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Author Zha, G.-Q.; Covaci, L.; Peeters, F.M.; Zhou, S.-P.
Title Majorana zero-energy modes and spin current evolution in mesoscopic superconducting loop systems with spin-orbit interaction Type A1 Journal article
Year 2015 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume (up) 92 Issue 92 Pages 094516
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract The Majorana zero modes and persistent spin current in mesoscopic d-wave-superconducting loops with spin-orbit (SO) interaction are investigated by numerically solving the spin-generalized Bogoliubov-de Gennes equations self-consistently. For some appropriate strength of the SO coupling, Majorana zero-energy states and sharp jumps of the spin-polarized currents can be observed when the highest energy levels cross the Fermi energy in the spectrum, leading to spin currents with opposite chirality flowing near the inner and outer edges of the sample. When the threaded magnetic flux turns on, four flux-dependent patterns of the persistent spin current with step-like features show up, accompanied by Majorana edge modes at flux values where the energy gap closes. Moreover, the Majorana zero mode is highly influenced by the direction of the Zeeman field. A finite in-plane field can lead to the gap opening since the inversion symmetry is broken. Remarkably, multiple Majorana zero-energy states occur in the presence of an out-of-plane field h(z), and the number of steps in the spin current evolution can be effectively tuned by the field strength due to the shift of Majorana zero modes. Finally, when the loop sample contains surface indentation defects, zero-energy modes can always show up in the presence of an appropriate h(z). Interestingly, multiple Majorana states may be present in the system with a corner defect even if h(z) = 0.
Address
Corporate Author Thesis
Publisher Place of Publication Lancaster, Pa Editor
Language Wos 000362081000002 Publication Date 2015-09-30
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 11 Open Access
Notes ; This work was supported by National Natural Science Foundation of China under Grants No. 61371020, No. 61271163, and No. 61571277, by the Visiting Scholar Program of Shanghai Municipal Education Commission, and by the Flemish Science Foundation (FWO-Vl). ; Approved Most recent IF: 3.836; 2015 IF: 3.736
Call Number UA @ lucian @ c:irua:132467 Serial 4203
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Author Neek-Amal, M; Peeters, F.M.
Title Partially hydrogenated and fluorinated graphene : structure, roughness, and negative thermal expansion Type A1 Journal article
Year 2015 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume (up) 92 Issue 92 Pages 155430
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract The structural properties of partially hydrogenated and fluorinated graphene with different percentages of H/F atoms are investigated using molecular dynamics simulations based on reactive force field (ReaxFF) potentials. We found that the roughness of graphene varies with the percentage (p) of H or F and in both cases is maximal around p = 50%. Similar results were obtained for partially oxidized graphene. The two-dimensional area size of partially fluorinated and hydrogenated graphene exhibits a local minimum around p = 35% coverage. The lattice thermal contraction in partially functionalized graphene is found to be one order of magnitude larger than that of fully covered graphene. We also show that the armchair structure for graphene oxide (similar to the structure of fully hydrogenated and fluorinated graphene) is unstable. Our results show that the structure of partially functionalized graphene changes nontrivially with the C : H and C : F ratio as well as with temperature.
Address
Corporate Author Thesis
Publisher Place of Publication Lancaster, Pa Editor
Language Wos 000363294100005 Publication Date 2015-10-23
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1098-0121; 1550-235x ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.836 Times cited 5 Open Access
Notes ; This work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem Foundation of the Flemish Government. ; Approved Most recent IF: 3.836; 2015 IF: 3.736
Call Number UA @ lucian @ c:irua:129448 Serial 4221
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Author Brito, B.G.A.; Candido, L.; Hai, G.-Q.; Peeters, F.M.
Title Quantum effects in a free-standing graphene lattice : path-integral against classical Monte Carlo simulations Type A1 Journal article
Year 2015 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume (up) 92 Issue 92 Pages 195416
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract In order to study quantum effects in a two-dimensional crystal lattice of a free-standing monolayer graphene, we have performed both path-integral Monte Carlo (PIMC) and classical Monte Carlo (MC) simulations for temperatures up to 2000 K. The REBO potential is used for the interatomic interaction. The total energy, interatomic distance, root-mean-square displacement of the atom vibrations, and the free energy of the graphene layer are calculated. The obtained lattice vibrational energy per atom from the classical MC simulation is very close to the energy of a three-dimensional harmonic oscillator 3k(B)T. The PIMC simulation shows that quantum effects due to zero-point vibrations are significant for temperatures T < 1000 K. The quantum contribution to the lattice vibrational energy becomes larger than that of the classical lattice for T < 400 K. The lattice expansion due to the zero-point motion causes an increase of 0.53% in the lattice parameter. A minimum in the lattice parameter appears at T similar or equal to 500 K. Quantum effects on the atomic vibration amplitude of the graphene lattice and its free energy are investigated.
Address
Corporate Author Thesis
Publisher Place of Publication Lancaster, Pa Editor
Language Wos 000368095400004 Publication Date 2015-11-13
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 22 Open Access
Notes ; This research was supported by the Brazilian agencies FAPESP, FAPEG, and CNPq, the Flemish Science Foundation (FWO-Vl) and the Methusalem Foundation of the Flemish Government. ; Approved Most recent IF: 3.836; 2015 IF: 3.736
Call Number UA @ lucian @ c:irua:131144 Serial 4232
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Author Sobrino Fernandez, M.; Misko, V.R.; Peeters, F.M.
Title Self-assembly of Janus particles into helices with tunable pitch Type A1 Journal article
Year 2015 Publication Physical review : E : statistical, nonlinear, and soft matter physics Abbreviated Journal Phys Rev E
Volume (up) 92 Issue 92 Pages 042309
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Janus particles present an important class of building blocks for directional assembly. These are compartmentalized colloids with two different hemispheres. In this work we consider a three-dimensional model of Janus spheres that contain one hydrophobic and one charged hemisphere. Using molecular dynamics simulations, we study the morphology of these particles when confined in a channel-like environment. The interplay between the attractive and repulsive forces on each particle gives rise to a rich phase space where the relative orientation of each particle plays a dominant role in the formation of large-scale clusters. The interest in this system is primarily due to the fact that it could give a better understanding of the mechanisms of the formation of polar membranes. A variety of ordered membranelike morphologies is found consisting of single and multiple connected chain configurations. The helicity of these chains can be chosen by simply changing the salt concentration of the solution. Special attention is given to the formation of Bernal spirals. These helices are composed of regular tetrahedra and are known to exhibit nontrivial translational and rotational symmetry.
