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Author Ning, Y.; Zhang, X.; Wang, Y.; Sun, Y.; Shen, L.; Yang, X.; Van Tendeloo, G.
Title (up) Bulk production of multi-wall carbon nanotube bundles on sol-gel prepared catalyst Type A1 Journal article
Year 2002 Publication Chemical physics letters Abbreviated Journal Chem Phys Lett
Volume 366 Issue 5/6 Pages 555-560
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Amsterdam Editor
Language Wos 000179484300017 Publication Date 2002-12-03
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0009-2614; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.815 Times cited 41 Open Access
Notes Approved Most recent IF: 1.815; 2002 IF: 2.526
Call Number UA @ lucian @ c:irua:54776 Serial 262
Permanent link to this record
 
 
Author Gielis, J.; Caratelli, D.; Tavkelidze, I.; Fougerolle, Y.; Ricci, P.E.; Gerats, T.
Title (up) Bulky knots and links generated by cutting generalized Mobius-Listing bodies and applications in the natural sciences Type H2 Book chapter
Year 2013 Publication Abbreviated Journal
Volume Issue Pages 167-183 T2 - Math Art Summit : Koninklijke Vlaamse
Keywords H2 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 978-90-6569-119-4 Additional Links UA library record
Impact Factor Times cited Open Access
Notes Approved no
Call Number UA @ admin @ c:irua:110955 Serial 7569
Permanent link to this record
 
 
Author Colomer, J.-F.; Henrard, L.; Launois, P.; Van Tendeloo, G.; Lucas, A.A.; Lambin, P.
Title (up) Bundles of identical double-walled carbon nanotubes Type A1 Journal article
Year 2004 Publication Chemical communications Abbreviated Journal Chem Commun
Volume Issue 22 Pages 2592-2593
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000225375100035 Publication Date 2004-09-30
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1359-7345;1364-548X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 6.319 Times cited 13 Open Access
Notes Approved Most recent IF: 6.319; 2004 IF: 3.997
Call Number UA @ lucian @ c:irua:54875 Serial 263
Permanent link to this record
 
 
Author Bogaerts, A.; Zhang, Q.-Z.; Zhang, Y.-R.; Van Laer, K.; Wang, W.
Title (up) Burning questions of plasma catalysis: Answers by modeling Type A1 Journal article
Year 2019 Publication Catalysis today Abbreviated Journal Catal Today
Volume 337 Issue Pages 3-14
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract Plasma catalysis is promising for various environmental, energy and chemical synthesis applications, but the underlying mechanisms are far from understood. Modeling can help to obtain a better insight in these mechanisms. Some burning questions relate to the plasma behavior inside packed bed reactors and whether plasma can penetrate into catalyst pores. In this paper, we try to provide answers to these questions, by means of both fluid modeling and particle-in-cell/Monte Carlo collision simulations. We present a short overview of recent findings obtained in our group by means of modeling, i.e., the enhanced electric field near the contact points and the streamer propagation through the packing in packed bed reactors, as well as the plasma behavior in catalyst pores, to determine the minimum pore size in which plasma streamers can penetrate.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000482179500002 Publication Date 2019-04-24
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0920-5861 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.636 Times cited 7 Open Access
Notes University of Antwerp, the European Marie Skłodowska-Curie Individual Fellowships “GlidArc”; “CryoEtch” within Horizon2020, 657304 702604 ;We would like to thank H.-H. Kim for performing experiments to validate the modeling of streamer propagation in packed bed reactors. We acknowledge financial support from the TOP-BOF project of the University of Antwerp, the European Marie Skłodowska-Curie Individual Fellowships “GlidArc” and “CryoEtch” within Horizon2020 (Grant Nos. 657304 and 702604). Approved Most recent IF: 4.636
Call Number PLASMANT @ plasmant @c:irua:161775 Serial 5356
Permanent link to this record
 
 
Author Michielsen, B.; Verlackt, C.; van der Veken, B.J.; Herrebout, W.A.
Title (up) C-H\cdots X (X = S, P) hydrogen bonding : the complexes of halothane with dimethyl sulfide and trimethylphosphine Type A1 Journal article
Year 2012 Publication Journal Of Molecular Structure Abbreviated Journal J Mol Struct
Volume 1023 Issue Pages 90-95
Keywords A1 Journal article; Electron Microscopy for Materials Science (EMAT);
Abstract The formation of CH⋯S and CH⋯P hydrogen bonded complexes of halothane, CHBrClCF3, with dimethyl sulfide(-d6) and trimethylphosphine(-d9) have been studied in solutions of liquid krypton using infrared and Raman spectroscopy. In the 1:1 complexes, the halothane CH stretching mode is found to be red-shifted by 43 cm−1 in the dimethyl sulfide complex, and by 63 cm−1 in the trimethylphosphine complex. The complexation enthalpies were derived and amount to −10.7(2) and −11.2(2) kJ mol−1 for the respective complexes. The experiments were supported by ab initio calculations and Monte Carlo simulations. The obtained data for the CH⋯S and CH⋯P hydrogen bonds is compared to that of corresponding CH⋯O and CH⋯N hydrogen bonds.
Address
Corporate Author Thesis
Publisher Place of Publication Amsterdam Editor
Language Wos 000308971900017 Publication Date 2012-03-23
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0022-2860; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.753 Times cited 21 Open Access
Notes Approved Most recent IF: 1.753; 2012 IF: 1.404
Call Number UA @ lucian @ c:irua:100917 Serial 3519
Permanent link to this record
 
