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Author Roegiers, J.; Denys, S.
Title (up) Development of a novel type activated carbon fiber filter for indoor air purification Type A1 Journal article
Year 2021 Publication Chemical Engineering Journal Abbreviated Journal Chem Eng J
Volume 417 Issue Pages 128109
Keywords A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
Abstract A novel type of activated carbon fiber filter was developed for indoor air purification. The filter is equipped with electrodes for thermo-electrical regeneration at the point of saturation. The electrodes are arranged in such a way that the filter forms a pleated structure with an electrode in the tip of each pleat. This allows for a uniform temperature distribution on the filter surface during the regeneration process and the pleated structure reduces the overall pressure drop across the filter. The latter was validated by Computational Fluid Dynamics, using Darcy-Forchheimer parameters derived in previous work. The CFD model was further used to perform a virtual sensitivity study in search for the optimal ACF filter design by varying the pleat length, pleat height and filter thickness. Finally, adsorption and desorption properties were investigated with acetaldehyde and toluene as model compounds. Freundlich and Langmuir adsorption parameters, derived in previous work were successfully validated with a Multiphysics model.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000653229500132 Publication Date 2020-12-15
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 6.216 Times cited Open Access OpenAccess
Notes Approved Most recent IF: 6.216
Call Number UA @ admin @ c:irua:174105 Serial 7800
Permanent link to this record
 
 
Author Huygh, S.; Bogaerts, A.; van Duin, A.C.T.; Neyts, E.C.
Title (up) Development of a ReaxFF reactive force field for intrinsic point defects in titanium dioxide Type A1 Journal article
Year 2014 Publication Computational materials science Abbreviated Journal Comp Mater Sci
Volume 95 Issue Pages 579-591
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract A reactive ReaxFF force field is developed for studying the influence of intrinsic point defects on the chemistry with TiO2 condensed phases. The force field parameters are optimized to ab initio data for the equations of state, relative phase stabilities for titanium and titanium dioxide, potential energy differences for (TiO2)n-clusters (n = 116). Also data for intrinsic point defects in anatase were added. These data contain formation energies for interstitial titanium and oxygen vacancies, diffusion barriers of the oxygen vacancies and molecular oxygen adsorption on a reduced anatase (101) surface. Employing the resulting force field, we study the influence of concentration of oxygen vacancies and expansion or compression of an anatase surface on the diffusion of the oxygen vacancies. Also the barrier for oxygen diffusion in the subsurface region is evaluated using this force field. This diffusion barrier of 27.7 kcal/mol indicates that the lateral redistribution of oxygen vacancies on the surface and in the subsurface will be dominated by their diffusion in the subsurface, since both this barrier as well as the barriers for diffusion from the surface to the subsurface and vice versa (17.07 kcal/mol and 21.91 kcal/mol, respectively, as calculated with DFT), are significantly lower than for diffusion on the surface (61.12 kcal/mol as calculated with DFT).
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000343781700077 Publication Date 2014-09-16
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0927-0256; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.292 Times cited 15 Open Access
Notes Approved Most recent IF: 2.292; 2014 IF: 2.131
Call Number UA @ lucian @ c:irua:119409 Serial 682
Permanent link to this record
 
 
Author Campos, R.; Thiruvottriyur Shanmugam, S.; Daems, E.; Ribeiro, R.; De Wael, K.
Title (up) Development of an electrochemiluminescent oligonucleotide-based assay for the quantification of prostate cancer associated miR-141-3p in human serum Type A1 Journal article
Year 2023 Publication Bioelectrochemistry: an international journal devoted to electrochemical aspects of biology and biological aspects of electrochemistry Abbreviated Journal
Volume 153 Issue Pages 108495-108496
Keywords A1 Journal article; Engineering sciences. Technology; Antwerp Electrochemical and Analytical Sciences Lab (A-Sense Lab)
Abstract MicroRNAs (miRNAs) are small oligonucleotides (18–25 bases), biologically relevant for epigenetic regulation of key processes, particularly in association with cancer. Research effort has therefore been directed towards the monitoring and detection of miRNAs to progress (early) cancer diagnoses. Traditional detection strategies for miRNAs are expensive, with a lengthy time-to-result. In this study we develop an oligonucleotide-based assay using electrochemistry for the specific, selective and sensitive detection of a circulating miRNA (miR-141) associated with prostate cancer. In the assay, the excitation and readout of the signal are independent: an electrochemical stimulation followed by an optical readout. A ‘sandwich’ approach is incorporated, consisting of a biotinylated capture probe immobilised on streptavidin-functionalised surfaces and a detection probe labelled with digoxigenin. We show that the assay allows the detection of miR-141 in human serum, even in the presence of other miRNAs, with a LOD of 0.25 pM. The developed electrochemiluminescent assay has, therefore, the potential for efficient universal oligonucleotide target detection via the redesign of capture and detection probes.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 001031760700001 Publication Date 2023-06-30
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1567-5394 ISBN Additional Links UA library record; WoS full record
Impact Factor 5 Times cited Open Access Not_Open_Access: Available from 01.01.2024
Notes Approved Most recent IF: 5; 2023 IF: 3.346
Call Number UA @ admin @ c:irua:197615 Serial 8849
Permanent link to this record
 