Address
Corporate Author Thesis
Publisher American Physical Society Place of Publication Melville, N.Y. Editor
Language Wos 000362903700004 Publication Date 2015-10-15
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1539-3755; 1550-2376 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.366 Times cited 18 Open Access
Notes ; This work was supported by the Fund for Scientific Research Flanders (FWO) and by the “Odysseus” program of the Flemish government and FWO. ; Approved Most recent IF: 2.366; 2015 IF: 2.288
Call Number UA @ lucian @ c:irua:129416 Serial 4241
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Author Çakir, D.; Sevik, C.; Peeters, F.M.
Title Significant effect of stacking on the electronic and optical properties of few-layer black phosphorus Type A1 Journal article
Year 2015 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume (up) 92 Issue 92 Pages 165406
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract The effect of the number of stacking layers and the type of stacking on the electronic and optical properties of bilayer and trilayer black phosphorus are investigated by using first-principles calculations within the framework of density functional theory. We find that inclusion of many-body effects (i.e., electron-electron and electron-hole interactions) modifies strongly both the electronic and optical properties of black phosphorus. While trilayer black phosphorus with a particular stacking type is found to be a metal by using semilocal functionals, it is predicted to have an electronic band gap of 0.82 eV when many-body effects are taken into account within the G(0)W(0) scheme. Though different stacking types result in similar energetics, the size of the band gap and the optical response of bilayer and trilayer phosphorene are very sensitive to the number of layers and the stacking type. Regardless of the number of layers and the type of stacking, bilayer and trilayer black phosphorus are direct band gap semiconductors whose band gaps vary within a range of 0.3 eV. Stacking arrangements that are different from the ground state structure in both bilayer and trilayer black phosphorus exhibit significant modified valence bands along the zigzag direction and result in larger hole effective masses. The optical gap of bilayer (trilayer) black phosphorus varies by 0.4 (0.6) eV when changing the stacking type. The calculated binding energy of the bound exciton hardly changes with the type of stacking and is found to be 0.44 (0.30) eV for bilayer (trilayer) phosphorous.
Address
Corporate Author Thesis
Publisher Place of Publication Lancaster, Pa Editor
Language Wos 000362435300005 Publication Date 2015-10-08
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1098-0121; 1550-235x ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.836 Times cited 127 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. C.S. acknowledges support from Turkish Academy of Sciences (TUBA-GEBIP). ; Approved Most recent IF: 3.836; 2015 IF: 3.736
Call Number UA @ lucian @ c:irua:128320 Serial 4242
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Author Missault, N.; Vasilopoulos, P.; Vargiamidis, V.; Peeters, F.M.; Van Duppen, B.
Title Spin- and valley-dependent transport through arrays of ferromagnetic silicene junctions Type A1 Journal article
Year 2015 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume (up) 92 Issue 92 Pages 195423
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract We study ballistic transport of Dirac fermions in silicene through arrays of barriers, of width d, in the presence of an exchange field M and a tunable potential of height U or depth-U. The spin-and valley-resolved conductances as functions of U or M, exhibit resonances away from the Dirac point (DP) and close to it a pronounced dip that becomes a gap when a critical electric field E-z is applied. This gap widens by increasing the number of barriers and can be used to realize electric field-controlled switching of the current. The spin p(s) and valley p(v) polarizations of the current near the DP increase with Ez or M and can reach 100% for certain of their values. These field ranges widen significantly by increasing the number of barriers. Also, ps and pv oscillate nearly periodically with the separation between barriers or wells and can be inverted by reversing M.
Address
Corporate Author Thesis
Publisher Place of Publication Lancaster, Pa Editor
Language Wos 000364998100006 Publication Date 2015-11-20
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 54 Open Access
Notes ; This work was supported by the Canadian NSERC Grant No. OGP0121756 (P.V.) and by the Flemish Science Foundation (FWO-Vl) with a Ph.D. research grant (B.V.D.). ; Approved Most recent IF: 3.836; 2015 IF: 3.736
Call Number UA @ lucian @ c:irua:130264 Serial 4247
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Author Sahin, H.
Title Structural and phononic characteristics of nitrogenated holey graphene Type A1 Journal article
Year 2015 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume (up) 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 Kang, J.; Sahin, H.; Ozaydin, H.D.; Senger, R.T.; Peeters, F.M.
Title TiS3 nanoribbons : width-independent band gap and strain-tunable electronic properties Type A1 Journal article
Year 2015 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume (up) 92 Issue 92 Pages 075413
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract The electronic properties, carrier mobility, and strain response of TiS3 nanoribbons (TiS3 NRs) are investigated by first-principles calculations. We found that the electronic properties of TiS3 NRs strongly depend on the edge type (a or b). All a-TiS3 NRs are metallic with a magnetic ground state, while b-TiS3 NRs are direct band gap semiconductors. Interestingly, the size of the band gap and the band edge position are almost independent of the ribbon width. This feature promises a constant band gap in a b-TiS3 NR with rough edges, where the ribbon width differs in different regions. The maximum carrier mobility of b-TiS3 NRs is calculated by using the deformation potential theory combined with the effective mass approximation and is found to be of the order 10(3) cm(2) V-1 s(-1). The hole mobility of the b-TiS3 NRs is one order of magnitude lower, but it is enhanced compared to the monolayer case due to the reduction in hole effective mass. The band gap and the band edge position of b-TiS3 NRs are quite sensitive to applied strain. In addition we investigate the termination of ribbon edges by hydrogen atoms. Upon edge passivation, the metallic and magnetic features of a-TiS3 NRs remain unchanged, while the band gap of b-TiS3 NRs is increased significantly. The robust metallic and ferromagnetic nature of a-TiS3 NRs is an essential feature for spintronic device applications. The direct, width-independent, and strain-tunable band gap, as well as the high carrier mobility, of b-TiS3 NRs is of potential importance in many fields of nanoelectronics, such as field-effect devices, optoelectronic applications, and strain sensors.
