 3.3 mmol NaOCl to 1 g SS slag. The described oxidative alkaline leaching process by hypochlorite enables selective recovery of Cr at a significantly lower temperature and required amount of alkaline agent than molten salt or alkaline roasting processes. BaCrO4 was precipitated to purify and concentrate Cr from the leachate in which also minor amounts of Mn and V were present. This method allowed for a 99.9% Cr recovery rate. The obtained leaching residue shows no alterations of the SS slag's mineralogy with respect to untreated material. Therefore, a known carbonation treatment of the slag can be applied to prepare novel construction materials with a lowered Cr content. (C) 2016 Elsevier B.V. All rights reserved.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000375507300059 Publication Date 2016-03-22
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1385-8947; 1873-3212 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited Open Access
Notes Approved no
Call Number UA @ admin @ c:irua:133632 Serial 8302
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Author Walter, A.L.; Sahin, H.; Kang, J.; Jeon, K.J.; Bostwick, A.; Horzum, S.; Moreschini, L.; Chang, Y.J.; Peeters, F.M.; Horn, K.; Rotenberg, E.;
Title (down) New family of graphene-based organic semiconductors : an investigation of photon-induced electronic structure manipulation in half-fluorinated graphene Type A1 Journal article
Year 2016 Publication Physical review B Abbreviated Journal Phys Rev B
Volume 93 Issue 93 Pages 075439
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract The application of graphene to electronic and optoelectronic devices is limited by the absence of reliable semiconducting variants of this material. A promising candidate in this respect is graphene oxide, with a band gap on the order of similar to 5 eV, however, this has a finite density of states at the Fermi level. Here, we examine the electronic structure of three variants of half-fluorinated carbon on Sic(0001), i.e., the (6 root 3 x 6 root 3) R30 degrees C/SiC “buffer layer,” graphene on this (6 root 3 x 6 root 3) R30 degrees C/SiC buffer layer, and graphene decoupled from the SiC substrate by hydrogen intercalation. Using angle-resolved photoemission, core level photoemission, and x-ray absorption, we show that the electronic, chemical, and physical structure of all three variants is remarkably similar, exhibiting a large band gap and a vanishing density of states at the Fermi level. These results are explained in terms of first-principles calculations. This material thus appears very suitable for applications, even more so since it is prepared on a processing-friendly substrate. We also investigate two separate UV photon-induced modifications of the electronic structure that transform the insulating samples (6.2-eV band gap) into semiconducting (similar to 2.5-eV band gap) and metallic regions, respectively.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000371398000007 Publication Date 2016-02-29
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2469-9950;2469-9969; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.836 Times cited 5 Open Access
Notes ; The Advanced Light Source is supported by the Director, Office of Science, Office of Basic Energy Sciences, of the US Department of Energy under Contract No. DE-AC02-05CH11231. Work in Erlangen was supported by the DFG through SPP 1459 “Graphene” and SFB 953 “Synthetic Carbon Allotropes” and by the ESF through the EURO-Graphene project GraphicRF. A.L.W. acknowledges support from the Max-Planck-Gesellschaft, the Donostia International Physics Centre, and the Centro de Fisica de Materiales in San Sebastian, Spain, and Brookhaven National Laboratory under US Department of Energy, Office of Science, Office of Basic Energy Sciences, Contract No. DE-SC0012704. 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-Long Marie Curie Fellowship, and J.K. by a FWO Pegasus-Short Marie Curie Fellowship. Y.J.C. acknowledges support from the National Research Foundation of Korea under Grant No. NRF-2014R1A1A1002868. The authors gratefully acknowledge the work of T. Seyller's group at the Institut fur Physik, Technische Universitat Chemnitz, Germany for providing the samples. ; Approved Most recent IF: 3.836
Call Number UA @ lucian @ c:irua:132352 Serial 4213
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Author Callini, E.; Aguey-Zinsou, K.F.; Ahuja, R.; Ares, J.R.; Bals, S.; Biliškov, N.; Chakraborty, S.; Charalambopoulou, G.; Chaudhary, A.L.; Cuevas, F.; Dam, B.; de Jongh, P.; Dornheim, M.; Filinchuk, Y.; Grbović Novaković, J.; Hirscher, M.; Jensen, T.R.; Jensen, P.B.; Novaković, N.; Lai, Q.; Leardini, F.; Gattia, D.M.; Pasquini, L.; Steriotis, T.; Turner, S.; Vegge, T.; Züttel, A.; Montone, A.