 
Author Hauchecorne, B.
Title (up) Development of an FTIR in situ reactor for real time study of surface reactions in photocatalysis Type Doctoral thesis
Year 2011 Publication Abbreviated Journal
Volume Issue Pages 155 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 978-90-5728-335-2 Additional Links UA library record
Impact Factor Times cited Open Access
Notes Approved no
Call Number UA @ admin @ c:irua:89854 Serial 7801
Permanent link to this record
 
 
Author Roegiers, J.
Title (up) Development of combined photocatalytic and active carbon fiber technology for indoor air purification based on Multiphysics models Type Doctoral thesis
Year 2021 Publication Abbreviated Journal
Volume Issue Pages XXX, 197 p.
Keywords Doctoral thesis; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Sustainable Energy, Air and Water Technology (DuEL)
Abstract Exposure to volatile organic compounds (VOCs) remains a major public health concern. Indoor VOC concentrations typically far exceed outdoor levels due to a variety of emission sources and the stringent insulation measures that are imposed today. Many attempts have been made to use photocatalysis for indoor air purification. In an ideal situation, photocatalysis is capable of complete mineralization of VOCs to H2O and CO2, without any byproduct formation. Moreover, the process can take place at standard atmospheric conditions, i.e. ambient temperature and atmospheric pressure. However, successful exploitation is still impeded due to low conversion efficiency, significant pressure loss (and hence a high energy consumption) and byproduct formation. In the first part of this thesis an attempt was made to tackles these problems by designing a novel type of photocatalytic (PCO) reactor. The PCO device consists of a cylindrical vessel filled with TiO2-coated glass tubes and equipped with UV fluorescence lamps. It was investigated in terms of fluid dynamics, coating properties, UV-light distribution and photocatalytic activity. Experimental data was later used to develop and calibrate a Multiphysics model. The model proved to be a useful tool for designing and upscaling the PCO reactor. Consequently, an optimized prototype reactor was constructed and tested according the CEN-EN-16846-1 standard for VOC removal. Although the prototype showed promising results for lab-scale conditions, it struggled with byproduct formation when purifying ppb-level VOCs. In the second part of this thesis, activated carbon adsorption was investigated in order to combine it with photocatalysis. Activated carbon fiber was opted for its fast kinetics, high adsorption capacity and thermo-electrical regeneration. The filter was studied in detail regarding the adsorption of polar and apolar VOCs at indoor air concentration levels and regeneration capabilities. Experimental data was used to develop a Multiphysics model for activated carbon adsorption as well. Consequently, a novel type of ACF filter was developed using the Multiphysics model, which was equipped with electrodes in the tips of the pleats for effective thermal regeneration. In the last part, the combination of both ACF and PCO was studied using a realistic case study. Based on the Multiphysics model, the feasibility of a so-called hybrid air purification device could be investigated. The Multiphysics model shows promising results for this hybrid PCO-ACF system and hence, a demo setup was constructed for future research.
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 Additional Links UA library record
Impact Factor Times cited Open Access
Notes Approved Most recent IF: NA
Call Number UA @ admin @ c:irua:181137 Serial 6860
Permanent link to this record
 
 
Author Pilehvar, S.
Title (up) Development of new strategies for electrochemical aptasensing Type Doctoral thesis
Year 2016 Publication Abbreviated Journal
Volume Issue Pages 198 p.
Keywords Doctoral thesis; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
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 Additional Links UA library record
Impact Factor Times cited Open Access
Notes Approved no
Call Number UA @ admin @ c:irua:133790 Serial 7802
Permanent link to this record
 
 
Author Ribbens, S.; Meynen, V.; Van Tendeloo, G.; Ke, X.; Mertens, M.; Maes, B.U.W.; Cool, P.; Vansant, E.F.
Title (up) Development of photocatalytic efficient Ti-based nanotubes and nanoribbons by conventional and microwave assisted synthesis strategies Type A1 Journal article
Year 2008 Publication Microporous and mesoporous materials: zeolites, clays, carbons and related materials Abbreviated Journal Micropor Mesopor Mat
Volume 114 Issue 1/3 Pages 401-409
Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Laboratory of adsorption and catalysis (LADCA); Organic synthesis (ORSY)
Abstract Titanate nanotubes were prepared via a hydrothermal treatment of TiO2 powders (Riedel De Haen) in a basic solution. Morphology and structure of the prepared samples were characterized by high resolution transmission electron microscopy (HRTEM), selected area electron diffraction (SAED), XRD, FT-Raman spectroscopy, nitrogen sorption and DSC. The photocatalytic activity was evaluated by photocatalytic oxidation of rhodamine 6G. Trititanate nanotubes (TTNT) with inner pore diameters between 4 and 4.2 nm and surface areas up till 360 m(2)/g could be synthesized. The synthesis route was modified by introduction of a calcination step, by applying a lower hydrothermal temperature and microwave irradiation in order to increase the photocatalytic activity of the porous photoactive nanotubular materials. Calcination and a softer hydrothermal treatment led to the formation of anatase without affecting the surface area and nanotubular shape of the samples. In this way, the photocatalytic activity of the original trititanate nanotubes could be significantly increased. By making use of microwave assisted synthesis, the photocatalytic activity call also be increased due to the presence of anatase. However, by applying microwave synthesis, a different structure was obtained, nanoribbons (NR) instead of nanotubcs, resulting in a decrease in surface area and porosity.
Address
Corporate Author Thesis
Publisher Place of Publication Amsterdam Editor
Language Wos 000258432100040 Publication Date 2008-02-01
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1387-1811; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.615 Times cited 47 Open Access
Notes Fwo; Crp (Ua) Approved Most recent IF: 3.615; 2008 IF: 2.555
Call Number UA @ lucian @ c:irua:69696 Serial 683
Permanent link to this record
 