 
Author Anastasiou, I.; Van Velthoven, N.; Tomarelli, E.; Lombi, A.; Lanari, D.; Liu, P.; Bals, S.; De Vos, D.E.; Vaccaro, L.
Title (up) C2-H arylation of indoles catalyzed by palladium-containing metal-organic-framework in γ-valerolactone Type A1 Journal article
Year 2020 Publication Chemsuschem Abbreviated Journal Chemsuschem
Volume 13 Issue 10 Pages
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract An efficient and selective procedure was developed for the direct C2-H arylation of indoles using a Pd-loaded metal-organic framework (MOF) as a heterogeneous catalyst and the nontoxic biomass-derived solvent gamma-valerolactone (GVL) as a reaction medium. The developed method allows for excellent yields and C-2 selectivity to be achieved and tolerates various substituents on the indole scaffold. The established conditions ensure the stability of the catalyst as well as recoverability, reusability, and low metal leaching into the solution.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000520285700001 Publication Date 2020-02-15
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1864-5631 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 8.4 Times cited 22 Open Access Not_Open_Access
Notes ; The research leading to these results has received funding from the NMBP-01-2016 Programme of the European Union's Horizon 2020 Framework Programme H2020/2014-2020/under grant agreement no [720996]. The Universit degli Studi di Perugia and MIUR are acknowledged for financial support to the project AMIS, through the program “Dipartimenti di Eccellenza -2018-2022”. The XAS experiments were performed on beamline BM26A at the European Synchrotron Radiation Facility (ESRF), Grenoble (France). We are grateful to D. Banerjee at the ESRF for providing assistance in using beamline BM26A. Niels Van Velthoven and Dirk E. De Vos also thank FWO for funding. ; Approved Most recent IF: 8.4; 2020 IF: 7.226
Call Number UA @ admin @ c:irua:167678 Serial 6465
Permanent link to this record
 
 
Author Bafekry, A.; Shayesteh, S.F.; Peeters, F.M.
Title (up) C3N Monolayer: Exploring the Emerging of Novel Electronic and Magnetic Properties with Adatom Adsorption, Functionalizations, Electric Field, Charging, and Strain Type A1 Journal article
Year 2019 Publication The journal of physical chemistry: C : nanomaterials and interfaces Abbreviated Journal J Phys Chem C
Volume 123 Issue 19 Pages 12485-12499
Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
Abstract Two-dimensional polyaniline with structural unit C3N is an indirect semiconductor with 0.4 eV band gap, which has attracted a lot of interest because of its unusual electronic, optoelectronic, thermal, and mechanical properties useful for various applications. Adsorption of adatoms is an effective method to improve and tune the properties of C3N. Using first-principles calculations, we investigated the adsorption of adatoms, including H, O, S, F, Cl, B, C, Si, N, P, Al, Li, Na, K, Be, Mg, Ca, Sc, Ti, V, Cr, Mn, Fe, Co, Ni, Cu, and Zn, on C3N. Depending on the adatom size and the number of valence electrons, they may induce metallic, half-metallic, semiconducting, and ferromagnetic-metallic behavior. In addition, we investigate the effects of an electrical field, charging, and strain on C3N and found how the electronic and magnetic properties are modified. Semi- and full hydrogenation are studied. From the mechanical and thermal stability of C3N monolayer, we found it to be a hard material that can withstand large strain. From our calculations, we gained novel insights into the properties of C3N demonstrating its unique electronic and magnetic properties that can be useful for semiconducting, nanosensor, and catalytic applications.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000468368800053 Publication Date 2019-04-24
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 67 Open Access
Notes ; This work was supported by the Flemish Science Foundation (FW0-V1). The authors thank Keyvan Nazifi from the Cluster Center of Faculty of Science, Guilan University, for his help. They acknowledge OpenMX team for OpenMX code. ; Approved Most recent IF: 4.536
Call Number UA @ admin @ c:irua:160323 Serial 5196
Permanent link to this record
 
 
Author Buydens, L.; van Espen, P.; Rutan, S.
Title (up) CAC-2010 : Twelfth international conference on chemometrics in analytical chemistry Type Editorial
Year 2011 Publication Analytica chimica acta Abbreviated Journal
Volume 705 Issue 1/2 Pages 1
Keywords Editorial; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000295993900001 Publication Date 2011-08-14
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0003-2670; 1873-4324 ISBN Additional Links UA library record; WoS full record
Impact Factor Times cited Open Access
Notes Approved no
Call Number UA @ admin @ c:irua:93573 Serial 7570
Permanent link to this record
 