Title (down) Nanostructured materials for solid-state hydrogen storage : a review of the achievement of COST Action MP1103 Type A1 Journal article
Year 2016 Publication International journal of hydrogen energy T2 – E-MRS Fall Meeting / Symposium C on Hydrogen Storage in Solids -, Materials, Systems and Aplication Trends, SEP 15-18, 2015, Warsaw, POLAND Abbreviated Journal Int J Hydrogen Energ
Volume 41 Issue 41 Pages 14404-14428
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract In the framework of the European Cooperation in Science and Technology (COST) Action MP1103 Nanostructured Materials for Solid-State Hydrogen Storage were synthesized, characterized and modeled. This Action dealt with the state of the art of energy storage and set up a competitive and coordinated network capable to define new and unexplored ways for Solid State Hydrogen Storage by innovative and interdisciplinary research within the European Research Area. An important number of new compounds have been synthesized: metal hydrides, complex hydrides, metal halide ammines and amidoboranes. Tuning the structure from bulk to thin film, nanoparticles and nanoconfined composites improved the hydrogen sorption properties and opened the perspective to new technological applications. Direct imaging of the hydrogenation reactions and in situ measurements under operando conditions have been carried out in these studies. Computational screening methods allowed the prediction of suitable compounds for hydrogen storage and the modeling of the hydrogen sorption reactions on mono-, bi-, and three-dimensional systems. This manuscript presents a review of the main achievements of this Action. (C) 2016 Hydrogen Energy Publications LLC. Published by Elsevier Ltd. All rights reserved.
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Corporate Author Thesis
Publisher Pergamon-elsevier science ltd Place of Publication Oxford Editor
Language Wos 000381950800051 Publication Date 2016-05-08
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0360-3199 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.582 Times cited 89 Open Access Not_Open_Access
Notes All the authors greatly thank the COST Action MP1103 for financial support. Approved Most recent IF: 3.582
Call Number UA @ lucian @ c:irua:135723 Serial 4307
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Author Bertoni, G.; Fabbri, F.; Villani, M.; Lazzarini, L.; Turner, S.; Van Tendeloo, G.; Calestani, D.; Gradečak, S.; Zappettini, A.; Salviati, G.
Title (down) Nanoscale mapping of plasmon and exciton in ZnO tetrapods coupled with Au nanoparticles Type A1 Journal article
Year 2016 Publication Scientific reports Abbreviated Journal Sci Rep-Uk
Volume 6 Issue 6 Pages 19168
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract Metallic nanoparticles can be used to enhance optical absorption or emission in semiconductors, thanks to a strong interaction of collective excitations of free charges (plasmons) with electromagnetic fields. Herein we present the direct imaging at the nanoscale of plasmon-exciton coupling in Au/ZnO nanostructures by combining scanning transmission electron energy loss and cathodoluminescence spectroscopy and mapping. The Au nanoparticles (~30 nm in diameter) are grown in-situ on ZnO nanotetrapods by means of a photochemical process without the need of binding agents or capping molecules. This results in clean interfaces, enabling to prove the occurrence of the plasmon-exciton coupling and the straightforward mapping of its spatial localization. Interestingly, the Au plasmon resonance is localized at the Au/vacuum interface, rather than presenting an isotropic distribution around the nanoparticle. On the contrary, a strong localization of the ZnO excitons, has been observed inside the Au nanoparticle, revealing the existence of the plasmon-exciton coupling, as also confirmed by numerical simulations.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000368111900001 Publication Date 2016-01-12
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 15 Open Access
Notes The research leading to these results has received funding from the European Union FP7 Grant Agreement n. 265073 ITN-Nanowiring, and FP7 Grant Agreement n. 312483 ESTEEM2 for Integrated Infrastructure Initiative – I3. S.T. gratefully acknowledges the FWO Vlaanderen. G.V.T. acknowledges the European Research Council (ERC grant N°246791 – COUNTATOMS). The authors thank Alessandra Catellani and Arrigo Calzolari for helpful discussions.; Esteem2_jra3 Approved Most recent IF: 4.259
Call Number c:irua:130406 c:irua:130406 Serial 3999
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Author Yagmurcukardes, M.; Peeters, F.M.; Senger, R.T.; Sahin, H.