Address
Corporate Author Thesis
Publisher Place of Publication Lancaster, Pa Editor
Language Wos 000359344100014 Publication Date 2015-08-10
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 55 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, the High Performance and Grid Computing Center (TR-Grid e-Infrastructure), and the 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. is supported by a FWO Pegasus-Short Marie Curie Fellowship. H.S. and R.T.S. acknowledge support from TUBITAK through Project No. 114F397. ; Approved Most recent IF: 3.836; 2015 IF: 3.736
Call Number UA @ lucian @ c:irua:127760 Serial 4259
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Author Torun, E.; Sahin, H.; Bacaksiz, C.; Senger, R.T.; Peeters, F.M.
Title Tuning the magnetic anisotropy in single-layer crystal structures Type A1 Journal article
Year 2015 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume (up) 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 Cabana, L.; Ke, X.; Kepić, D.; Oro-Solé, J.; Tobías-Rossell, E.; Van Tendeloo, G.; Tobias, G.
Title The role of steam treatment on the structure, purity and length distribution of multi-walled carbon nanotubes Type A1 Journal article
Year 2015 Publication Carbon Abbreviated Journal Carbon
Volume (up) 93 Issue 93 Pages 1059-1067
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Purification and shortening of carbon nanotubes have attracted a great deal of attention to increase the biocompatibility and performance of the material in several applications. Steam treatment has been employed to afford both purification and shortening of multi-walled carbon nanotubes (MWCNTs). Steam removes the amorphous carbon and the graphitic particles that sheath catalytic nanoparticles, facilitating their removal by a subsequent acidic wash. The amount of metal impurities can be reduced in this manner below 0.01 wt.%. The length distribution of MWCNTs after different steam treatment times (from 1 h to 15 h) was assessed by box plot analysis of the electron microscopy data. Samples with a median length of 0.57 μm have been prepared with the reported methodology while preserving the integrity of the tubular wall structure.
Address
Corporate Author Thesis
Publisher Place of Publication Oxford Editor
Language Wos 000360292100108 Publication Date 2015-06-23
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0008-6223; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 6.337 Times cited 17 Open Access
Notes 312483 Esteem2; 290023 Raddel; esteem2_ta Approved Most recent IF: 6.337; 2015 IF: 6.196
Call Number c:irua:127691 c:irua:127691 Serial 2921
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Author Jochems, P.; Mueller, T.; Satyawali, Y.; Diels, L.; Dejonghe, W.; Hanefeld, U.
Title Active site titration of immobilized beta-galactosidase for the determination of active enzymes Type A1 Journal article
Year 2015 Publication Biochemical engineering journal Abbreviated Journal
Volume (up) 93 Issue Pages 137-141
Keywords A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
Abstract In the present study, an active site titration method is demonstrated, to determine the amount of active enzyme (beta-galactosidase), immobilized on a support. Two types of supports were investigated, viz, amino acrylic resin and a mixed matrix membrane. Furthermore, 2',4'-dinitrophenyl 2-deoxy-2-fluoro-beta-D-galactopyranoside was used as an inhibitor for the active site titration of immobilized beta-galactosidase obtained from Kluyveromyces lactis. Using the active site titration, approximately 8.3 mg of active enzyme was found on 1 g of dried commercially available SPRIN imibond, which is an amino acrylic resin with covalently bound beta-galactosidase obtained from K. lactis. However, this method, in its present form, was not effective on the mixed matrix membranes due to the irreversible partial adsorption of the leaving group (2',4'-dinitrophenolate) by the membrane. This observation implied that it is important to investigate interactions between the support and the used inhibitor and leaving group. (C) 2014 Elsevier B.V. All rights reserved.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000347362100018 Publication Date 2014-10-23
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1369-703x; 1873-295x 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:123763 Serial 7417
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Author Danthurebandara, M.; Van Passel, S.; Machiels, L.; Van Acker, K.
Title Valorization of thermal treatment residues in enhanced landfill mining : environmental and economic evaluation Type A1 Journal article
Year 2015 Publication Journal Of Cleaner Production Abbreviated Journal J Clean Prod
Volume (up) 99 Issue Pages 275-285
Keywords A1 Journal article; Economics; Engineering sciences. Technology; Engineering Management (ENM)
Abstract Enhanced Landfill Mining is an innovative concept which allows the recovery of land, re-introduction of materials to the material cycles and recovery of energy from a considerably large stock of resources held in landfills. Plasma gasification is a viable candidate for combined energy and material valorization in the framework of Enhanced landfill Mining. Besides energy production, plasma gasification also delivers an environmentally stable vitrified residue called plasmastone, which can be converted into building materials. This paper presents an environmental and economic evaluation of the valorization of thermal treatment residues (plasmastone) in the context of Enhanced Landfill Mining. The most common valorization route, that is, the treatment of plasmastone via production of aggregates, is compared with two other possible, higher added value applications, which are inorganic polymer production and blended cement production. The evaluation is based on life cycle assessment and life cycle costing. The study suggests that the environmental and economic performances of the valorization routes depend mainly on the quality and quantity of the final products produced from a certain amount of plasmastone. The materials with the greatest contribution to potential global warming and to the net present value of the valorization scenarios are the process input materials of sodium silicate, sodium hydroxide and cement. The study concludes that the plasmastone valorization via inorganic polymer production yields higher environmental benefits, while the blended cement production provides higher economic profits. Plasmastone valorization via aggregates production does not yield economic or environmental benefits. Given the trade-off between environmental and economic performances, we conclude that the decisions regarding the selection of appropriate valorization routes should be made cautiously to obtain optimal environmental benefits and economic profits. (C) 2015 Elsevier Ltd. All rights reserved.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000356195000023 Publication Date 2015-03-14
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0959-6526 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 5.715 Times cited 17 Open Access
Notes ; The authors would like to acknowledge the funding of this study by the IWT-O&O ELFM project 'Closing the Circle & Enhanced Landfill Mining as part of the Transition to Sustainable Materials Management' and the valuable discussions with Group Machiels (Belgium). ; Approved Most recent IF: 5.715; 2015 IF: 3.844
Call Number UA @ admin @ c:irua:127533 Serial 6276
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Author Pollefeyt, G.; Meledin, A.; Pop, C.; Ricart, S.; Hühne, R.; Van Tendeloo, G.; Van Driessche, I.