 
Author Alfeld, M.W.
Title (up) Development of scanning macr-XRF for the investigation of historical paintings Type Doctoral thesis
Year 2013 Publication Abbreviated Journal
Volume Issue Pages 264 p.
Keywords Doctoral thesis; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
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 Additional Links UA library record
Impact Factor Times cited Open Access
Notes Approved no
Call Number UA @ admin @ c:irua:111339 Serial 7803
Permanent link to this record
 
 
Author Mendonça Verbinnen, C.D.
Title (up) Development of semiconductor-based photoelectrochemical sensing strategies for phenolic compounds in natural and supply water Type Doctoral thesis
Year 2022 Publication Abbreviated Journal
Volume Issue Pages 152 p.
Keywords Doctoral thesis; Engineering sciences. Technology; Antwerp Electrochemical and Analytical Sciences Lab (A-Sense Lab)
Abstract A wide variety of organic and inorganic compounds have been frequently released into the environment without control by industries and agricultural activities. This has caused significant impact on the development and health of living organisms, and biodiversity. Therefore, the challenge of monitoring and/or remediation of these contaminants remains. This thesis presents the development of three sensing strategies based on photoelectrochemical sensors to monitor phenolic contaminants. The well-known semiconductors TiO2 and ZnO were used for building novel setups for nM analysis of phenolic compounds in water. The setups employing TiO2-based photosensors were integrated into a photoelectrochemical flow cell. The flow system favored higher sensitivity of the method by periodic wash sequences of the electrode, significantly reducing the electrode fouling. Firstly, a straightforward method was developed based on the immobilization of TiO2 on screen printed graphite electrodes. Under UV light, the developed photosensor presented high performance for the detection of 4- aminophenol. A second study was developed by impregnating gold nanoparticles into TiO2 structure. The incorporation of gold nanoparticles can broaden the light absorption region of TiO2 and improve its photocatalytic activity for the detection of hydroquinone under visible light. In both systems, the detection was possible due to the presence of reactive oxygen species at the surface of TiO2 upon light, which participate in the oxidation process of the analyte. By applying a reductive potential, the oxidized form of the analyte gets reduced and a measurable amperometric response proportional to the initial analyte concentration is recorded. The third proposed setup is a ZnO-based photosensor for the quantification of 4-nitrophenol under UVA light. Nanostructured ZnO was electrochemically synthesized on FTO glass without the use of catalysts or seed layer. A post-growth annealing treatment significantly improved ZnO nanorods physicochemical properties. Subsequent modification of ZnO nanorods with a photosensitizer (perylene acid) increased the photocurrent response and the sensitivity. In this system, the detection mechanism is based on the decrease of the photocurrent response at the presence of an electron harvesting molecule, such as 4-nitrophenol. The decrease in photocurrent is proportional to the increase of 4-nitrophenol concentration in the solution. The applicability of the photoelectrochemical semiconductor-based sensing setups was verified to analyze phenolic compounds in natural and supply water samples. The proposed robust and sensitive approaches were designed for the on-site monitoring of phenolic compounds. The encouraging results confirm the potential of these photosensors as promising tools for tracelevel sensing purposes.
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 Additional Links UA library record
Impact Factor Times cited Open Access
Notes Approved no
Call Number UA @ admin @ c:irua:186763 Serial 8850
Permanent link to this record
 
 
Author Buysse, C.; Kovalevsky, A.; Snijkers, F.; Buekenhoudt, A.; Mullens, S.; Luyten, J.; Kretzschmar, J.; Lenaerts, S.
Title (up) Development, performance and stability of sulfur-free, macrovoid-free BSCF capillaries for high temperature oxygen separation from air Type A1 Journal article
Year 2011 Publication Journal of membrane science Abbreviated Journal J Membrane Sci
Volume 372 Issue 1/2 Pages 239-248
Keywords A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
Abstract Capture and storage of CO2 (CCS) from fossil-fuel power plants is vital in order to counteract a pending anthropogenic global warming. High temperature oxygen transport perovskite membranes can fulfill an important role in the separation of oxygen from air needed in the oxy-fuel technologies for CCS. In this study we present the development, performance and stability of gastight, macrovoid-free and sulfur-free Ba0.5Sr0.5Co0.8Fe0.2O3 − δ (BSCF) mixed conductor capillary membranes prepared by phase-inversion spinning and sintering. A sulfur-free phase-inversion polymer was chosen in order to obtain a phase-pure BSCF crystal phase. Special attention was given to the polymer solution and ceramic spinning suspension in order to avoid macrovoids and achieve gastight membranes. The sulfur-free BSCF capillaries showed an average 4-point bending strength of 64 ± 8 MPa and a maximum oxygen flux of not, vert, similar5.3 Nml/(cm2 min) at 950 °C for an argon sweep flow rate of 125 Nml/min. The comparison of the performance of sulfur-free and sulfur-containing BSCF capillaries with similar dimensions revealed a profound impact of the sulfur contamination on both the oxygen flux and the activation energy of the overall oxygen transport mechanism. Both long-term oxygen permeation at different temperatures and post-operation analysis of a sulfur-free BSCF capillary were performed and discussed.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000289829200026 Publication Date 2011-02-17
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0376-7388 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 6.035 Times cited 32 Open Access
Notes ; The authors want to express their thanks to the VITO staff for their continuous support, especially B. Molenberghs, W. Doyen, H. Beckers, R. Kemps, M. Mertens, M. Schoeters and H. Chen. C. Buysse thankfully acknowledges a PhD scholarship provided by VITO and the University of Antwerp. This work is performed in the framework of the German Helmholtz Alliance Project “MEM-BRAIN”, aiming at the development of gas separation membranes for zero-emission fossil fuel power plants. ; Approved Most recent IF: 6.035; 2011 IF: 3.850
Call Number UA @ admin @ c:irua:89916 Serial 5942
Permanent link to this record
 