Title (down) Nanoribbons: From fundamentals to state-of-the-art applications Type A1 Journal article
Year 2016 Publication Applied physics reviews Abbreviated Journal Appl Phys Rev
Volume 3 Issue 3 Pages 041302
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Atomically thin nanoribbons (NRs) have been at the forefront of materials science and nanoelectronics in recent years. State-of-the-art research on nanoscale materials has revealed that electronic, magnetic, phononic, and optical properties may differ dramatically when their one-dimensional forms are synthesized. The present article aims to review the recent advances in synthesis techniques and theoretical studies on NRs. The structure of the review is organized as follows: After a brief introduction to low dimensional materials, we review different experimental techniques for the synthesis of graphene nanoribbons (GNRs) with their advantages and disadvantages. In addition, theoretical investigations on width and edge-shape-dependent electronic and magnetic properties, functionalization effects, and quantum transport properties of GNRs are reviewed. We then devote time to the NRs of the transition metal dichalcogenides (TMDs) family. First, various synthesis techniques, E-field-tunable electronic and magnetic properties, and edge-dependent thermoelectric performance of NRs of MoS2 and WS2 are discussed. Then, strongly anisotropic properties, growth-dependent morphology, and the weakly width-dependent bandgap of ReS2 NRs are summarized. Next we discuss TMDs having a T-phase morphology such as TiSe2 and stable single layer NRs of mono-chalcogenides. Strong edge-type dependence on characteristics of GaS NRs, width-dependent Seebeck coefficient of SnSe NRs, and experimental analysis on the stability of ZnSe NRs are reviewed. We then focus on the most recently emerging NRs belonging to the class of transition metal trichalcogenides which provide ultra-high electron mobility and highly anisotropic quasi-1D properties. In addition, width-, edge-shape-, and functionalization-dependent electronic and mechanical properties of blackphosphorus, a monoatomic anisotropic material, and studies on NRs of group IV elements (silicene, germanene, and stanene) are reviewed. Observation of substrate-independent quantum well states, edge and width dependent properties, the topological phase of silicene NRs are reviewed. In addition, H-2 concentration-dependent transport properties and anisotropic dielectric function of GeNRs and electric field and strain sensitive I-V characteristics of SnNRs are reviewed. We review both experimental and theoretical studies on the NRs of group III-V compounds. While defect and N-termination dependent conductance are highlighted for boron nitride NRs, aluminum nitride NRs are of importance due to their dangling bond, electric field, and strain dependent electronic and magnetic properties. Finally, superlattice structure of NRs of GaN/AlN, Si/Ge, G/BN, and MoS2/WS2 is reviewed. Published by AIP Publishing.
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Corporate Author Thesis
Publisher Amer inst physics Place of Publication Melville Editor
Language Wos 000390443800013 Publication Date 2016-11-14
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1931-9401 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 13.667 Times cited 63 Open Access
Notes ; Computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure). H.S. acknowledges the support from Bilim Akademisi-The Science Academy, Turkey under the BAGEP program. R.T.S. acknowledges the support from TUBITAK through Project No. 114F397. F.M.P. was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem program. ; Approved Most recent IF: 13.667
Call Number UA @ lucian @ c:irua:140299 Serial 4457
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Author Ghorbanfekr-Kalashami, H.; Neek-Amal, M.; Peeters, F.M.