Title Chemical stability of YBiO3 buffer layers for implementation in YBa2Cu3O7-δ coated conductors Type A1 Journal article
Year 2015 Publication Acta materialia Abbreviated Journal Acta Mater
Volume (up) 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
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Author Odin, G.P.; Vanmeert, F.; Farges, F.; Gand, G.; Janssens, K.; Romero-Sarmiento, M.-F.; Steyer, J.S.; Vantelon, D.; Rouchon, V.
Title Alteration of fossil-bearing shale (Autun, France; Permian), part II : monitoring artificial and natural ageing by combined use of S and Ca K-edge XANES analysis, Rock-Eval pyrolysis and FTIR analysis Type A1 Journal article
Year 2015 Publication Annales de paléontologie Abbreviated Journal Ann Paleontol
Volume (up) 101 Issue 3 Pages 225-239
Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Abstract Fossil-bearing shale specimens that include sulfides in their compositions are chemically reactive and sometimes also mechanically fragile. This decay is often related to iron sulfate efflorescence resulting from the oxidation of sulfide compounds. The processes underlying these degradations are poorly known, thus impeding the elaboration of curative or preventive treatments. The present contribution aims to identify the origin of museum specimen alterations. It focuses on the Flouest collection housed at the Museum National d'Histoire Naturelle (MNHN, Paris, France) and originating from the Autun Basin (Saone-et-Loire, France, Permian). To evaluate the alteration of MNHN specimens, it appeared necessary to compare their composition with that of unaltered shale so as to identify chemical changes occurring during ageing. Therefore, new material was collected in the Autun Basin, among others on the locality of Muse that corresponds to the same lithostratigraphic unit as that of the MNHN specimens. This material was, if necessary, artificially aged. The first part of this work, presented elsewhere, deals with the use of Xray diffraction and Mossbauer spectroscopy for characterizing iron reactivity and speciation. It leads to the conclusion that the reactivity of iron in the shale matrix was limited and could not account for the large efflorescence of iron (II) sulfate occurring nearby the fossil. The second part presented here focuses on the use of S K-edge X-ray Absorption Near Edge Structure (XANES) spectroscopy for characterizing sulfur speciation and reactivity. Measurements were performed on the shale matrix and on thin layers of maceral found in the proximity of damaged areas. As sulfur may be found in association with calcium or organic matter, complementary techniques were implemented, such as FTIR spectroscopy, Rock-Eval pyrolysis (characterization of organic matter content) and Ca K-edge XANES (analysis of calcium speciation) spectroscopy. It was shown that sulfur is mainly related to thioether, sulfoxide, iron sulfide, and sulfates whereas calcium is mainly bound to carboxylate, carbonate and/or sulfate groups. FTIR analysis of the macerals confirmed the presence of vitrinite on damaged MNHN specimens. The low oxygen content of new shale samples determined by Rock-Eval pyrolysis indicates that the organic matter is well preserved, despite the fact that samples come from outcrop surface. In the newly collected material, sulfur is mainly related to organic sulfides (thioether) with a minor occurrence of iron sulfide. In the shale fraction of damaged MNHN specimens, sulfur is mostly oxidized into a mixture of iron and calcium sulfate. However, in the vitrinite layers of the same specimens, a large proportion of sulfur corresponds to organic sulfides. Also the oxidation of sulfur does not occur homogeneously but preferentially in the shale fraction, probably because this latter is porous whereas vitrinite is not. Artificial ageing of new shale material showed that the oxidation of organic sulfides could be reproduced at 90 degrees C, 80% of relative humidity. However, the obtained efflorescence almost exclusively corresponds to calcium sulfate whereas iron (II) sulfates are mostly observed on MNHN specimens. The new material collected on site is probably to be questioned, and future studies will have to select new samples with fossil remains. This will be the object of the third part of this work. (C) 2015 Elsevier Masson SAS. All rights reserved.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000363821700009 Publication Date 2015-05-09
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0753-3969 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.113 Times cited 6 Open Access
Notes ; This work was conducted within a PhD work that was supported by a doctoral school grant of the Museum national d'Histoire naturelle, Paris, France. We acknowledge SOLEIL for provision of synchrotron radiation facilities (Proposals ID “20130462” and “20110189”) and we would like to thank Nicolas Trcera, Pierre Lagarde and Anne Marie Flanck for assistance in using beamline LUCIA. ; Approved Most recent IF: 1.113; 2015 IF: 0.970
Call Number UA @ admin @ c:irua:129523 Serial 5462
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Author Beames, A.; Broekx, S.; Heijungs, R.; Lookman, R.; Boonen, K.; Van Geert, Y.; Dendoncker, K.; Seuntjens, P.
Title Accounting for land-use efficiency and temporal variations between brownfield remediation alternatives in life-cycle assessment Type A1 Journal article
Year 2015 Publication Journal of cleaner production Abbreviated Journal
Volume (up) 101 Issue Pages 109-117
Keywords A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL)
Abstract The latest life-cycle assessment methods account for land use, due to the production, use and disposal of products and services, in terms of ecosystem damage. The process of brownfield remediation converts otherwise idle urban space into productive space. The value to ecosystems in this context is of course limited since the brownfield site remains urban. When evaluating brownfield remediation technologies, the availability of space on-site is dependent on the duration of time required by the remediation technology to reach the remediation target. Remediation technology alternatives tend to vary largely in terms of duration. Comparative life-cycle assessments of remediation technologies, to date, present the large variations between alternatives in terms of remediation duration but do not translate this into an impact or parameter. The restored subsurface zone is often defined as a functional unit, when in fact the surface area is the resource restored by the remediation service. The economic benefits of making land resources available are particularly important considerations in the context of brownfield remediation. The research proposes an innovative impact assessment approach that allows land to be considered as a finite resource. The method is applied in a comparative life-cycle assessment of two potential remediation scenarios for an idle brownfield in the Brussels region of Belgium. The results show that there is a trade-off between greenhouse gas emissions and land availability and that both are largely dependent on the efficiency of the contaminant extraction mechanism. The results also raise the question as to whether the economic valuation of land, like precious metals and fossil fuels, provides an accurate reflection of the true value of the resource. Considering land as a resource at the midpoint level is also relevant in other urban contexts where competition exists between different land-uses, where urban sprawl is detrimental to undeveloped areas and where urban intensification is a policy objective. (C) 2015 Elsevier Ltd. All rights reserved.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000356988200010 Publication Date 2015-04-05
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0959-6526 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited Open Access
Notes Approved no
Call Number UA @ admin @ c:irua:127010 Serial 7412
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Author Tang, Y.; Chen, Z.; Borbely, A.; Ji, G.; Zhong, S.Y.; Schryvers, D.; Ji, V.; Wang, H.W.