 
Author Peeters, F.M.; Li, X.Q.; Matulis, A.
Title (up) Devices consisting of hybrid systems: ferro-magnetic and superconducting disks on top of a heterojunction Type P3 Proceeding
Year 1997 Publication Abbreviated Journal
Volume Issue Pages 253-261
Keywords P3 Proceeding; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher World Scientific 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 ISBN Additional Links UA library record
Impact Factor Times cited Open Access
Notes Approved Most recent IF: NA
Call Number UA @ lucian @ c:irua:19307 Serial 685
Permanent link to this record
 
 
Author Nematollahi, P.; Ma, H.; Schneider, W.F.; Neyts, E.C.
Title (up) DFT and microkinetic comparison of ru-doped porphyrin-like graphene and nanotubes toward catalytic formic acid decomposition and formation Type A1 Journal article
Year 2021 Publication Journal Of Physical Chemistry C Abbreviated Journal J Phys Chem C
Volume 125 Issue 34 Pages 18673-18683
Keywords A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract Immobilization of single metal atoms on a solid host opens numerous possibilities for catalyst designs. If that host is a two-dimensional sheet, sheet curvature becomes a design parameter potentially complementary to host and metal composition. Here, we use a combination of density functional theory calculations and microkinetic modeling to compare the mechanisms and kinetics of formic acid decomposition and formation, chosen for their relevance as a potential hydrogen storage medium, over single Ru atoms anchored to pyridinic nitrogen in a planar graphene flake (RuN4-G) and curved carbon nanotube (RuN4-CNT). Activation barriers are lowered and the predicted turnover frequencies are increased over RuN4-CNT relative to RuN4-CNT. The results highlight the potential of curvature control as a means to achieve high performance and robust catalysts.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000693413400013 Publication Date 2021-08-22
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1932-7447; 1932-7455 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.536 Times cited Open Access OpenAccess
Notes Approved Most recent IF: 4.536
Call Number UA @ admin @ c:irua:181538 Serial 7805
Permanent link to this record
 
 
Author Shirazi, M.; Neyts, E.C.; Bogaerts, A.
Title (up) DFT study of Ni-catalyzed plasma dry reforming of methane Type A1 Journal article
Year 2017 Publication Applied catalysis : B : environmental Abbreviated Journal Appl Catal B-Environ
Volume 205 Issue 205 Pages 605-614
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract tWe investigated the plasma-assisted catalytic reactions for the production of value-added chemicalsfrom Ni-catalyzed plasma dry reforming of methane by means of density functional theory (DFT). Weinspected many activation barriers, from the early stage of adsorption of the major chemical fragmentsderived fromCH4andCO2molecules up to the formation of value-added chemicals at the surface, focusingon the formation of methanol, as well as the hydrogenation of C1and C2hydrocarbon fragments. Theactivation barrier calculations show that the presence of surface-bound H atoms and in some cases alsoremaining chemical fragments at the surface facilitates the formation of products. This implies that thehydrogenation of a chemical fragment on the hydrogenated crystalline surface is energetically favouredcompared to the simple hydrogenation of the chemical fragment at the bare Ni(111) surface. Indeed, thepresence of hydrogen modifies the electronic structure of the surface and the course of the reactions.We therefore conclude that surface-bound H atoms, and to some extent also the remaining chemicalfragments at the crystalline surface, induce the following effects: they facilitate associative desorption ofmethanol and ethane by increasing the rate of H-transfer to the adsorbed fragments while they impedehydrogenation of ethylene to ethane, thus promoting again the desorption of ethylene. Overall, they thusfacilitate the catalytic conversion of the formed fragments from CH4and CO2, into value-added chemicals.Finally, we believe that the retention of methane fragments, especially CH3, in the presence of surface-boundHatoms (as observed here for Ni) can be regarded as an identifier for the proper choice of a catalystfor the production of value-added chemicals.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000393931000063 Publication Date 2017-01-05
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0926-3373 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 9.446 Times cited 26 Open Access OpenAccess
Notes Financial support from the Reactive Atmospheric Plasmaprocessing –eDucation network (RAPID), through the EU 7thFramework Programme (grant agreement no. 606889) is grate-fully acknowledged. The calculations were performed using theTuring HPC infrastructure at the CalcUA core facility of the Univer-siteit Antwerpen, a division of the Flemish Supercomputer CenterVSC, funded by the Hercules Foundation, the Flemish Approved Most recent IF: 9.446
Call Number PLASMANT @ plasmant @ c:irua:139514 Serial 4343
Permanent link to this record
 
