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Author Lioutas, C.B.; Manolikas, C.; Van Tendeloo, G.; van Landuyt, J.
Title A 2a2b3c superstructure in hexagonal NiS1-x: a study by means of electron diffraction and HREM Type A1 Journal article
Year 1993 Publication Journal of crystal growth Abbreviated Journal J Cryst Growth
Volume 126 Issue Pages 457-465
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Amsterdam Editor
Language Wos A1993KH92500029 Publication Date 0000-00-00
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN (down) 0022-0248 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.698 Times cited 4 Open Access
Notes Approved no
Call Number UA @ lucian @ c:irua:7499 Serial 9
Permanent link to this record
 
 
Author Goessens, C.; Schryvers, D.; van Landuyt, J.; Amelinckx, S.; Verbeeck, A.; de Keyzer, R.
Title Characterization of crystal defects in mixed tabular silver halide grains by conventional transmission electron microscopy and X-ray diffractometry Type A1 Journal article
Year 1991 Publication Journal of crystal growth Abbreviated Journal J Cryst Growth
Volume 110 Issue Pages 930-941
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Amsterdam Editor
Language Wos A1991FL02100033 Publication Date 0000-00-00
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN (down) 0022-0248 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.698 Times cited 40 Open Access
Notes Approved
Call Number UA @ lucian @ c:irua:48349 Serial 321
Permanent link to this record
 
 
Author Volkov, V.V.; van Landuyt, J.; Marushkin, K.M.; Gijbels, R.; Férauge, C.; Vasilyev, M.G.; Shelyakin, A.A.; Sokolovsky, A.A.
Title Characterization of LPE grown InGaAsP/InP heterostructures: IR-LED at 1.66 μm used for the remote monitoring of methane gas Type A1 Journal article
Year 1997 Publication Journal of crystal growth Abbreviated Journal J Cryst Growth
Volume 173 Issue Pages 285-296
Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Amsterdam Editor
Language Wos A1997XC98100008 Publication Date 0000-00-00
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN (down) 0022-0248 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.751 Times cited 4 Open Access
Notes Approved Most recent IF: 1.751; 1997 IF: 1.259
Call Number UA @ lucian @ c:irua:20459 Serial 324
Permanent link to this record
 
 
Author Goessens, C.; Schryvers, D.; van Landuyt, J.; de Keyzer, R.
Title Electron microscopical investigation of tetrahedral-shaped AgBr microcrystals Type A1 Journal article
Year 1997 Publication Journal of crystal growth Abbreviated Journal J Cryst Growth
Volume 172 Issue Pages 426-432
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Amsterdam Editor
Language Wos A1997WL65300018 Publication Date 0000-00-00
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN (down) 0022-0248 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.751 Times cited 15 Open Access
Notes Approved Most recent IF: 1.751; 1997 IF: 1.259
Call Number UA @ lucian @ c:irua:21345 Serial 942
Permanent link to this record
 
 
Author Frangis, N.; Stoemenos, J.; van Landuyt, J.; Nejim, A.; Hemment, P.L.F.
Title The formation of 3C-SiC in crystalline Si by carbon implantation at 9500C and annealing: a structural study Type A1 Journal article
Year 1997 Publication Journal of crystal growth Abbreviated Journal J Cryst Growth
Volume 181 Issue Pages 218-228
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Amsterdam Editor
Language Wos A1997YD52700007 Publication Date 0000-00-00
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN (down) 0022-0248 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.751 Times cited 9 Open Access
Notes Approved Most recent IF: 1.751; 1997 IF: 1.259
Call Number UA @ lucian @ c:irua:21415 Serial 1253
Permanent link to this record
 
 
Author Frangis, N.; van Landuyt, J.; Kaltsas, G.; Travlos, A.; Nassiopoulos, A.G.
Title Growth of erbium-silicide films on (100) silicon as characterised by electron microscopy and diffraction Type A1 Journal article
Year 1997 Publication Journal of crystal growth Abbreviated Journal J Cryst Growth
Volume 172 Issue Pages 175-182
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Amsterdam Editor
Language Wos A1997WL48900024 Publication Date 0000-00-00
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN (down) 0022-0248 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.751 Times cited 29 Open Access
Notes Approved Most recent IF: 1.751; 1997 IF: 1.259
Call Number UA @ lucian @ c:irua:21402 Serial 1394
Permanent link to this record
 