 
Author Hendrickx, M.; Tang, Y.; Hunter, E.C.; Battle, P.D.; Cadogan, Jm.; Hadermann, J.
Title (up) CaLa2FeCoSbO9 and ALa2FeNiSbO9 (A = Ca, Sr, Ba): cation-ordered, inhomogeneous, ferrimagnetic perovskites Type A1 Journal article
Year 2020 Publication Journal Of Solid State Chemistry Abbreviated Journal J Solid State Chem
Volume 285 Issue Pages 121226
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Polycrystalline samples of CaLa2FeCoSbO9 and ALa2FeNiSbO9 (A=Ca, Sr, Ba) have been prepared in solid-state reactions and studied by a combination of transmission electron microscopy, magnetometry, X-ray diffraction, neutron diffraction and Mössbauer spectroscopy. Diffraction and TEM showed that each shows 1:1 B-site ordering in which Co2+/Ni2+ and Sb5+ tend to occupy two distinct crystallographic sites while Fe3+ is distributed over both sites. While X-ray and neutron diffraction agreed that all four compositions are monophasic with space group P21/n, TEM revealed different levels of compositional inhomogeneity at the subcrystal scale, which, in the case of BaLa2FeNiSbO9, leads to the occurrence of both a P21/n and an I2/m phase. Magnetometry and neutron diffraction show that these perovskites are ferrimagnets with a G-type magnetic structure. Their relatively low magnetisation can be attributed to their inhomogeneity. This work demonstrates the importance of studying the microstructure of complex compositions.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000521107900017 Publication Date 2020-01-30
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0022-4596 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.3 Times cited Open Access OpenAccess
Notes PDB, ECH, and JH acknowledge support from EPSRC under grant EP/M0189954/1. We would also like to thank E. Suard at ILL and I. Da Silva at ISIS for the experimental assistance they provided. Approved Most recent IF: 3.3; 2020 IF: 2.299
Call Number EMAT @ emat @c:irua:167137 Serial 6345
Permanent link to this record
 
 
Author Dzhurakhalov, A.A.; Atanasov, I.; Hou, M.
Title (up) Calculation of binary and ternary metallic immiscible clusters with icosahedral structures Type A1 Journal article
Year 2008 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume Issue Pages 115415
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract Recently, core-shell Ag-Co, Ag-Cu, and “onionlike” Cu-Co equilibrium configurations were predicted in the case of isolated face centered cubic (fcc) bimetallic clusters, and three shell onionlike configurations were predicted in the case of ternary metallic clusters with spherical and truncated octahedral morphologies. In the present paper, immiscible binary CuCo and ternary AgCuCo clusters with icosahedral structures are studied as functions of their size and composition. Clusters studied are formed by 13, 55, 147, 309, and 561 atoms corresponding to the five smallest possible closed shell icosahedral structures. An embedded atom model potential is used to describe their cohesion. Equilibrium configurations are investigated by means of Metropolis Monte Carlo free energy minimization in the (NPT) canonical ensemble. Most simulations are achieved at 10 and 300 K. The effect of temperature on segregation ordering is systematically investigated. Selected cases are used to identify the effect of size and composition on melting. In contrast with fcc clusters, homogeneous onionlike configurations of binary clusters are not predicted. When it is allowed by the composition, a complete outer shell is formed by Cu in binary Cu-Co clusters and by Ag in ternary Ag-Cu-Co clusters. Depending on temperature, Co may precipitate into decahedral groups under the Cu vertices of the icosahedra in binary clusters, while the Co-Cu configuration in ternary clusters drastically depends on the Ag coating. Despite the multicomponent character of the clusters and the immiscibility of the species forming them, for most compositions and sizes, equilibrium structures remain close to perfectly icosahedral at 10 K as well as at 300 K.
Address
Corporate Author Thesis
Publisher Place of Publication Lancaster, Pa Editor
Language Wos 000254542800167 Publication Date 2008-03-11
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 11 Open Access
Notes Approved Most recent IF: 3.836; 2008 IF: 3.322
Call Number UA @ lucian @ c:irua:104033 Serial 4517
Permanent link to this record
 
 
Author Bogaerts, A.; Gijbels, R.
Title (up) Calculation of cathode heating in analytical glow discharges Type A1 Journal article
Year 2004 Publication Journal of analytical atomic spectrometry Abbreviated Journal J Anal Atom Spectrom
Volume 19 Issue Pages 1206-1212
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication London Editor
Language Wos 000223738000020 Publication Date 2004-09-07
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0267-9477;1364-5544; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.379 Times cited 21 Open Access
Notes Approved Most recent IF: 3.379; 2004 IF: 3.926
Call Number UA @ lucian @ c:irua:47647 Serial 264
Permanent link to this record
 
 
Author Bogaerts, A.; Gijbels, R.
Title (up) Calculation of crater profiles on a flat cathode in a direct current glow discharge, and comparison with experiment Type A1 Journal article
Year 1997 Publication Spectrochimica acta: part B : atomic spectroscopy Abbreviated Journal Spectrochim Acta B
Volume 52 Issue 6 Pages 765-778
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Oxford Editor
Language Wos A1997XH34900009 Publication Date 0000-00-00
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0584-8547; 0038-6987 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.241 Times cited 42 Open Access
Notes Approved Most recent IF: 3.241; 1997 IF: 2.448
Call Number UA @ lucian @ c:irua:19603 Serial 265
Permanent link to this record
 
 
Author Schowalter, M.; Rosenauer, A.; Titantah, J.T.; Lamoen, D.
Title (up) Calculation of Debye-Waller temperature factors for GaAs Type A1 Journal article
Year 2008 Publication Springer proceedings in physics Abbreviated Journal
Volume 120 Issue Pages 195-198
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Berlin Editor
Language Wos Publication Date 0000-00-00
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0930-8989 ISBN Additional Links UA library record; WoS full record;
Impact Factor Times cited Open Access
Notes Approved Most recent IF: NA
Call Number UA @ lucian @ c:irua:73966 Serial 266
Permanent link to this record
 