 
Author Saqlain, M.A.; Hussain, A.; Siddiq, D.M.; Leenaerts, O.; Leitão, A.A.
Title (up) DFT Study of Synergistic Catalysis of the Water-Gas-Shift Reaction on Cu-Au Bimetallic Surfaces Type A1 Journal article
Year 2016 Publication ChemCatChem Abbreviated Journal Chemcatchem
Volume 8 Issue 8 Pages 1208-1217
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract The water-gas-shift reaction (WGSR) is an important industrial process that can be significantly enhanced at suitable catalyst surfaces. In this work, we investigate the catalytic behavior of metallic Cu(1 0 0) and bimetallic Cu–Au(1 0 0) surfaces. With density functional theory calculations, the variation in the Gibbs free energy (ΔG°), the activation barriers, and the rate constants for the WGSR are calculated. The variation in ΔG° for water dissociation shows that the process is spontaneous up to 520 K on the bimetallic surface and up to 229 K on the Cu(1 0 0) surface. The calculated rate constants for the process also show that the bimetallic surface is much more reactive than the Cu(1 0 0) surface. The calculated pressure–temperature phase diagram for water dissociation shows that the partial pressure of H2O required for water dissociation on the bimetallic surface is substantially lower than that on the Cu(1 0 0) surface at all the studied temperatures. Additionally, the calculations demonstrate that the kinetics of the water-gas-shift reaction is dominated by redox processes on both the surfaces.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000373074900026 Publication Date 2016-02-26
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1867-3880 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.803 Times cited 8 Open Access
Notes ; The authors would like to thank the Brazilian agencies CNPq, CAPES, FAPEMIG (CEX-PPM-00262/13), and TWAS for financial support and CENAPAD-SP for computational facilities. M.A. Saqlain pays special thanks to all the members of GFQSI for making his stay in Brazil memorable. ; Approved Most recent IF: 4.803
Call Number c:irua:133236 Serial 4070
Permanent link to this record
 
 
Author Abreu, Y.; Cruz, C.M.; Pinera, I.; Leyva, A.; Cabal, A.E.; van Espen, P.
Title (up) DFT study of the hyperfine parameters and magnetic properties of ZnO doped with 57Fe Type A1 Journal article
Year 2014 Publication Solid state communications Abbreviated Journal
Volume 185 Issue Pages 25-29
Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Abstract Magnetic state of Fe-57 implanted and doped ZnO samples have been reported and studied by Mossbauer spectroscopy at different temperatures. The Mossbauer spectra mainly showed four doublets and three sextets, but some ambiguous identification remains regarding the probe site location and influence of defects in the hyperfine and magnetic parameters. In the present work some possible implantation configurations are suggested and evaluated using Monte Carlo simulation and electronic structure calculations within the density functional theory. Various implantation environments were proposed and studied considering the presence of defects. The obtained Fe-57 hyperfine parameters show a good agreement with the reported experimental values for some of these configurations. The possibility of Fe pair formation, as well as a Zn site vacancy stabilization between he second and third neighborhood of the implantation site, is supported. (C) 2014 Elsevier Ltd. All rights reserved.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000333751400007 Publication Date 2014-01-23
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0038-1098 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:116839 Serial 7806
Permanent link to this record
 
 
Author Razdobarin, A.G.; Mukhin, E.E.; Semenov, V.V.; Tolstyakov, S.Y.; Kochergin, M.M.; Kurskiev, G.S.; Podushnikova, K.A.; Kirilenko, D.A.; Sitnikova, A.A.; Konovalov, V.G.; Solodovchenko, S.I.; Nekhaieva, O.M.; Skorik, O.A.; Bondarenko, V.N.; Voitsenya, V.S.;
Title (up) Diagnostic mirrors with transparent protection layer for ITER Type A1 Journal article
Year 2011 Publication Fusion engineering and design Abbreviated Journal Fusion Eng Des
Volume 86 Issue 6-8 Pages 1341-1344
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract Fast degradation of in-vessel optics is one of the most serious problems for all optical diagnostics in ITER. To provide the resistance to mechanical and thermal stresses along with a high stability of optical characteristics under deposition-dominated conditions we suggest using high-reflective metallic (Ag or Al) film mirrors coated on silicon substrate and protected with thin oxide film in the divertor Thomson Scattering (TS) diagnostics. The mirrors coated with Al2O3 and ZrO2 films were tested under irradiation by deuterium ions. The experimental results on the oxide films sputtering are discussed in the context of their applicability for the first mirror protection in ITER.
Address
Corporate Author Thesis
Publisher Elsevier science sa Place of Publication Amsterdam Editor
Language Wos 000297426500203 Publication Date 2011-03-17
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0920-3796; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.319 Times cited 6 Open Access
Notes Approved Most recent IF: 1.319; 2011 IF: 1.490
Call Number UA @ lucian @ c:irua:93631 Serial 686
Permanent link to this record
 
 
Author da Costa, W.B.; Peeters, F.M.
Title (up) Diagonalization of the generalized Feynman bipolaron model in a magnetic field Type A1 Journal article
Year 1995 Publication Journal of physics : condensed matter Abbreviated Journal J Phys-Condens Mat
Volume 7 Issue Pages 1293-1304
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication London Editor
Language Wos A1995QJ24700011 Publication Date 2002-08-25
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0953-8984;1361-648X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.346 Times cited 18 Open Access
Notes Approved no
Call Number UA @ lucian @ c:irua:12199 Serial 687
Permanent link to this record
 