 
Author Cloots, R.; Rulmont, A.; Krekels, T.; Van Tendeloo, G.; Diko, P.; Ausloos, M.
Title Investigation by electron diffraction microscopy of (RE)BaCuOS polycrystalline ceramic compounds: interpretation of unexpected superstructures and influence of secondary phases Type A1 Journal article
Year 1993 Publication Journal of crystal growth Abbreviated Journal J Cryst Growth
Volume 129 Issue Pages 394-404
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Amsterdam Editor
Language Wos A1993KY53000003 Publication Date 0000-00-00
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN (down) 0022-0248 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.698 Times cited 5 Open Access
Notes Approved no
Call Number UA @ lucian @ c:irua:7503 Serial 1726
Permanent link to this record
 
 
Author Bernaerts, D.; Amelinckx, S.; Van Tendeloo, G.; van Landuyt, J.
Title Microstructure and formation mechanisms of cylindrical and conical scrolls of the misfit layer compounds PbNbnS2n+1 Type A1 Journal article
Year 1997 Publication Journal of crystal growth Abbreviated Journal J Cryst Growth
Volume 172 Issue Pages 433-439
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Amsterdam Editor
Language Wos A1997WL65300019 Publication Date 0000-00-00
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN (down) 0022-0248 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.751 Times cited 23 Open Access
Notes Approved Most recent IF: 1.751; 1997 IF: 1.259
Call Number UA @ lucian @ c:irua:21405 Serial 2051
Permanent link to this record
 
 
Author Stosic, D.; Stosic, D.; Ludermir, T.; Stosic, B.; Milošević, M.V.
Title GPU-advanced 3D electromagnetic simulations of superconductors in the Ginzburg-Landau formalism Type A1 Journal article
Year 2016 Publication Journal of computational physics Abbreviated Journal J Comput Phys
Volume 322 Issue 322 Pages 183-198
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Ginzburg-Landau theory is one of the most powerful phenomenological theories in physics, with particular predictive value in superconductivity. The formalism solves coupled nonlinear differential equations for both the electronic and magnetic responsiveness of a given superconductor to external electromagnetic excitations. With order parameter varying on the short scale of the coherence length, and the magnetic field being long-range, the numerical handling of 3D simulations becomes extremely challenging and time-consuming for realistic samples. Here we show precisely how one can employ graphics-processing units (GPUs) for this type of calculations, and obtain physics answers of interest in a reasonable time-frame – with speedup of over 100x compared to best available CPU implementations of the theory on a 2563grid. (C) 2016 Elsevier Inc. All rights reserved.
Address
Corporate Author Thesis
Publisher Place of Publication New York Editor
Language Wos 000381585100010 Publication Date 2016-06-28
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN (down) 0021-9991 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.744 Times cited 4 Open Access
Notes ; This work was supported through research grants from Brazilian agencies CNPq (306719/2012-6, 140840/2016-8) and FACEPE (IBPG-0510-1.03/15), BOF-UA, and the Research Foundation-Flanders (FWO-Vlaanderen). ; Approved Most recent IF: 2.744
Call Number UA @ lucian @ c:irua:137115 Serial 4354
Permanent link to this record
 
 
Author Van de Put, M.L.; Sorée, B.; Magnus, W.
Title Efficient solution of the Wigner-Liouville equation using a spectral decomposition of the force field Type A1 Journal article
Year 2017 Publication Journal of computational physics Abbreviated Journal J Comput Phys
Volume 350 Issue Pages 314-325
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract The Wigner-Liouville equation is reformulated using a spectral decomposition of the classical force field instead of the potential energy. The latter is shown to simplify the Wigner-Liouville kernel both conceptually and numerically as the spectral force Wigner-Liouville equation avoids the numerical evaluation of the highly oscillatory Wigner kernel which is nonlocal in both position and momentum. The quantum mechanical evolution is instead governed by a term local in space and non-local in momentum, where the non locality in momentum has only a limited range. An interpretation of the time evolution in terms of two processes is presented; a classical evolution under the influence of the averaged driving field, and a probability-preserving quantum-mechanical generation and annihilation term. Using the inherent stability and reduced complexity, a direct deterministic numerical implementation using Chebyshev and Fourier pseudo-spectral methods is detailed. For the purpose of illustration, we present results for the time evolution of a one-dimensional resonant tunneling diode driven out of equilibrium. (C) 2017 Elsevier Inc. All rights reserved.
Address
Corporate Author Thesis
Publisher Place of Publication New York Editor
Language Wos 000413379000016 Publication Date 2017-09-02
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN (down) 0021-9991 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.744 Times cited 5 Open Access
Notes ; ; Approved Most recent IF: 2.744
Call Number UA @ lucian @ c:irua:146630 Serial 4780
Permanent link to this record
 