Title (down) N-doped graphene : polarization effects and structural properties Type A1 Journal article
Year 2016 Publication Physical review B Abbreviated Journal Phys Rev B
Volume 93 Issue 93 Pages 174112
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract The structural and mechanical properties of N-doped graphene (NG) are investigated using reactive force field (ReaxFF) potentials in large-scale molecular dynamics simulations. We found that ripples, which are induced by the dopants, change the roughness of NG, which depends on the number of dopants and their local arrangement. For any doping ratio N/C, the NG becomes ferroelectric with a net dipole moment. The formation energy increases nonlinearly with N/C ratio, while the Young's modulus, tensile strength, and intrinsic strain decrease with the number of dopants. Our results for the structural deformation and the thermoelectricity of the NG sheet are in good agreement with recent experiments and ab initio calculations.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000376245900002 Publication Date 2016-05-20
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2469-9950;2469-9969; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.836 Times cited 15 Open Access
Notes ; This work was supported by the ESF-Eurographene project CONGRAN, and the Flemish Science Foundation (FWO-Vl). ; Approved Most recent IF: 3.836
Call Number UA @ lucian @ c:irua:134148 Serial 4212
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Author Kamaraj, B.; Purohit, R.
Title (down) Mutational Analysis on Membrane Associated Transporter Protein (MATP) and Their Structural Consequences in Oculocutaeous Albinism Type 4 (OCA4)A Molecular Dynamics Approach Type A1 Journal article
Year 2016 Publication Journal of cellular biochemistry Abbreviated Journal J Cell Biochem
Volume 117 Issue 11 Pages 2608-2619
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication New York, N.Y. Editor
Language Wos 000383626800017 Publication Date 2016-03-28
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0730-2312 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.085 Times cited 28 Open Access
Notes Approved Most recent IF: 3.085
Call Number UA @ lucian @ c:irua:144634 Serial 4671
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Author Gong, X.; Marmy, P.; Volodin, A.; Amin-Ahmadi, B.; Qin, L.; Schryvers, D.; Gavrilov, S.; Stergar, E.; Verlinden, B.; Wevers, M.; Seefeldt, M.
Title (down) Multiscale investigation of quasi-brittle fracture characteristics in a 9Cr–1Mo ferritic–martensitic steel embrittled by liquid lead–bismuth under low cycle fatigue Type A1 Journal article
Year 2016 Publication Corrosion science Abbreviated Journal
Volume 102 Issue 102 Pages 137-152
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract Liquid metal embrittlement (LME) induced quasi-brittle fracture characteristics of a 9Cr–1Mo ferritic–martensitic steel (T91) after fatigue cracking in lead–bismuth eutectic (LBE) have been investigated at various length scales. The results show that the LME fracture morphology is primarily characterized by quasi-brittle translath flat regions partially covered by nanodimples, shallow secondary cracks propagating along the martensitic lath boundaries as well as tear ridges covered by micro dimples. These diverse LME fracture features likely indicate a LME mechanism involving multiple physical processes, such as weakening induced interatomic decohesion at the crack tip and plastic shearing induced nano/micro voiding in the plastic zone.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000367275700014 Publication Date 2015-10-22
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0010938X ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited 16 Open Access
Notes The work is financially supported by the MYRRHA project,SCK•CEN, Belgium and partly funded by the European AtomicEnergy Community’s (Euratom) Seventh Framework ProgrammeFP7/2007-2013 under grant agreement No. 604862 (MatISSEproject) and in the framework of the EERA (European EnergyResearch Alliance) Joint Programme on Nuclear Materials. Dr. TomVan der Donck (KU Leuven) is acknowledged for the EBSD mea-surements. The authors are grateful to Dr. Van Renterghem Wouter(SCK•CEN) for fruitful discussion of the TEM results. Xing Gongsincerely acknowledges valuable suggestions from Dr. S.P. Lynch(Defence Science and Technology Organisation and Monash Uni-versity, Melbourne, Australia). Approved Most recent IF: NA