 
Author Doenen, M.; Zhang, L.; Erni, R.; Williams, O.A.; Hardy, A.; van Bael, M.K.; Wagner, P.; Haenen, K.; Nesladek, M.; Van Tendeloo, G.
Title (up) Diamond nucleation by carbon transport from buried nanodiamond TiO2 sol-gel composites Type A1 Journal article
Year 2009 Publication Advanced materials Abbreviated Journal Adv Mater
Volume 21 Issue 6 Pages 670-673
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Weinheim Editor
Language Wos 000263492000007 Publication Date 2008-12-02
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0935-9648;1521-4095; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 19.791 Times cited 20 Open Access
Notes Fwo; Iap-P6/42; Esteem 026019 Approved Most recent IF: 19.791; 2009 IF: NA
Call Number UA @ lucian @ c:irua:76329 Serial 688
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Author De Tommasi, E.; Gielis, J.; Rogato, A.
Title (up) Diatom frustule morphogenesis and function : a multidisciplinary survey Type A1 Journal article
Year 2017 Publication Marine Genomics Abbreviated Journal
Volume 35 Issue Pages 1-18
Keywords A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
Abstract Diatoms represent the major component of phytoplankton and are responsible for about 2025% of global primary production. Hundreds of millions of years of evolution led to tens of thousands of species differing in dimensions and morphologies. In particular, diatom porous silica cell walls, the frustules, are characterized by an extraordinary, species-specific diversity. It is of great interest, among the marine biologists and geneticists community, to shed light on the origin and evolutionary advantage of this variability of dimensions, geometries and pore distributions. In the present article the main reported data related to frustule morphogenesis and functionalities with contributions from fundamental biology, genetics, mathematics, geometry and physics are reviewed.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000412957700001 Publication Date 2017-07-20
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1874-7787 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:144546 Serial 7807
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Author Van Eynde, E.; Tytgat, T.; Smits, M.; Verbruggen, S.; Hauchecorne, B.; Blust, R.; Lenaerts, S.
Title (up) Diatom silica-titania materials for photocatalytic air purification Type A2 Journal article
Year 2013 Publication Communications in agricultural and applied biological sciences Abbreviated Journal
Volume 1 Issue 1 Pages 141-147
Keywords A2 Journal article; 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 1379-1176 ISBN Additional Links UA library record
Impact Factor Times cited Open Access
Notes Approved Most recent IF: NA
Call Number UA @ admin @ c:irua:105334 Serial 5943
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Author Van Eynde, E.; Lenaerts, S.
Title (up) Diatom silica-titania materials for photocatalytic air purification Type H3 Book chapter
Year 2012 Publication Abbreviated Journal
Volume Issue Pages 240-241
Keywords H3 Book chapter; 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 978-989-97667-4-7 Additional Links UA library record
Impact Factor Times cited Open Access
Notes Approved Most recent IF: NA
Call Number UA @ admin @ c:irua:105335 Serial 5944
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Author Van Eynde, E.; Hu, Z.-Y.; Tytgat, T.; Verbruggen, S.W.; Watte, J.; Van Tendeloo, G.; Van Driessche, I.; Blust, R.; Lenaerts, S.
Title (up) Diatom silica-titania photocatalysts for air purification by bio-accumulation of different titanium sources Type A1 Journal article
Year 2016 Publication Environmental science : nano Abbreviated Journal Environ Sci-Nano
Volume 3 Issue 5 Pages 1052-1061
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Sustainable Energy, Air and Water Technology (DuEL)
Abstract We present a green, biological production route for silica-titania photocatalysts using diatom microalgae. Diatoms are single-celled, eukaryotic microalgae (2-2000 mu m) that self-assemble soluble silicon (Si(OH)(4)) into intricate silica cell walls, called frustules. These diatom frustules are formed under ambient conditions and consist of hydrated silica with specific 3D morphologies and micro-meso or macroporosity. A remarkable characteristic of diatoms is their ability to bioaccumulate soluble titanium from cell culture medium and incorporate them into their nanostructured silica cell wall. Controlled cultivation of the diatom Pinnularia sp. on soluble titanium in a batch process resulted in the biological immobilisation of titanium dioxide in the porous 3D architecture of the frustules. Six different titanium sources are tested. The silica-titania frustules were isolated by treating the harvested Pinnularia cells with nitric acid (65%) or by high temperature treatment. Thermal annealing converted the amorphous titania into crystalline titania. The produced silica-titania material is evaluated towards photocatalytic activity for acetaldehyde (C2H4O) abatement. Frustules cultivated with TiBaldH showed the highest photocatalytic performance. Comparison of the photocatalytic activity with P25 reveals that P25 has a 4 fold higher photocatalytic activity, but when photocatalytic activity is normalized for titania content, the frustules show double activity. Further material characterization (morphology, crystallinity, surface area and elemental distribution) of the TiBaldH silica-titania frustules provides additional insight into their structure-activity relationship. These natural biosilicatitania materials have excellent properties for photocatalytic purposes, including high surface area (108 m(2) g(-1)) and good porosity, and show reliable immobilization of TiO2 in the ordered structure of the diatom frustule.
Address
Corporate Author Thesis
Publisher Royal Society of Chemistry Place of Publication Cambridge Editor
Language Wos 000385257900011 Publication Date 2016-07-21
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2051-8153; 2051-8161 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 6.047 Times cited 7 Open Access
Notes ; ; Approved Most recent IF: 6.047
Call Number UA @ lucian @ c:irua:144751 Serial 4644