 
Author Kolev, I.; Bogaerts, A.
Title (up) Calculation of gas heating in a dc sputter magnetron Type A1 Journal article
Year 2008 Publication Journal of applied physics Abbreviated Journal J Appl Phys
Volume 104 Issue 9 Pages 093301,1-093301,8
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract The effect of gas heating in laboratory sputter magnetrons is investigated by means of numerical modeling. The model is two-dimensional in the coordinate space and three-dimensional in the velocity space based on the particle-in-cellMonte Carlo collisions technique. It is expanded in a way that allows the inclusion of the neutral plasma particles (fast gas atoms and sputtered atoms), which makes it possible to calculate the gas temperature and its influence on the discharge behavior in a completely self-consistent way. The results of the model are compared to experimental measurements and to other existing simulation results. The results show that gas heating is pressure dependent (rising with the increase in the gas pressure) and should be taken into consideration at pressures above 10 mTorr.
Address
Corporate Author Thesis
Publisher American Institute of Physics Place of Publication New York, N.Y. Editor
Language Wos 000260941700017 Publication Date 2008-11-07
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0021-8979; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.068 Times cited 19 Open Access
Notes Approved Most recent IF: 2.068; 2008 IF: 2.201
Call Number UA @ lucian @ c:irua:71286 Serial 267
Permanent link to this record
 
 
Author Bogaerts, A.; Gijbels, R.; Serikov, V.V.
Title (up) Calculation of gas heating in direct current argon glow discharges Type A1 Journal article
Year 2000 Publication Journal of applied physics Abbreviated Journal J Appl Phys
Volume 87 Issue 12 Pages 8334-8344
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract
Address
Corporate Author Thesis
Publisher American Institute of Physics Place of Publication New York, N.Y. Editor
Language Wos 000087346400013 Publication Date 2002-07-26
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0021-8979; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.068 Times cited 63 Open Access
Notes Approved Most recent IF: 2.068; 2000 IF: 2.180
Call Number UA @ lucian @ c:irua:28327 Serial 268
Permanent link to this record
 
 
Author Bogaerts, A.; Temelkov, K.A.; Vuchkov, N.K.; Gijbels, R.
Title (up) Calculation of rate constants for asymmetric charge transfer, and their effect on relative sensitivity factors in glow discharge mass spectrometry Type A1 Journal article
Year 2007 Publication Spectrochimica acta: part B : atomic spectroscopy Abbreviated Journal Spectrochim Acta B
Volume 62 Issue 4 Pages 325-336
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Oxford Editor
Language Wos 000247551800001 Publication Date 2007-03-25
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0584-8547; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.241 Times cited 28 Open Access
Notes Approved Most recent IF: 3.241; 2007 IF: 2.957
Call Number UA @ lucian @ c:irua:64329 Serial 269
Permanent link to this record
 
 
Author Bogaerts, A.; Okhrimovskyy, A.; Gijbels, R.
Title (up) Calculation of the gas flow and its effect on the plasma characteristics for a modified Grimm-type glow discharge cell Type A1 Journal article
Year 2002 Publication Journal of analytical atomic spectrometry Abbreviated Journal J Anal Atom Spectrom
Volume 17 Issue Pages 1076-1082
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication London Editor
Language Wos 000177766400012 Publication Date 2002-09-09
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0267-9477;1364-5544; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.379 Times cited 39 Open Access
Notes Approved Most recent IF: 3.379; 2002 IF: 4.250
Call Number UA @ lucian @ c:irua:40191 Serial 270
Permanent link to this record
 
 
Author Bencs, L.
Title (up) Calculation of the spectral line profile broadening parameter in graphite furnace atomic absorption spectrometry Type A1 Journal article
Year 2008 Publication Canadian Journal Of Analytical Sciences And Spectroscopy Abbreviated Journal
Volume 53 Issue 2 Pages 52-58
Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Abstract A polynomial approach is applied for a number of data from the Posener-tables to calculate the values of the intensity distribution function of atomic absorption lines – H(a, 0.726a) – at the tabulated damping-parameter values with an error not worse than 0.044 %. For the resultant H(a, 0.726a) data, the ninth and sixth order polynomials can be fitted according to the damping parameter range of 0-2, and 2-10, respectively, which results in a minimal error of approximation. The derived functions are simply applicable to the calculation of any H(a, 0.726a) value belonging to a damping-parameter of any arbitrarily selected spectral line, implying the influence of Doppler- and Lorentz-broadening. The overall error of the described method is lower than 0.4 %.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000260130600002 Publication Date
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1205-6685 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:103094 Serial 7571
Permanent link to this record
 
 
Author Rivera Julio, J.
Title (up) Cálculos ab initio de sistemas 2D y de baja dimensionalidad Type Doctoral thesis
Year 2021 Publication Abbreviated Journal
Volume Issue Pages 137 p.
Keywords Doctoral thesis; Condensed Matter Theory (CMT)
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 Most recent IF: NA
Call Number UA @ admin @ c:irua:176996 Serial 6718
Permanent link to this record
 