Title Quantitative study of particle size distribution in an in-situ grown Al-TiB2 composite by synchrotron X-ray diffraction and electron microscopy Type A1 Journal article
Year 2015 Publication Materials characterization Abbreviated Journal Mater Charact
Volume (up) 102 Issue 102 Pages 131-136
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract Synchrotron X-ray diffraction and transmission electron microscopy (TEM) were applied to quantitatively characterize the average particle size and size distribution of free-standing TiB2 particles and TiB2 particles in an insitu grown Al–TiB2 composite. The detailed evaluations were carried out by X-ray line profile analysis using the restrictedmoment method and multiplewhole profile fitting procedure (MWP). Both numericalmethods indicate that the formed TiB2 particles are well crystallized and free of crystal defects. The average particle size determined from different Bragg reflections by the restricted moment method ranges between 25 and 55 nm, where the smallest particle size is determined using the 110 reflection suggesting the highest lateral-growth velocity of (110) facets. TheMWP method has shown that the in-situ grown TiB2 particles have a very low dislocation density (~1011 m−2) and their size distribution can be described by a log-normal distribution. Good agreement was found between the results obtained from the restricted moment and MWP methods, which was further confirmed by TEM.
Address
Corporate Author Thesis
Publisher Place of Publication New York Editor
Language Wos 000355335200017 Publication Date 2015-03-04
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1044-5803; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.714 Times cited 41 Open Access
Notes This work is financially supported by the National Natural Science Foundation of China (Grant No. 51201099 and No. 51301108) and the China Postdoctoral Science Foundation (Grant No. 2013T60443 and No. 2012M520891). The authors are grateful for the project 2013BB03 supported by NPL, CAEP. Many thanks are also due to the faculty of BL14B beamline at the Shanghai Synchrotron Radiation Facility for their help on synchrotron experiments. Approved Most recent IF: 2.714; 2015 IF: 1.845
Call Number c:irua:126443 Serial 2764
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Author Maheshi, D.; Van Passel, S.; Van Karel, A.
Title Environmental and economic assessment of 'open waste dump' mining in Sri Lanka Type A1 Journal article
Year 2015 Publication Resources Conservation And Recycling Abbreviated Journal Resour Conserv Recy
Volume (up) 102 Issue Pages 67-79
Keywords A1 Journal article; Engineering Management (ENM)
Abstract Open waste dumps in Sri Lanka generate adverse environmental and socio-economic impacts due to inadequate maintenance. In this study, a concept of 'open waste dump mining' is suggested in order to minimise the environmental and socio-economic impacts, together with resource recovery. A model based on life cycle assessment and life cycle costing has been used to assess the environmental and economic feasibility of the suggested open waste dump mining concept. Two scenarios have been defined for a hypothetical case, dependent on the destination of the refuse derived fuel fraction. Scenario 1 comprises direct selling of refuse derived fuel as an alternative fuel to replace coal usage in the cement industry, while Scenario 2 consists of thermal treatment of refuse derived fuel with the objective of producing electricity. The study shows that both scenarios are beneficial from an environmental point of view, but not from an economic view point. However, economic profits can be obtained by adjusting waste transport distances and the price of electricity. The environmental analysis further reveals that the higher global warming potential of open waste dumps can be eliminated to a large extent by applying suggested mining and waste valorisation scenarios. (C) 2015 Elsevier B.V. All rights reserved.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000362147800008 Publication Date 2015-07-24
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 3.313 Times cited 26 Open Access
Notes ; ; Approved Most recent IF: 3.313; 2015 IF: 2.564
Call Number UA @ admin @ c:irua:128753 Serial 6196
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Author Christis, M.; Geerken, T.; Vercalsteren, A.; Vrancken, K.C.M.
Title Value in sustainable materials management strategies for open economies case of Flanders (Belgium) Type A1 Journal article
Year 2015 Publication Resources, conservation and recycling Abbreviated Journal
Volume (up) 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 Dumpala, S.; Broderick, S.R.; Khalilov, U.; Neyts, E.C.; van Duin, A.C.T.; Provine, J.; Howe, R.T.; Rajan, K.
Title Integrated atomistic chemical imaging and reactive force field molecular dynamic simulations on silicon oxidation Type A1 Journal article
Year 2015 Publication Applied physics letters Abbreviated Journal Appl Phys Lett
Volume (up) 106 Issue 106 Pages 011602
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract In this paper, we quantitatively investigate with atom probe tomography, the effect of temperature on the interfacial transition layer suboxide species due to the thermal oxidation of silicon. The chemistry at the interface was measured with atomic scale resolution, and the changes in chemistry and intermixing at the interface were identified on a nanometer scale. We find an increase of suboxide (SiOx) concentration relative to SiO2 and increased oxygen ingress with elevated temperatures. Our experimental findings are in agreement with reactive force field molecular dynamics simulations. This work demonstrates the direct comparison between atom probe derived chemical profiles and atomistic-scale simulations for transitional interfacial layer of suboxides as a function of temperature.
Address
Corporate Author Thesis
Publisher American Institute of Physics Place of Publication New York, N.Y. Editor
Language Wos 000347976900008 Publication Date 2015-01-06
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 19 Open Access
Notes Approved Most recent IF: 3.411; 2015 IF: 3.302
Call Number c:irua:122300 Serial 1679
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Author Torun, E.; Sahin, H.; Singh, S.K.; Peeters, F.M.
Title Stable half-metallic monolayers of FeCl2 Type A1 Journal article
Year 2015 Publication Applied physics letters Abbreviated Journal Appl Phys Lett
Volume (up) 106 Issue 106 Pages 192404
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract The structural, electronic, and magnetic properties of single layers of Iron Dichloride (FeCl2) were calculated using first principles calculations. We found that the 1T phase of the single layer FeCl2 is 0.17 eV/unit cell more favorable than its 1H phase. The structural stability is confirmed by phonon calculations. We found that 1T-FeCl2 possess three Raman-active (130, 179, and 237 cm(-1)) and one infrared-active (279 cm(-1)) phonon branches. The electronic band dispersion of the 1T-FeCl2 is calculated using both gradient approximation of Perdew-Burke-Ernzerhof and DFT-HSE06 functionals. Both functionals reveal that the 1T-FeCl2 has a half-metallic ground state with a Curie temperature of 17 K. (C) 2015 AIP Publishing LLC.