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Author Potgieter-Vermaak, S.; Van Grieken, R.; Potgieter, H.
Title (up) Die risikoprofiel van Pb en Cr in stedelike padstof Type A2 Journal article
Year 2012 Publication Litnet akademies : 'n joernaal vir die geesteswetenskappe Abbreviated Journal
Volume 9 Issue 3 Pages 1-22
Keywords A2 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Abstract The risk profile of Cr and Pb in urban road deposited sediment Exponential urbanisation and industrial growth occur on a global scale and result in an ecological burden, of which one important part is pollution. It is well known that the extent of air pollution has escalated over the past two decades in several parts of the world, despite mitigating measures and legislation. Current research points to the fact that air pollution in urban and industrial areas is substantially different from that found in rural areas. Road dust (RD) contributes up to 35% of airborne particulate matter due to resuspension thereof, and poses a health concern due to carcinogenic and toxic components potentially present in the micron-sized fractions. Although literature does report on the concentrations of trace, toxic metals and metalloids present in RD (Hooker and Nathanail 2006), the molecular make-up of particulates generated due to the resuspension of the RD is not well documented. In vitro and animal toxicological studies have confirmed that the chemical composition of inhaled particles plays a major role in its toxic, genotoxic and carcinogenic mechanisms, but the component-specific toxic effects are still not understood. Transition metals binding to air particle matter can result in reactive oxygen species in the human body (particularly in the lungs), and this is a significant risk, especially for vulnerable population groups like elderly people, children and terminally ill patients. The characterisation of the molecular composition of the fine fraction is evidently of importance for public health. During an earlier study, road dust from an inner-city environment in the UK was collected and partially characterised (Barrett e.a. 2010). These same-size fractions were analysed for their elemental concentrations, using X-ray Fluorescence Spectrometry (XRFS) and Inductively Coupled Plasma Mass Spectrometry (ICP-MS). In addition, single-particle analysis was performed on the different fractions by means of Computer Controlled Electron Probe X-ray Micro Analysis (CC-EPXMA) and their molecular structure probed by studying elemental associations. These findings were correlated with Micro Raman Spectroscopy (MRS) results. It was found that the fine fraction (<38 μm) had the highest Pb (238 ppm) and Cr (171 ppm) concentrations. The CC-EPXMA data showed >50% association of Cr-rich particles with Pb and the MRS data showed that the Cr was mostly present as lead chromate and therefore in the Cr(VI) oxidation state. Concentrations of both Pb and Cr decreased substantially (279 (<38 mm) 13 ppm (<1mm); 171 (<38 mm) 91 ppm (<1mm) respectively) in the larger fractions. Apart from rather alarmingly high concentrations of oxidative stressors (Cu, Fe, Mn), the carcinogenic and toxic potential of the inhalable fraction is evident. Preliminary bioaccessibility data indicated that both Cr and Pb are readily
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 1995-5928 ISBN Additional Links UA library record
Impact Factor Times cited Open Access
Notes Approved no
Call Number UA @ admin @ c:irua:102566 Serial 8482
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Author De Bie, C.; Martens, T.; van Dijk, J.; Paulussen, S.; Verheyde, B.; Corthals, S.; Bogaerts, A.
Title (up) Dielectric barrier discharges used for the conversion of greenhouse gases: modeling the plasma chemistry by fluid simulations Type A1 Journal article
Year 2011 Publication Plasma sources science and technology Abbreviated Journal Plasma Sources Sci T
Volume 20 Issue 2 Pages 024008,1-024008,11
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract The conversion of methane to value-added chemicals and fuels is considered to be one of the challenges of the 21st century. In this paper we study, by means of fluid modeling, the conversion of methane to higher hydrocarbons or oxygenates by partial oxidation with CO2 or O2 in a dielectric barrier discharge. Sixty-nine different plasma species (electrons, ions, molecules, radicals) are included in the model, as well as a comprehensive set of chemical reactions. The calculation results presented in this paper include the conversion of the reactants and the yields of the reaction products as a function of residence time in the reactor, for different gas mixing ratios. Syngas (i.e. H2 + CO) and higher hydrocarbons (C2Hx) are typically found to be important reaction products.
Address
Corporate Author Thesis
Publisher Institute of Physics Place of Publication Bristol Editor
Language Wos 000290719900009 Publication Date 2011-04-02
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0963-0252;1361-6595; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.302 Times cited 38 Open Access
Notes Approved Most recent IF: 3.302; 2011 IF: 2.521
Call Number UA @ lucian @ c:irua:87868 Serial 689
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Author Li, B.; Partoens, B.; Peeters, F.M.; Magnus, W.
Title (up) Dielectric mismatch effect on coupled impurity states in a freestanding nanowire Type A1 Journal article
Year 2009 Publication Microelectronics journal Abbreviated Journal Microelectron J
Volume 40 Issue 3 Pages 446-448
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract We studied the coupled impurity states in a freestanding semiconductor nanowire (NW), within the effective mass approximation and including the effect of the dielectric mismatch, by using finite element method. Bonding and anti-bonding states are found and their energies converge with increasing distance di between the two impurities. The dependence of the binding energy on the wire radius R and the distance di between the two impurities is investigated, and we compare it with the result of a freestanding NW that contains a single impurity.
Address
Corporate Author Thesis
Publisher Place of Publication Luton Editor
Language Wos 000264694700017 Publication Date 2008-07-30