 
Author Xu, B.; Milošević, M.V.; Peeters, F.M.
Title (up) Calorimetric properties of mesoscopic superconducting disks, rings, and cylinders Type A1 Journal article
Year 2010 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 81 Issue 6 Pages 064501,1-064501,10
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract The thermal signatures of superconductivity in mesoscopic disks, rings and cylinders are calculated within the Ginzburg-Landau theory. In an applied perpendicular magnetic field H the heat capacity of mesoscopic samples shows a strong dependence on the realized vortex state; discontinuities are found at the critical field for different vorticities, as well as at the superconducting-to-normal state transition. The same applies to the intermediate state of type-I superconductors. Even the subtle changes in the fluxoid distribution inside the sample leave clear signatures on heat capacity, which is particularly useful for fully three-dimensional samples whose interior is often inaccessible by magnetometry. The heat-capacity jump ΔC(H) at the critical temperature exhibits quasiperiodic modulations as a function of magnetic field. In mesoscopic superconducting rings, these oscillations provide calorimetric verification of the Little-Parks effect.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000274998100091 Publication Date 2010-02-01
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 17 Open Access
Notes ; We are grateful to O. Bourgeois for useful discussions. This work was supported by the Flemish Science Foundation (FWO-VI), the Interuniversity Attraction Poles (IAP) Program-Belgian State-Belgian Science Policy, ESF-JSPS NES program and the ESF-AQDJJ network. ; Approved Most recent IF: 3.836; 2010 IF: 3.774
Call Number UA @ lucian @ c:irua:81766 Serial 271
Permanent link to this record
 
 
Author Vega Ibañez, F.; Béché, A.; Verbeeck, J.
Title (up) Can a programmable phase plate serve as an aberration corrector in the transmission electron microscope (TEM)? Type A1 Journal article
Year 2022 Publication Microscopy and microanalysis Abbreviated Journal Microsc Microanal
Volume Issue Pages Pii S1431927622012260-10
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Current progress in programmable electrostatic phase plates raises questions about their usefulness for specific applications. Here, we explore different designs for such phase plates with the specific goal of correcting spherical aberration in the transmission electron microscope (TEM). We numerically investigate whether a phase plate could provide down to 1 angstrom ngstrom spatial resolution on a conventional uncorrected TEM. Different design aspects (fill factor, pixel pattern, symmetry) were evaluated to understand their effect on the electron probe size and current density. Some proposed designs show a probe size () down to 0.66 angstrom, proving that it should be possible to correct spherical aberration well past the 1 angstrom limit using a programmable phase plate consisting of an array of electrostatic phase-shifting elements.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000849975400001 Publication Date 2022-09-21
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1431-9276 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.8 Times cited 3 Open Access OpenAccess
Notes All authors acknowledge funding from the Flemish Research Fund under contract G042820N “Exploring adaptive optics in transmission electron microscopy”. J.V. acknowledges funding from the European Union’s Horizon 2020 Research Infrastructure – Integrating Activities for Advanced Communities under grant agreement No 823717 – ESTEEM3 and from the University of Antwerp through a TOP BOF project.; esteem3reported; esteem3jra Approved Most recent IF: 2.8
Call Number UA @ admin @ c:irua:190627 Serial 7134
Permanent link to this record
 