Call Number c:irua:129997 Serial 4013
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Author Heyne, M.H.; Chiappe, D.; Meersschaut, J.; Nuytten, T.; Conard, T.; Bender, H.; Huyghebaert, C.; Radu, I.P.; Caymax, M.; de Marneffe, J.F.; Neyts, E.C.; De Gendt, S.;
Title (down) Multilayer MoS2 growth by metal and metal oxide sulfurization Type A1 Journal article
Year 2016 Publication Journal of materials chemistry C : materials for optical and electronic devices Abbreviated Journal J Mater Chem C
Volume 4 Issue 4 Pages 1295-1304
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract We investigated the deposition of MoS2 multilayers on large area substrates. The pre-deposition of metal or metal oxide with subsequent sulfurization is a promising technique to achieve layered films. We distinguish a different reaction behavior in metal oxide and metallic films and investigate the effect of the temperature, the H2S/H-2 gas mixture composition, and the role of the underlying substrate on the material quality. The results of the experiments suggest a MoS2 growth mechanism consisting of two subsequent process steps. At first, the reaction of the sulfur precursor with the metal or metal oxide occurs, requiring higher temperatures in the case of metallic film compared to metal oxide. At this stage, the basal planes assemble towards the diffusion direction of the reaction educts and products. After the sulfurization reaction, the material recrystallizes and the basal planes rearrange parallel to the substrate to minimize the surface energy. Therefore, substrates with low roughness show basal plane assembly parallel to the substrate. These results indicate that the substrate character has a significant impact on the assembly of low dimensional MoS2 films.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000370723300020 Publication Date 2016-01-05
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2050-7526; 2050-7534 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 5.256 Times cited Open Access
Notes Approved Most recent IF: 5.256
Call Number UA @ lucian @ c:irua:132327 Serial 4211
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Author Fernández Becerra, V.; Milošević, M.V.
Title (down) Multichiral ground states in mesoscopic p-wave superconductors Type A1 Journal article
Year 2016 Publication Physical review B Abbreviated Journal Phys Rev B
Volume 94 Issue 94 Pages 184517
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Using Ginzburg-Landau formalism, we investigate the effect of confinement on the ground state of mesoscopic chiral p-wave superconductors in the absence of magnetic field. We reveal stable multichiral states with domain walls separating the regions with different chiralities, as well as monochiral states with spontaneous currents flowing along the edges. We show that multichiral states can exhibit identifying signatures in the spatial profile of the magnetic field if those are not screened by edge currents in the case of strong confinement. Such magnetic detection of domain walls in topological superconductors can serve as long-sought evidence of broken time-reversal symmetry. Furthermore, when applying electric current to mesoscopic p-wave samples, we found a hysteretic behavior in the current-voltage characteristic that distinguishes states with and without domain walls, thereby providing another useful hallmark for indirect confirmation of chiral p-wave superconductivity.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000388816700001 Publication Date 2016-11-30
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2469-9950;2469-9969; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.836 Times cited 7 Open Access
Notes ; This work was supported by the Research Foundation-Flanders (FWO-Vlaanderen), the COST-EU action MP1201, and the MultiSuper network. ; Approved Most recent IF: 3.836
Call Number UA @ lucian @ c:irua:139241 Serial 4456
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Author Bogaerts, A.; Khosravian, N.; Van der Paal, J.; Verlackt, C.C.W.; Yusupov, M.; Kamaraj, B.; Neyts, E.C.