Address
Corporate Author Thesis
Publisher American Institute of Physics Place of Publication New York, N.Y. Editor
Language Wos 000355008100020 Publication Date 2015-05-13
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 84 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. ; Approved Most recent IF: 3.411; 2015 IF: 3.302
Call Number c:irua:126411 Serial 3143
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Author Homm, P.; Dillemans, L.; Menghini, M.; Van Bilzen, B.; Bakalov, P.; Su, C.Y.; Lieten, R.; Houssa, M.; Nasr Esfahani, D.; Covaci, L.; Peeters, F.M.; Seo, J.W.; Locquet, J.P.;
Title Collapse of the low temperature insulating state in Cr-doped V2O3 thin films Type A1 Journal article
Year 2015 Publication Applied physics letters Abbreviated Journal Appl Phys Lett
Volume (up) 107 Issue 107 Pages 111904
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract We have grown epitaxial Cr-doped V2O3 thin films with Cr concentrations between 0% and 20% on (0001)-Al2O3 by oxygen-assisted molecular beam epitaxy. For the highly doped samples (>3%), a regular and monotonous increase of the resistance with decreasing temperature is measured. Strikingly, in the low doping samples (between 1% and 3%), a collapse of the insulating state is observed with a reduction of the low temperature resistivity by up to 5 orders of magnitude. A vacuum annealing at high temperature of the films recovers the low temperature insulating state for doping levels below 3% and increases the room temperature resistivity towards the values of Cr-doped V2O3 single crystals. It is well-know that oxygen excess stabilizes a metallic state in V2O3 single crystals. Hence, we propose that Cr doping promotes oxygen excess in our films during deposition, leading to the collapse of the low temperature insulating state at low Cr concentrations. These results suggest that slightly Cr-doped V2O3 films can be interesting candidates for field effect devices. (C) 2015 AIP Publishing LLC.
Address
Corporate Author Thesis
Publisher American Institute of Physics Place of Publication New York, N.Y. Editor
Language Wos 000361639200020 Publication Date 2015-09-19
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 14 Open Access
Notes ; The authors acknowledge financial support from the FWO Project No. G052010N10 as well as the EU-FP7 SITOGA Project. P.H. acknowledges support from Becas Chile-CONICYT. ; Approved Most recent IF: 3.411; 2015 IF: 3.302
Call Number UA @ lucian @ c:irua:128728 Serial 4149
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Author Zhang, L.-F.; Covaci, L.; Peeters, F.M.
Title Position-dependent effect of non-magnetic impurities on superconducting properties of nanowires Type A1 Journal article
Year 2015 Publication Europhysics letters Abbreviated Journal Epl-Europhys Lett
Volume (up) 109 Issue 109 Pages 17010
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Anderson's theorem states that non-magnetic impurities do not change the bulk properties of conventional superconductors. However, as the dimensionality is reduced, the effect of impurities becomes more significant. Here we investigate superconducting nanowires with diameter comparable to the Fermi wavelength $\lambda_F$ (which is less than the superconducting coherence length) by using a microscopic description based on the Bogoliubov-de Gennes method. We find that: 1) impurities strongly affect the superconducting properties, 2) the effect is impurity position dependent, and 3) it exhibits opposite behavior for resonant and off-resonant wire widths. We show that this is due to the interplay between the shape resonances of the order parameter and the subband energy spectrum induced by the lateral quantum confinement. These effects can be used to manipulate the Josephson current, filter electrons by subband and investigate the symmetries of the superconducting subband gaps.
Address
Corporate Author Thesis
Publisher Place of Publication Paris Editor
Language Wos 000348592100029 Publication Date 2015-01-21
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0295-5075 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.957 Times cited 7 Open Access
Notes ; This work was supported by the Flemish Science Foundation (FWO-Vlaanderen) and the Methusalem funding of the Flemish Government. ; Approved Most recent IF: 1.957; 2015 IF: 2.095
Call Number UA @ lucian @ c:irua:128424 Serial 4227
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Author Yan, L.; Tan, Z.; Ji, G.; Li, Z.; Fan, G.; Schryvers, D.; Shan, A.; Zhang, D.
Title A quantitative method to characterize the Al4C3-formed interfacial reaction: the case study of MWCNT/Al composites Type A1 Journal article
Year 2015 Publication Materials characterization Abbreviated Journal Mater Charact
Volume (up) 112 Issue 112 Pages 213-218
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract The Al4C3-formed interfacial reaction plays an important role in tuning the mechanical and thermal properties of carbon/aluminum (C/Al) composites reinforced with carbonaceous materials such as multi-wall carbon nanotube (MWCNT) and graphene nanosheet. In terms of the hydrolysis nature of Al4C3, an electrochemical dissolution method was developed to quantitatively characterize the extent of C/Al interfacial reaction, which involves dissolving the composite samples in alkaline solution first, then collecting and measuring the CH4 gas released by Al4C3 hydrolysis with a gas chromatograph. Through a case study with powder metallurgy fabricated 2.0 wt.% MWCNT/Al composites, the detectability limit of the proposed method is 0.4 wt.% Al4C3, corresponding to 5 % extent of interfacial reaction with a measurement error of ±3 %. And then, with the already known MWCNT/Al reaction extent vs different sintering temperature and time, the reaction kinetics with an activation energy of 281 kJ mol-1 was successfully derived. Therefore, this rapid, sensitive, accurate method supplies an useful tool to optimize the processing and properties of all kinds of C/Al composites via interface design/control.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000370109200026 Publication Date 2015-12-29
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1044-5803 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.714 Times cited 24 Open Access
Notes The authors would like to acknowledge the financial support of the National Basic Research Program of China (973 Program, No. 2012CB619600), the National High-Tech R&D Program (863 Program, No. 2012AA030611), the National Natural Science Foundation (Nos. 51071100, 51131004, 51401123, 51511130038) and the research grant (Nos. 14DZ2261200, 15JC1402100, 14520710100) from Shanghai government. Dr. Z.Q. Tan would also like to thank the project funded by the China Postdoctoral Science Foundation (No. 2014M561469). The research leading to these results has partially received funding from the European Union Seventh Framework Program under Grant Agreement 312483 – ESTEEM2 (Integrated Infrastructure Initiative – I3).; esteem2_jra2 Approved Most recent IF: 2.714; 2015 IF: 1.845
Call Number c:irua:130066 c:irua:130066 Serial 3997
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Author Anaf, W.; Schalm, O.; Janssens, K.; De Wael, K.