 
Author Herregods, S.J.F.; Mertens, M.; Van Havenbergh, K.; Van Tendeloo, G.; Cool, P.; Buekenhoudt, A.; Meynen, V.
Title Controlling pore size and uniformity of mesoporous titania by early stage low temperature stabilization Type A1 Journal article
Year 2013 Publication Journal of colloid and interface science Abbreviated Journal J Colloid Interf Sci
Volume 391 Issue Pages 36-44
Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Laboratory of adsorption and catalysis (LADCA)
Abstract The control of the formation process during and after self-assembly is of utmost importance to achieve well structured, controlled template-assisted mesoporous titania materials with the desired properties for various applications via the evaporation induced self-assembly method (EISA). The present paper reports on the large influence of the thermal stabilization and successive template removal on the pore structure of a mesostructured TiO2 material using the diblock copolymer Brij 58 as surfactant. A controlled thermal stabilization (temperature and duration) allows one to tailor the final pore size and uniformity much more precise by influencing the self-assembly of the template. Moreover, also the successive thermal template removal needs to be controlled in order to avoid a structural collapse. N2-sorption, TGA, TEM, FT-Raman spectroscopy, and small angle wide angle XRD have been used to follow the crystal growth and mesostructure organization after thermal stabilization and after thermal template removal, revealing its effect on the final pore structure.
Address
Corporate Author Thesis
Publisher Place of Publication New York, N.Y. Editor
Language Wos 000312039000006 Publication Date 2012-10-12
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN (down) 0021-9797; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.233 Times cited 12 Open Access
Notes Approved Most recent IF: 4.233; 2013 IF: 3.552
Call Number UA @ lucian @ c:irua:101757 Serial 506
Permanent link to this record
 
 
Author Liu, J.; Jin, J.; Deng, Z.; Huang, S.Z.; Hu, Z.Y.; Wang, L.; Wang, C.; Chen, L.H.; Li, Y.; Van Tendeloo, G.; Su, B.L.;
Title Tailoring CuO nanostructures for enhanced photocatalytic property Type A1 Journal article
Year 2012 Publication Journal of colloid and interface science Abbreviated Journal J Colloid Interf Sci
Volume 384 Issue Pages 1-9
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract We report on one-pot synthesis of various morphologies of CuO nanostructures. PEG200 as a structure directing reagent under the synergism of alkalinity by hydrothermal method has been employed to tailor the morphology of CuO nanostructures. The CuO products have been characterized by XRD, SEM, and TEM. The morphologies of the CuO nanostructures can be tuned from 10 (nanoseeds, nanoribbons) to 2D (nanoleaves) and to 3D (shuttle-like, shrimp-like, and nanoflowers) by changing the volume of PEG200 and the alkalinity in the reaction system. At neutral and relatively low alkalinity (OH-/Cu2+ <= 3), the addition of PEG200 can strongly influence the morphologies of the CuO nanostructures. At high alkalinity (OH/Cu2+ >= 4), PEG200 has no influence on the morphology of the CuO nanostructure. The different morphologies of the CuO nanostructures have been used for the photodecomposition of the pollutant rhodamine B (RhB) in water. The photocatalytic activity has been correlated with the different nanostructures of CuO. The 10 CuO nanoribbons exhibit the best performance on the RhB photodecomposition because of the exposed high surface energy {-121} crystal plane. The photocatalytic results show that the high energy surface planes of the CuO nanostructures mostly affect the photocatalytic activity rather than the morphology of the CuO nanostructures. Our synthesis method also shows it is possible to control the morphologies of nanostructures in a simple way. (C) 2012 Elsevier Inc. All rights reserved.
Address
Corporate Author Thesis
Publisher Place of Publication New York, N.Y. Editor
Language Wos 000308337700001 Publication Date 2012-06-27
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN (down) 0021-9797; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.233 Times cited 105 Open Access
Notes Approved Most recent IF: 4.233; 2012 IF: 3.172
Call Number UA @ lucian @ c:irua:101796 Serial 3468
Permanent link to this record
 