Title (down) Multi-level molecular modelling for plasma medicine Type A1 Journal article
Year 2016 Publication Journal of physics: D: applied physics Abbreviated Journal J Phys D Appl Phys
Volume 49 Issue 49 Pages 054002
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract Modelling at the molecular or atomic scale can be very useful for obtaining a better insight in plasma medicine. This paper gives an overview of different atomic/molecular scale modelling approaches that can be used to study the direct interaction of plasma species with biomolecules or the consequences of these interactions for the biomolecules on a somewhat longer time-scale. These approaches include density functional theory (DFT), density functional based tight binding (DFTB), classical reactive and non-reactive molecular dynamics (MD) and united-atom or coarse-grained MD, as well as hybrid quantum mechanics/molecular mechanics (QM/MM) methods. Specific examples will be given for three important types of biomolecules, present in human cells, i.e. proteins, DNA and phospholipids found in the cell membrane. The results show that each of these modelling approaches has its specific strengths and limitations, and is particularly useful for certain applications. A multi-level approach is therefore most suitable for obtaining a global picture of the plasma–biomolecule interactions.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000368944100003 Publication Date 2015-12-16
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0022-3727 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.588 Times cited 11 Open Access
Notes This work is financially supported by the Fund for Scientific Research Flanders (FWO) and the Francqui Foundation. The calculations were carried out in part using the Turing HPC infrastructure of 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. Approved Most recent IF: 2.588
Call Number c:irua:131571 Serial 3985
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Author Bogaerts, A.; Khosravian, N.; Van der Paal, J.; Verlackt, C.C.W.; Yusupov, M.; Kamaraj, B.; Neyts, E.C.
Title (down) Multi-level molecular modelling for plasma medicine Type A1 Journal article
Year 2016 Publication Journal Of Physics D-Applied Physics Abbreviated Journal J Phys D Appl Phys
Volume 49 Issue 5 Pages 054002-54019
Keywords A1 Journal article; Plasma, laser ablation and surface modeling – Antwerp (PLASMANT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication London Editor
Language Wos Publication Date 0000-00-00
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0022-3727 ISBN Additional Links UA library record
Impact Factor 2.588 Times cited Open Access
Notes Approved Most recent IF: 2.588
Call Number UA @ lucian @ c:irua:129798 Serial 4467
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Author Sóti, V.; Jacquet, N.; Apers, S.; Richel, A.; Lenaerts, S.; Cornet, I.
Title (down) Monitoring the laccase reaction of vanillin and poplar hydrolysate Type A1 Journal article
Year 2016 Publication Journal of chemical technology and biotechnology Abbreviated Journal J Chem Technol Biot
Volume 91 Issue 6 Pages 1914-1922
Keywords A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL); Biochemical Wastewater Valorization & Engineering (BioWaVE)
Abstract BACKGROUND Laccase is an intensively researched enzyme for industrial use. Except for decolorisation measurements, HPLC analysis is the conventional method for monitoring the phenolic removal during laccase enzyme reaction. This paper reports an investigation of the continuous UV absorbance follow-up of the laccase reaction with steam pretreated poplar hydrolysate. RESULTS Vanillin was used as a model substrate and lignocellulose xylose rich fraction (XRF) as a biologically complex substrate for laccase detoxification. The reaction was followed by HPLC-UV as well as by UV spectrometric measurements. Results suggest that the reaction can be successfully monitored by measuring the change of UV absorbance at 280 nm, without previous compound separation. In case of XRF experiments the spectrophotometric follow-up is especially useful, as HPLC analysis takes a long time and provides less information than in case of single substrates. The method seems to be suitable for optimization and process control. CONCLUSION The obtained results can help to construct a fast, easy and straightforward monitoring system for laccase-phenolic substrate reactions.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000375768300040 Publication Date 2015-07-29
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0268-2575; 1097-4660 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.135 Times cited 3 Open Access
Notes ; This research is financed by the University of Antwerp (project number 15 FA100 002). ; Approved Most recent IF: 3.135
Call Number UA @ admin @ c:irua:127694 Serial 5972
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Author 't Hart, L.; Storme, P.; Anaf, W.; Nuyts, G.; Vanmeert, F.; Dorriné, W.; Janssens, K.; De Wael, K.; Schalm, O.