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0026-2692; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.163 Times cited 4 Open Access
Notes Approved Most recent IF: 1.163; 2009 IF: 0.778
Call Number UA @ lucian @ c:irua:76410 Serial 690
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Author Li, B.; Partoens, B.; Peeters, F.M.; Magnus, W.
Title (up) Dielectric mismatch effect on coupled shallow impurity states in a semiconductor nanowire Type A1 Journal article
Year 2009 Publication Physical review : B : solid state Abbreviated Journal Phys Rev B
Volume 79 Issue 8 Pages 085306,1-085306,7
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Coupled shallow impurity states in a freestanding semiconductor nanowire and in a semiconductor nanowire surrounded by a metallic gate are studied within the effective-mass approximation. Bonding and antibonding states are found due to the coupling of the two impurities, and their energy converges with increasing distance di between the two impurities. The dependences of the binding energy on the wire radius R, the distance di between the two impurities, and the impurity radial position in the nanowire are examined.
Address
Corporate Author Thesis
Publisher Place of Publication Lancaster, Pa Editor
Language Wos 000263816000051 Publication Date 2009-02-09
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.836 Times cited 11 Open Access
Notes Approved Most recent IF: 3.836; 2009 IF: 3.475
Call Number UA @ lucian @ c:irua:76223 Serial 691
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Author Li, B.; Slachmuylders, A.F.; Partoens, B.; Magnus, W.; Peeters, F.M.
Title (up) Dielectric mismatch effect on shallow impurity states in a semiconductor nanowire Type A1 Journal article
Year 2008 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 77 Issue Pages 115335,1-10
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Lancaster, Pa Editor
Language Wos 000254542800131 Publication Date 2008-03-19
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 24 Open Access
Notes Approved Most recent IF: 3.836; 2008 IF: 3.322
Call Number UA @ lucian @ c:irua:69630 Serial 692
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Author Slachmuylders, A.F.; Partoens, B.; Magnus, W.; Peeters, F.M.
Title (up) Dielectric mismatch effect on the exciton states in cylindrical nanowires Type A1 Journal article
Year 2006 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 74 Issue 23 Pages 235321,1-8
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Lancaster, Pa Editor
Language Wos 000243195700080 Publication Date 2006-12-20
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 39 Open Access
Notes Approved Most recent IF: 3.836; 2006 IF: 3.107
Call Number UA @ lucian @ c:irua:62178 Serial 693
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Author Eckert, M.; Neyts, E.; Bogaerts, A.
Title (up) Differences between ultrananocrystalline and nanocrystalline diamond growth: theoretical investigation of CxHy species at diamond step edges Type A1 Journal article
Year 2010 Publication Crystal growth & design Abbreviated Journal Cryst Growth Des
Volume 10 Issue 9 Pages 4123-4134
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract The behavior of hydrocarbon species at step edges of diamond terraces is investigated by means of combined molecular dynamics−Metropolis Monte Carlo simulations. The results show that the formation of ballas-like diamond films (like UNCD) and well-faceted diamond films (like NCD) can be related to the gas phase concentrations of CxHy in a new manner: Species that have high concentrations above the growing UNCD films suppress the extension of step edges through defect formation. The species that are present above the growing NCD film, however, enhance the extension of diamond terraces, which is believed to result in well-faceted diamond films. Furthermore, it is shown that, during UNCD growth, CxHy species with x ≥ 2 play an important role, in contrast to the currently adopted CVD diamond growth mechanism. Finally, the probabilities for the extension of the diamond (100) terrace are much higher than those for the diamond (111) terrace, which is in full agreement with the experimental observation that diamond (100) facets are more favored than diamond (111) facets during CVD diamond growth.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000281353900042 Publication Date 2010-08-16
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1528-7483;1528-7505; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.055 Times cited 11 Open Access
Notes Approved Most recent IF: 4.055; 2010 IF: 4.390
Call Number UA @ lucian @ c:irua:83696 Serial 694
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Author Komendová, L.; Milošević, M.V.; Shanenko, A.A.; Peeters, F.M.
Title (up) Different length scales for order parameters in two-gap superconductors : extended Ginzburg-Landau theory Type A1 Journal article
Year 2011 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 84 Issue 6 Pages 064522-064522,5
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Using the Ginzburg-Landau theory extended to the next-to-leading order, we determine numerically the healing lengths of the two order parameters at the two-gap superconductor/normal metal interface. We demonstrate on several examples that those can be different even in the strict domain of applicability of the Ginzburg-Landau theory. This justifies the use of this theory to describe relevant physics of two-gap superconductors, distinguishing them from their single-gap counterparts. The calculational degree of complexity increases only slightly with respect to the conventional Ginzburg-Landau expansion, thus the extended Ginzburg-Landau model remains numerically far less demanding compared to the full microscopic approaches.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000294226000013 Publication Date 2011-08-25
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 56 Open Access
Notes ; This work was supported by the Flemish Science Foundation (FWO-Vl), the Belgian Science Policy (IAP), and the ESF-INSTANS network. ; Approved Most recent IF: 3.836; 2011 IF: 3.691
Call Number UA @ lucian @ c:irua:92414 Serial 695
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