 
Author Khalilov, U.; Uljayev, U.; Mehmonov, K.; Nematollahi, P.; Yusupov, M.; Neyts, E.C.; Neyts, E.C.
Title (up) Can endohedral transition metals enhance hydrogen storage in carbon nanotubes? Type A1 Journal article
Year 2024 Publication International journal of hydrogen energy Abbreviated Journal
Volume 55 Issue Pages 640-610
Keywords A1 Journal article; Engineering sciences. Technology; Modelling and Simulation in Chemistry (MOSAIC); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract The safe and efficient use of hydrogen energy, which is in high demand worldwide today, requires efficient hydrogen storage. Despite significant advances in hydrogen storage using carbon-based nanomaterials, including carbon nanotubes (CNTs), efforts to substantially increase the storage capacity remain less effective. In this work, we demonstrate the effect of endohedral transition metal atoms on the hydrogen storage capacity of CNTs using reactive molecular dynamics simulations. We find that an increase in the volume fraction of endohedral nickel atoms leads to an increase in the concentration of physisorbed hydrogen molecules around single-walled CNTs (SWNTs) by approximately 1.6 times compared to pure SWNTs. The obtained results provide insight into the underlying mechanisms of how endohedral transition metal atoms enhance the hydrogen storage ability of SWNTs under nearly ambient conditions.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 001142427400001 Publication Date 2023-11-24
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0360-3199 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 7.2 Times cited Open Access Not_Open_Access
Notes Approved Most recent IF: 7.2; 2024 IF: 3.582
Call Number UA @ admin @ c:irua:202315 Serial 9006
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Author Shi, P.; Yu, K.; Niinemets, Ü.; Gielis, J.
Title (up) Can leaf shape be represented by the ratio of leaf width to length? Evidence from nine species of Magnolia and Michelia (Magnoliaceae) Type A1 Journal article
Year 2021 Publication Forests Abbreviated Journal Forests
Volume 12 Issue 1 Pages 41
Keywords A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL)
Abstract Leaf shape is closely related to economics of leaf support and leaf functions, including light interception, water use, and CO2 uptake, so correct quantification of leaf shape is helpful for studies of leaf structure/function relationships. There are some extant indices for quantifying leaf shape, including the leaf width/length ratio (W/L), leaf shape fractal dimension (FD), leaf dissection index, leaf roundness index, standardized bilateral symmetrical index, etc. W/L ratio is the simplest to calculate, and recent studies have shown the importance of the W/L ratio in explaining the scaling exponent of leaf dry mass vs. leaf surface area and that of leaf surface area vs. leaf length. Nevertheless, whether the W/L ratio could reflect sufficient geometrical information of leaf shape has been not tested. The FD might be the most accurate measure for the complexity of leaf shape because it can characterize the extent of the self-similarity and other planar geometrical features of leaf shape. However, it is unknown how strongly different indices of leaf shape complexity correlate with each other, especially whether W/L ratio and FD are highly correlated. In this study, the leaves of nine Magnoliaceae species (>140 leaves for each species) were chosen for the study. We calculated the FD value for each leaf using the box-counting approach, and measured leaf fresh mass, surface area, perimeter, length, and width. We found that FD is significantly correlated to the W/L ratio and leaf length. However, the correlation between FD and the W/L ratio was far stronger than that between FD and leaf length for each of the nine species. There were no strong correlations between FD and other leaf characteristics, including leaf area, ratio of leaf perimeter to area, fresh mass, ratio of leaf fresh mass to area, and leaf roundness index. Given the strong correlation between FD and W/L, we suggest that the simpler index, W/L ratio, can provide sufficient information of leaf shape for similarly-shaped leaves. Future studies are needed to characterize the relationships among FD and W/L in leaves with strongly varying shape, e.g., in highly dissected leaves.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000611074700001 Publication Date 2020-12-31
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1999-4907 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.951 Times cited Open Access OpenAccess
Notes Approved Most recent IF: 1.951
Call Number UA @ admin @ c:irua:174473 Serial 7572
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Author Ilgrande, C.; Christiaens, M.; Clauwaert, P.; Vlaeminck, S.E.; Boon, N.
Title (up) Can nitrification bring us to Mars? The role of microbial interactions on nitrogen recovery in Life Support Systems Type A2 Journal article
Year 2016 Publication Communications in agricultural and applied biological sciences Abbreviated Journal
Volume 81 Issue 1 Pages 74-79
Keywords A2 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
Abstract The development cost-effective life support technologies is a highly relevant topic for space biology. Currently, food and water supply during space flights is currently restricted by technical and economic constraints: daily water consumption of an average crew of 6 members is about 72 L, with an estimated cost of 2,160,000 d-1. To reduce these costs and sustain long term space missions, the European Space Agency designed MELiSSA, an artificial ecosystem based on 5 compartments for the recycling gas, liquid and solid waste (Lasseur et al., 2011). In the CI stage, crew and inedible solid waste is fermented by thermophilic anaerobic bacteria, producing volatile fatty acids (VFAs), CO2 and ammonium (NH4+). In the CII compartment the VFAs are converted into edible biomass, using the photoheterotroph Rodospirillum rubrum. Afterwards, the nitrifying CIII unit converts toxic levels of ammonia/ammonium into nitrate, which enables the effluent to be fed to the photoautotrohopic CIV stage, that provides food and oxygen for the crew (Godia et al., 2002). The highest nitrogen flux in a Life Support System is human urine. As nitrate is the preferred form of nitrogen fertilizer for hydroponic plant cultivation, urine nitrification is an essential process in the MELiSSA loop. The development of the Additional Unit for Water Treatment or Urine NItrification ConsortiUM (UNICUM) requires the selection and characterization of the microorganisms that will be used. The key microorganisms in the biological treatment of urine are heterotrophs, for the hydrolysis of urea into ammonia and carbon dioxide, Ammonia Oxidizing Bacteria (AOB), for the ammonia oxidation into nitrite and Nitrite Oxidizing Bacteria (NOB), for the conversion of nitrite into nitrate. The strains were selected according to predefined safety (non sporogenic and BSL 1) and metabolic (Ks, μmax) criteria. To evaluate functional consortia for space applications, ureolysis, nitritation and nitratation of the selected microorganisms and synthetic communities were elucidated. Additionally, urine is a matrix with a high salt content. Unhydrolised urine's EC ranges from 1.1 to 33.9 mS/cm, the mean value being 21.5 mS/cm (Marickar, 2010), while hydrolysed urine can reach higher levels, up to 75 mS/cm. This conditions could inhibit microbial metabolism, therefore the effect of salinity on urine nitrification was also elucidated.