Title Understanding the (in)stability of semiconductor pigments by a thermodynamic approach Type A1 Journal article
Year 2015 Publication Dyes and pigments Abbreviated Journal Dyes Pigments
Volume (up) 113 Issue Pages 409-415
Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Antwerp Cultural Heritage Sciences (ARCHES)
Abstract Several artists pigments are semiconductors. Some of these materials appear stable over time, whereas others already show remarkable signs of degradation after limited time periods. The (in)stability of these pigments can be understood using a thermodynamic approach. For several pigment-related materials, the thermodynamic oxidation and reduction potential (ϕox and ϕred) were determined and evaluated considering the absolute energy positions of the valence and conduction band edges and the water redox potentials. The positions of ϕox and ϕred can be used in a fast screening of the stability of semiconductor pigments towards photoinduced corrosion in an aqueous/humid environment. This theoretical approach corresponds well with experimental data on pigment permanence and degradation phenomena found in literature.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000346543200052 Publication Date 2014-09-16
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0143-7208 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.473 Times cited 14 Open Access
Notes ; The authors acknowledge the funding from the Belspo S2-ART project (Belgian Federal Government) SD/RI/04A. ; Approved Most recent IF: 3.473; 2015 IF: 3.966
Call Number UA @ admin @ c:irua:118875 Serial 5885
Permanent link to this record
 
 
Author Garcia, J.H.; Covaci, L.; Rappoport, T.G.
Title Real-space calculation of the conductivity tensor for disordered topological matter Type A1 Journal article
Year 2015 Publication Physical review letters Abbreviated Journal Phys Rev Lett
Volume (up) 114 Issue 114 Pages 116602
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract We describe an efficient numerical approach to calculate the longitudinal and transverse Kubo conductivities of large systems using Bastin's formulation. We expand the Green's functions in terms of Chebyshev polynomials and compute the conductivity tensor for any temperature and chemical potential in a single step. To illustrate the power and generality of the approach, we calculate the conductivity tensor for the quantum Hall effect in disordered graphene and analyze the effect of the disorder in a Chern insulator in Haldane's model on a honeycomb lattice.
Address
Corporate Author Thesis
Publisher Place of Publication New York, N.Y. Editor
Language Wos 000351430600010 Publication Date 2015-03-20
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0031-9007;1079-7114; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 8.462 Times cited 69 Open Access
Notes ; We acknowledge A. R. Hernandez, A. Ferreira, and E. Mucciolo for discussions. T. G. R and J. H. G acknowledge the Brazilian agencies CNPq, FAPERJ, and INCT de Nanoestruturas de Carbono for financial support. L. C. acknowledges the Flemish Science Foundation (FWO-Vlaanderen) for financial support. ; Approved Most recent IF: 8.462; 2015 IF: 7.512
Call Number c:irua:125467 Serial 2827
Permanent link to this record
 
 
Author Lubk, A.; Béché, A.; Verbeeck, J.
Title Electron Microscopy of Probability Currents at Atomic Resolution Type A1 Journal article
Year 2015 Publication Physical review letters Abbreviated Journal Phys Rev Lett
Volume (up) 115 Issue 115 Pages 176101
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Atomic resolution transmission electron microscopy records the spatially resolved scattered electron density to infer positions, density, and species of atoms. These data are indispensable for studying the relation between structure and properties in solids. Here, we show how this signal can be augmented by the lateral probability current of the scattered electrons in the object plane at similar resolutions and fields of view. The currents are reconstructed from a series of three atomic resolution TEM images recorded under a slight difference of perpendicular line foci. The technique does not rely on the coherence of the electron beam and can be used to reveal electric, magnetic, and strain fields with incoherent electron beams as well as correlations in inelastic transitions, such as electron magnetic chiral dichroism.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000363023700011 Publication Date 2015-10-20
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0031-9007;1079-7114; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 8.462 Times cited 12 Open Access
Notes J. V. and A. B. acknowledge funding from the European Research Council under the 7th Framework Program (FP7), ERC Starting Grant No. 278510 VORTEX. The Qu-Ant- EM microscope was partly funded by the Hercules fund from the Flemish Government. All authors acknowledge financial support from the European Union under the Seventh Framework Program under a contract for an Integrated Infrastructure Initiative. Reference No. 312483- ESTEEM2. J. V. acknowledges funding from the FWO under Project No. G.0044.13N.; esteem2jra2; esteem2jra3 ECASJO_; Approved Most recent IF: 8.462; 2015 IF: 7.512
Call Number c:irua:129190 c:irua:129190UA @ admin @ c:irua:129190 Serial 3954
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Author Neyts, E.C.; Ostrikov, K.K.; Sunkara, M.K.; Bogaerts, A.
Title Plasma Catalysis: Synergistic Effects at the Nanoscale Type A1 Journal article
Year 2015 Publication Chemical reviews Abbreviated Journal Chem Rev
Volume (up) 115 Issue 115 Pages 13408-13446
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract Thermal-catalytic gas processing is integral to many current industrial processes. Ever-increasing demands on conversion and energy efficiencies are a strong driving force for the development of alternative approaches. Similarly, synthesis of several functional materials (such as nanowires and nanotubes) demands special processing conditions. Plasma catalysis provides such an alternative, where the catalytic process is complemented by the use of plasmas that activate the source gas. This combination is often observed to result in a synergy between plasma and catalyst. This Review introduces the current state-of-the-art in plasma catalysis, including numerous examples where plasma catalysis has demonstrated its benefits or shows future potential, including CO2 conversion, hydrocarbon reforming, synthesis of nanomaterials, ammonia production, and abatement of toxic waste gases. The underlying mechanisms governing these applications, as resulting from the interaction between the plasma and the catalyst, render the process highly complex, and little is known about the factors leading to the often-observed synergy. This Review critically examines the catalytic mechanisms relevant to each specific application.