Title (down) Monitoring the impact of the indoor air quality on silver cultural heritage objects using passive and continuous corrosion rate assessments Type A1 Journal article
Year 2016 Publication Applied physics A : materials science & processing Abbreviated Journal Appl Phys A-Mater
Volume 122 Issue 10 Pages 923-10
Keywords A1 Journal article; Engineering sciences. Technology; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Antwerp Cultural Heritage Sciences (ARCHES)
Abstract There is a long tradition in evaluating industrial atmospheres by measuring the corrosion rate of exposed metal coupons. The heritage community also uses this method, but the interpretation of the corrosion rate often lacks clarity due to the low corrosivity in indoor museum environments. This investigation explores the possibilities and drawbacks of different silver corrosion rate assessments. The corrosion rate is determined by three approaches: (1) chemical characterization of metal coupons using analytical techniques such as electrochemical measurements, SEM-EDX, XRD, and µ-Raman spectroscopy, (2) continuous corrosion monitoring methods based on electrical resistivity loss of a corroding nm-sized metal wire and weight gain of a corroding silver coated quartz crystal, and (3) characterization of the visual degradation of the metal coupons. This study confirms that subtle differences in corrosivity between locations inside a museum can be determined on condition that the same corrosion rate assessment is used. However, the impact of the coupon orientation with respect to the prevailing direction of air circulation can be substantially larger than the impact of the coupon location.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000384753800053 Publication Date 2016-09-28
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 3 Open Access
Notes ; This research has been sponsored by the Belgian Federal Public Planning Service Science Policy (BELSPO) under Project Number BR/132/A6/AIRCHECQ. In this project an innovative monitoring kit is developed that continuously and simultaneously measures both environmental parameters and material behaviour, enabling the study of the cause-effect relationships. The Quanta 250 FEG microscope at the University of Antwerp was funded by the Hercules foundation of the Flemish Government. ; Approved Most recent IF: 1.455
Call Number UA @ admin @ c:irua:135511 Serial 5733
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Author Schouteden, K.; Li, Z.; Chen, T.; Song, F.; Partoens, B.; Van Haesendonck, C.; Park, K.
Title (down) Moire superlattices at the topological insulator Bi2Te3 Type A1 Journal article
Year 2016 Publication Scientific reports Abbreviated Journal Sci Rep-Uk
Volume 6 Issue 6 Pages 20278
Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
Abstract We report on the observation of complex superlattices at the surface of the topological insulator Bi2Te3. Scanning tunneling microscopy reveals the existence of two different periodic structures in addition to the Bi2Te3 atomic lattice, which is found to strongly affect the local electronic structure. These three different periodicities are interpreted to result from a single small in-plane rotation of the topmost quintuple layer only. Density functional theory calculations support the observed increase in the DOS near the Fermi level, and exclude the possibility that strain is at the origin of the observed Moire pattern. Exploration of Moire superlattices formed by the quintuple layers of topological insulators holds great potential for further tuning of the properties of topological insulators.
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Corporate Author Thesis
Publisher Nature Publishing Group Place of Publication London Editor
Language Wos 000369543200001 Publication Date 2016-02-08
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 14 Open Access
Notes ; The research in Leuven and Antwerp has been supported by the Research Foundation – Flanders (FWO, Belgium). The research in Leuven received additional support from the Flemish Concerted Research Action program (BOF KU Leuven, Project No. GOA/14/007). Z.L. thanks the China Scholarship Council for financial support (No. 2011624021). K.S. acknowledges support from the FWO. K.P. was supported by U.S. National Science Foundation DMR-1206354 and San Diego Supercomputer Center (SDSC) Trestles under DMR060009N. T.C. and F.S. acknowledge the financial support of the National Key Projects for Basic Research of China (Grant Nos: 2013CB922103), the National Natural Science Foundation of China (Grant Nos: 91421109, 11522432), the PAPD project, and the Natural Science Foundation of Jiangsu Province (Grant BK20130054). ; Approved Most recent IF: 4.259
Call Number UA @ lucian @ c:irua:131612 Serial 4208
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Author Grieten, E.