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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 no
Call Number UA @ admin @ c:irua:151151 Serial 7573
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Author Verhulst, A.S.; Verreck, D.; Pourghaderi, M.A.; Van de Put, M.; Sorée, B.; Groeseneken, G.; Collaert, N.; Thean, A.V.-Y.
Title (up) Can p-channel tunnel field-effect transistors perform as good as n-channel? Type A1 Journal article
Year 2014 Publication Applied physics letters Abbreviated Journal Appl Phys Lett
Volume 105 Issue 4 Pages 043103
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract We show that bulk semiconductor materials do not allow perfectly complementary p- and n-channel tunnel field-effect transistors (TFETs), due to the presence of a heavy-hole band. When tunneling in p-TFETs is oriented towards the gate-dielectric, field-induced quantum confinement results in a highest-energy subband which is heavy-hole like. In direct-bandgap IIIV materials, the most promising TFET materials, phonon-assisted tunneling to this subband degrades the subthreshold swing and leads to at least 10x smaller on-current than the desired ballistic on-current. This is demonstrated with quantum-mechanical predictions for p-TFETs with tunneling orthogonal to the gate, made out of InP, In0.53Ga0.47As, InAs, and a modified version of In0.53Ga0.47As with an artificially increased conduction-band density-of-states. We further show that even if the phonon-assisted current would be negligible, the build-up of a heavy-hole-based inversion layer prevents efficient ballistic tunneling, especially at low supply voltages. For p-TFET, a strongly confined n-i-p or n-p-i-p configuration is therefore recommended, as well as a tensily strained line-tunneling configuration. (C) 2014 AIP Publishing LLC.
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Corporate Author Thesis
Publisher American Institute of Physics Place of Publication New York, N.Y. Editor
Language Wos 000341152600067 Publication Date 2014-07-30
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 8 Open Access
Notes ; This work was supported by imec's industrial application program. D. Verreck acknowledges the support of a Ph.D. stipend from the Institute for Promotion of Innovation through Science and Technology in Flanders (IWT). ; Approved Most recent IF: 3.411; 2014 IF: 3.302
Call Number UA @ lucian @ c:irua:134433 Serial 4587
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Author Reynaert, S.; D’Hose, T.; de Boeck, H.J.; Laorden, D.; Dult, L.; Verbruggen, E.; Nijs, I.
Title (up) Can permanent grassland soils with elevated organic carbon buffer negative effects of more persistent precipitation regimes on forage grass performance? Type A1 Journal article
Year 2024 Publication The science of the total environment Abbreviated Journal
Volume 918 Issue Pages 170623-15
Keywords A1 Journal article; Plant and Ecosystems (PLECO) – Ecology in a time of change
Abstract Agricultural practices enhancing soil organic carbon (SOC) show potential to buffer negative effects of climate change on forage grass performance. We tested this by subjecting five forage grass varieties differing in fodder quality and drought/flooding resistance to increased persistence in summer precipitation regimes (PR) across sandy and sandy-loam soils from either permanent (high SOC) or temporary grasslands (low SOC) in adjacent parcels. Over the course of two consecutive summers, monoculture mesocosms were subjected to rainy/dry weather alternation either every 3 days or every 30 days, whilst keeping total precipitation equal. Increased PR persistence induced species-specific drought damage and productivity declines. Soils from permanent grasslands with elevated SOC buffered plant quality, but buffering effects of SOC on drought damage, nutrient availability and yield differed between texture classes. In the more persistent PR, Festuca arundinacea FERMINA was the most productive species but had the lowest quality under both ample water supply and mild soil drought, whilst under the most intense soil droughts, Festulolium FESTILO maintained the highest yields. The hybrid Lolium × boucheanum kunth MELCOMBI had intermediate productivity and both Lolium perenne varieties showed the lowest yields under soil drought, but the highest forage quality (especially the tetraploid variety MELFORCE). Performance varied with plant maturity stage and across seasons/years and was driven by altered water and nutrient availability and related nitrogen nutrition among species during drought and upon rewetting. Moreover, whilst permanent grassland soils showed the most consistent positive effects on plant performance, their available water capacity also declined under increased PR persistence. We conclude that permanent grassland soils with historically elevated SOC likely buffer negative effects of increasing summer weather persistence on forage grass performance, but may also be more sensitive to degradation under climate change.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 001183615800001 Publication Date 2024-02-04
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0048-9697; 1879-1026 ISBN Additional Links UA library record; WoS full record
Impact Factor Times cited Open Access
Notes Approved no
Call Number UA @ admin @ c:irua:204498 Serial 9191
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Author Zhang, Y.-R.; Van Laer, K.; Neyts, E.C.; Bogaerts, A.
Title (up) Can plasma be formed in catalyst pores? A modeling investigation Type A1 Journal article
Year 2016 Publication Applied catalysis : B : environmental Abbreviated Journal Appl Catal B-Environ
Volume 185 Issue 185 Pages 56-67
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract tWe investigate microdischarge formation inside catalyst pores by a two-dimensional fluid model forvarious pore sizes in the m-range and for various applied voltages. Indeed, this is a poorly understoodphenomenon in plasma catalysis. The calculations are performed for a dielectric barrier discharge inhelium, at atmospheric pressure. The electron and ion densities, electron temperature, electric field andpotential, as well as the electron impact ionization and excitation rate and the densities of excited plasmaspecies, are examined for a better understanding of the characteristics of the plasma inside a pore. Theresults indicate that the pore size and the applied voltage are critical parameters for the formation of amicrodischarge inside a pore. At an applied voltage of 20 kV, our calculations reveal that the ionizationmainly takes place inside the pore, and the electron density shows a significant increase near and inthe pore for pore sizes larger than 200m, whereas the effect of the pore on the total ion density isevident even for 10m pores. When the pore size is fixed at 30m, the presence of the pore has nosignificant influence on the plasma properties at an applied voltage of 2 kV. Upon increasing the voltage,the ionization process is enhanced due to the strong electric field and high electron temperature, andthe ion density shows a remarkable increase near and in the pore for voltages above 10 kV. These resultsindicate that the plasma species can be formed inside pores of structured catalysts (in the m range),and they may interact with the catalyst surface, and affect the plasma catalytic process.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000369452000006 Publication Date 2015-12-11