Address Department of Chemistry, Research Group PLASMANT, Universiteit Antwerpen , Universiteitsplein 1, 2610 Wilrijk-Antwerp, Belgium
Corporate Author Thesis
Publisher Place of Publication Editor
Language English Wos 000367563000006 Publication Date 2015-11-30
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0009-2665 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 47.928 Times cited 204 Open Access
Notes ECN and AB gratefully acknowledge financial support from the Fund of Scientific Research Flanders (FWO), Belgium, Grant Number G.0217.14N. KO acknowledges partial support by the Australian Research Council and CSIRO’s OCE Science Leaders Program. MKS acknowledges partial support from US National Science Foundation through grants DMS 1125909 and EPSCoR 1355448 and also PhD students Babajide Ajayi, Apolo Nambo and Maria Carreon for their help. Approved Most recent IF: 47.928; 2015 IF: 46.568
Call Number c:irua:130001 Serial 3993
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Author Martens, K.; Jeong, J.W.; Aetukuri, N.; Rettner, C.; Shukla, N.; Freeman, E.; Esfahani, D.N.; Peeters, F.M.; Topuria, T.; Rice, P.M.; Volodin, A.; Douhard, B.; Vandervorst, W.; Samant, M.G.; Datta, S.; Parkin, S.S.P.
Title Field Effect and Strongly Localized Carriers in the Metal-Insulator Transition Material VO(2) Type A1 Journal article
Year 2015 Publication Physical review letters Abbreviated Journal Phys Rev Lett
Volume (up) 115 Issue 115 Pages 196401
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract The intrinsic field effect, the change in surface conductance with an applied transverse electric field, of prototypal strongly correlated VO(2) has remained elusive. Here we report its measurement enabled by epitaxial VO(2) and atomic layer deposited high-kappa dielectrics. Oxygen migration, joule heating, and the linked field-induced phase transition are precluded. The field effect can be understood in terms of field-induced carriers with densities up to approximately 5x10(13) cm(-2) which are trongly localized, as shown by their low, thermally activated mobility ( approximately 1x10(-3) cm(2)/V s at 300 K). These carriers show behavior consistent with that of Holstein polarons and strongly impact the (opto)electronics of VO(2).
Address IBM Research-Almaden, San Jose, California 95120, USA
Corporate Author Thesis
Publisher Place of Publication Editor
Language English Wos 000364024800013 Publication Date 2015-11-05
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0031-9007 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 8.462 Times cited 28 Open Access
Notes ; The authors acknowledge B. Hughes, K. Roche, L. Gao, C. Lada, J. Van Houdt, M. Heyns, J. P. Locquet, J. Delmotte, L. Krupp, L. Clark, and FWO (K. M.). S. D. and N. S. acknowledge LEAST (Low Energy Systems Technology), one of six SRC STARnet Centers, sponsored by MARCO/DARPA, for financial support. ; Approved Most recent IF: 8.462; 2015 IF: 7.512
Call Number c:irua:129547 Serial 4051
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Author Sarmadian, N.; Saniz, R.; Partoens, B.; Lamoen, D.
Title Ab initio study of shallow acceptors in bixbyite V2O3 Type A1 Journal article
Year 2015 Publication Journal of applied physics Abbreviated Journal J Appl Phys
Volume (up) 117 Issue 117 Pages 015703
Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)
Abstract We present the results of our study on p-type dopability of bixbyite V2O3 using the Heyd, Scuseria, and Ernzerhof hybrid functional (HSE06) within the density functional theory (DFT) formalism. We study vanadium and oxygen vacancies as intrinsic defects and substitutional Mg, Sc, and Y as extrinsic defects. We find that Mg substituting V acts as a shallow acceptor, and that oxygen vacancies are electrically neutral. Hence, we predict Mg-doped V2O3 to be a p-type conductor. Our results also show that vanadium vacancies are relatively shallow, with a binding energy of 0.14 eV, so that they might also lead to p-type conductivity.
Address
Corporate Author Thesis
Publisher American Institute of Physics Place of Publication New York, N.Y. Editor
Language Wos 000347958600067 Publication Date 2015-01-05
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 3 Open Access
Notes FWO G015013; Hercules Approved Most recent IF: 2.068; 2015 IF: 2.183
Call Number c:irua:122728 Serial 35
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Author Zhao, S.-X.; Zhang, Y.-R.; Gao, F.; Wang, Y.-N.; Bogaerts, A.
Title Bulk plasma fragmentation in a C4F8 inductively coupled plasma : a hybrid modelling study Type A1 Journal article
Year 2015 Publication Journal of applied physics Abbreviated Journal J Appl Phys
Volume (up) 117 Issue 117 Pages 243303
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract A hybrid model is used to investigate the fragmentation of C4F8 inductive discharges. Indeed, the resulting reactive species are crucial for the optimization of the Si-based etching process, since they determine the mechanisms of fluorination, polymerization, and sputtering. In this paper, we present the dissociation degree, the density ratio of F vs. CxFy (i.e., fluorocarbon (fc) neutrals), the neutral vs. positive ion density ratio, details on the neutral and ion components, and fractions of various fc neutrals (or ions) in the total fc neutral (or ion) density in a C4F8 inductively coupled plasma source, as well as the effect of pressure and power on these results. To analyze the fragmentation behavior, the electron density and temperature and electron energy probability function (EEPF) are investigated. Moreover, the main electron-impact generation sources for all considered neutrals and ions are determined from the complicated C4F8 reaction set used in the model. The C4F8 plasma fragmentation is explained, taking into account many factors, such as the EEPF characteristics, the dominance of primary and secondary processes, and the thresholds of dissociation and ionization. The simulation results are compared with experiments from literature, and reasonable agreement is obtained. Some discrepancies are observed, which can probably be attributed to the simplified polymer surface kinetics assumed in the model.
Address
Corporate Author Thesis
Publisher American Institute of Physics Place of Publication New York, N.Y. Editor
Language Wos 000357613900009 Publication Date 2015-06-30
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 11 Open Access
Notes Approved Most recent IF: 2.068; 2015 IF: 2.183
Call Number c:irua:126477 Serial 261
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