Title (down) Modifications to the nano-texture of old photographs & daguerreotypes by degradation and atmospheric plasma treatment Type Doctoral thesis
Year 2016 Publication Abbreviated Journal
Volume Issue Pages
Keywords Doctoral thesis; Art; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Universiteit Antwerpen, Faculteit Ontwerpwetenschappen, Opleiding Conservatie-Restauratie Place of Publication Antwerpen Editor
Language Wos Publication Date
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN ISBN Additional Links UA library record
Impact Factor Times cited Open Access
Notes Approved Most recent IF: NA
Call Number UA @ lucian @ c:irua:135932 Serial 4393
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Author Fenu, A.
Title (down) Modelling and operations of municipal membrane bioreactors : from conventional to novel applications Type Doctoral thesis
Year 2016 Publication Abbreviated Journal
Volume Issue Pages 180 p.
Keywords Doctoral thesis; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos Publication Date
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN ISBN 978-90-5728-504-2 Additional Links UA library record
Impact Factor Times cited Open Access
Notes Approved no
Call Number UA @ admin @ c:irua:157025 Serial 8266
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Author Bogaerts, A.; Wang, W.; Berthelot, A.; Guerra, V.
Title (down) Modeling plasma-based CO2conversion: crucial role of the dissociation cross section Type A1 Journal article
Year 2016 Publication Plasma sources science and technology Abbreviated Journal Plasma Sources Sci T
Volume 25 Issue 25 Pages 055016
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract Plasma-based CO2 conversion is gaining increasing interest worldwide. A large research effort is devoted to improving the energy efficiency. For this purpose, it is very important to understand the underlying mechanisms of the CO2 conversion. The latter can be obtained by computer modeling, describing in detail the behavior of the various plasma species and all relevant chemical processes. However, the accuracy of the modeling results critically depends on the accuracy of the assumed input data, like cross sections. This is especially true for the cross section of electron impact dissociation, as the latter process is believed

to proceed through electron impact excitation, but it is not clear from the literature which excitation channels effectively lead to dissociation. Therefore, the present paper discusses the effect of different electron impact dissociation cross sections reported in the literature on the calculated CO2 conversion, for a dielectric barrier discharge (DBD) and a microwave (MW) plasma. Comparison is made to experimental data for the DBD case, to elucidate which cross section might be the most realistic. This comparison reveals that the cross sections proposed

by Itikawa and by Polak and Slovetsky both seem to underestimate the CO2 conversion. The cross sections recommended by Phelps with thresholds of 7 eV and 10.5 eV yield a CO2 conversion only slightly lower than the experimental data, but the sum of both cross sections overestimates the values, indicating that these cross sections represent dissociation, but most probably also include other (pure excitation) channels. Our calculations indicate that the choice of the electron impact dissociation cross section is crucial for the DBD, where this process is the dominant mechanism for CO2 conversion. In the MW plasma, it is only significant at pressures up to 100 mbar, while it is of minor importance for higher pressures, when dissociation proceeds mainly through collisions of CO2 with heavy particles.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000384030600001 Publication Date 2016-08-31
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1361-6595 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.302 Times cited 57 Open Access
Notes The authors would like to thank R Snoeckx and S Heijkers for the interesting discussions. This research was supported by the European Union’s Seventh Framework Programme for research, technological development and demonstration under grant agreement no. 606889, the European Marie Skłodowska-Curie Individual Fellowship project ‘GlidArc’ within Horizon2020, the FWO project (grant G.0383.16N), and the Network on Physical Chemistry of Plasma-Surface Interactions—Interuniversity Attraction Poles, phase VII (PSI-IAP7), supported by the Belgian Science Policy Office (BELSPO). The computational work was carried out using the Turing HPC infrastructure at the CalcUA core facility of the Universiteit Antwerpen (UA), a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government (department EWI) and the UA. VG was partially supported by the Portuguese FCT— Fundação para a Ci Approved Most recent IF: 3.302
Call Number c:irua:135070 Serial 4111
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