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 75 Open Access
Notes This work was supported by the Fund for Scientific ResearchFlanders (FWO) (Grant no. G.0217.14N), the National Natural Sci-ence Foundation of China (Grant no. 11405019), and the ChinaPostdoctoral Science Foundation (Grant no. 2015T80244). Theauthors are very grateful to V. Meynen for the useful discussions oncatalysts. This work was carried out in part using the Turing HPCinfrastructure at the CalcUA core facility of the Universiteit Antwer-pen, a division of the Flemish Supercomputer Center VSC, fundedby the Hercules Foundation, the Flemish Government (departmentEWI) and the University of Antwerp. Approved Most recent IF: 9.446
Call Number c:irua:129808 Serial 3984
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Author Adams, F.; Adriaens, A.; Bogaerts, A.
Title (up) Can plasma spectrochemistry assist in improving the accuracy of chemical analysis? Type A1 Journal article
Year 2002 Publication Analytica chimica acta Abbreviated Journal Anal Chim Acta
Volume 456 Issue Pages 63-75
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Amsterdam Editor
Language Wos 000174676000007 Publication Date 2002-10-14
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0003-2670; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.95 Times cited 6 Open Access
Notes Approved Most recent IF: 4.95; 2002 IF: 2.114
Call Number UA @ lucian @ c:irua:38375 Serial 272
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Author Volykhov, A.A.; Sanchez-Barriga, J.; Batuk, M.; Callaert, C.; Hadermann, J.; Sirotina, A.P.; Neudachina, V.S.; Belova, A.I.; Vladimirova, N.V.; Tamm, M.E.; Khmelevsky, N.O.; Escudero, C.; Perez-Dieste, V.; Knop-Gericke, A.; Yashina, L.V.
Title (up) Can surface reactivity of mixed crystals be predicted from their counterparts? A case study of (Bi1-xSbx)2Te3 topological insulators Type A1 Journal article
Year 2018 Publication Journal of materials chemistry C : materials for optical and electronic devices Abbreviated Journal J Mater Chem C
Volume 6 Issue 33 Pages 8941-8949
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract The behavior of ternary mixed crystals or solid solutions and its correlation with the properties of their binary constituents is of fundamental interest. Due to their unique potential for application in future information technology, mixed crystals of topological insulators with the spin-locked, gapless states on their surfaces attract huge attention of physicists, chemists and material scientists. (Bi1-xSbx)(2)Te-3 solid solutions are among the best candidates for spintronic applications since the bulk carrier concentration can be tuned by varying x to obtain truly bulk-insulating samples, where the topological surface states largely contribute to the transport and the realization of the surface quantum Hall effect. As this ternary compound will be evidently used in the form of thin-film devices its chemical stability is an important practical issue. Based on the atomic resolution HAADF-TEM and EDX data together with the XPS results obtained both ex situ and in situ, we propose an atomistic picture of the mixed crystal reactivity compared to that of its binary constituents. We find that the surface reactivity is determined by the probability of oxygen attack on the Te-Sb bonds, which is directly proportional to the number of Te atoms bonded to at least one Sb atom. The oxidation mechanism includes formation of an amorphous antimony oxide at the very surface due to Sb diffusion from the first two quintuple layers, electron tunneling from the Fermi level of the crystal to oxygen, oxygen ion diffusion to the crystal, and finally, slow Te oxidation to the +4 oxidation state. The oxide layer thickness is limited by the electron transport, and the overall process resembles the Cabrera-Mott mechanism in metals. These observations are critical not only for current understanding of the chemical reactivity of complex crystals, but also to improve the performance of future spintronic devices based on topological materials.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000443279300007 Publication Date 2018-07-20
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2050-7526; 2050-7534 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 5.256 Times cited 3 Open Access Not_Open_Access
Notes ; The authors acknowledge financial support within the bilateral program "Russian-German Laboratory at BESSY II''. We thank Helmholtz-Zentrum Berlin for granting access to the beamlines RGBL, UE112-PGM2a and ISISS. Support of ALBA staff during measurements at the CIRCE beamline is gratefully acknowledged. We thank Dr Ivan Bobrikov for support in the XRD measurements and Daria Tsukanova for the participation in crystal preparation and XPS measurements. A. Volykhov thanks RSF (grant 18-73-00248) for financial support. A. I. Belova acknowledges support from the G-RISC Centre of Excellence. The work was supported by Helmholtz Gemeinschaft (Grant No. HRJRG-408) and RFBR (grant 14-03-31518). J. H. and C. C. acknowledge support from the University of Antwerp through the BOF grant 31445. ; Approved Most recent IF: 5.256
Call Number UA @ lucian @ c:irua:153647 Serial 5080
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Author Khalilov, U.; Neyts, E.C.; Pourtois, G.; van Duin, A.C.T.
Title (up) Can we control the thickness of ultrathin silica layers by hyperthermal silicon oxidation at room temperature? Type A1 Journal article
Year 2011 Publication The journal of physical chemistry: C : nanomaterials and interfaces Abbreviated Journal J Phys Chem C
Volume 115 Issue 50 Pages 24839-24848
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract Using reactive molecular dynamics simulations by means of the ReaxFF potential, we studied the growth mechanism of ultrathin silica (SiO2) layers during hyperthermal oxidation at room temperature. Oxidation of Si(100){2 × 1} surfaces by both atomic and molecular oxygen was investigated in the energy range 15 eV. The oxidation mechanism, which differs from thermal oxidation, is discussed. In the case of oxidation by molecular O2, silica is quickly formed and the thickness of the formed layers remains limited compared to oxidation by atomic oxygen. The Si/SiO2 interfaces are analyzed in terms of partial charges and angle distributions. The obtained structures of the ultrathin SiO2 films are amorphous, including some intrinsic defects. This study is important for the fabrication of silica-based devices in the micro- and nanoelectronics industry, and more specifically for the fabrication of metal oxide semiconductor devices.
Address
Corporate Author Thesis
Publisher Place of Publication Washington, D.C. Editor
Language Wos 000297947700050 Publication Date 2011-11-16
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 36 Open Access
Notes Approved Most recent IF: 4.536; 2011 IF: 4.805
Call Number UA @ lucian @ c:irua:94303 Serial 273
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