 
Author Li, Y.; Yang, X.-Y.; Rooke, J.; Van Tendeloo, G.; Su, B.-L.
Title Ultralong Cu(OH)(2) and CuO nanowire bundles: PEG200-directed crystal growth for enhanced photocatalytic performance Type A1 Journal article
Year 2010 Publication Journal of colloid and interface science Abbreviated Journal J Colloid Interf Sci
Volume 348 Issue 2 Pages 303-312
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Ultralong Cu(OH)(2) and CuO nanowire bundles with lengths ranging from tens to hundreds of micrometers have been selectively synthesized on a large scale by a facile solution-phase method, using PEG200 as growth-directing agent. The growth mechanisms were investigated by monitoring the nanowire evolution process. The results showed that under the action of PEG200 molecules, the Cu(OH)(2) and CuO nanowires were first formed through oriented attachment of colloidal particles, then through side self-assembly leading to nanowire bundles, and finally to CuO nanoleaves. PEG200 plays a critical role in the synthesis of nanowires as it not only prevents the random aggregation of colloidal particles toward CuO nanoleaves but also helps to orientate nanowire growth by the coalescence and alignment in one direction of the colloidal particles. The concentration of OH(-) in the reaction system is also important for nanowire growth. In the absence of PEG200, nanoleaves are formed by an Ostwald ripening process. The band-gap value estimated from a UV-Vis absorption spectrum of CuO nanowire bundles is 2.32 eV. The photodegradation of a model pollutant, rhodamine B, by CuO nanowires and nanoleaves was compared with commercial nanopowders, showing that the as-synthesized ultralong CuO polycrystalline nanowire bundles have an enhanced photocatalytic activity with 87% decomposition of rhodamine B after an 8-h reaction, which was much higher than that of single-crystal nanoleaves (61%) and commercial nanopowders (32%). The origin of the high photocatalytic activity of these new polycrystalline CuO nanowire bundles has been discussed. This present work reveals that the (0 0 2) crystallographic surface is more favorable for photocatalytic decomposition of organic compounds and that these ultralong CuO nanowire bundles are potential candidates for photocatalysts in wastewater treatment. (C) 2010 Elsevier Inc. All rights reserved.
Address
Corporate Author Thesis
Publisher Place of Publication New York, N.Y. Editor
Language Wos 000279968700002 Publication Date 2010-04-26
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN (down) 0021-9797; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.233 Times cited 70 Open Access
Notes Approved Most recent IF: 4.233; 2010 IF: 3.068
Call Number UA @ lucian @ c:irua:95589 Serial 3795
Permanent link to this record
 
 
Author Zhao, H.; Li, C.-F.; Hu, Z.-Y.; Liu, J.; Li, Y.; Hu, J.; Van Tendeloo, G.; Chen, L.-H.; Su, B.-L.
Title Size effect of bifunctional gold in hierarchical titanium oxide-gold-cadmium sulfide with slow photon effect for unprecedented visible-light hydrogen production Type A1 Journal article
Year 2021 Publication Journal Of Colloid And Interface Science Abbreviated Journal J Colloid Interf Sci
Volume 604 Issue Pages 131-139
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Gold nanoparticles (Au NPs) with surface plasmonic resonance (SPR) effect and excellent internal electron transfer ability have widely been combined with semiconductors for photocatalysis. However, the in-depth effects of Au NPs in multicomponent photocatalysts have not been completely understood. Herein, ternary titanium oxide-gold-cadmium sulfide (TiO2-Au-CdS, TAC) photocatalysts, based on hierarchical TiO2 inverse opal photonic crystal structure with different Au NPs sizes have been designed to reveal the SPR effect and internal electron transfer of Au NPs in the presence of slow photon effect. It appears that the SPR effect and internal electron transfer ability of Au NPs, depending on their sizes, play a synergistic effect on the photocatalytic enhancement. The ternary TAC-10 photocatalyst with – 10 nm Au NPs demonstrates an unprecedented hydrogen evolution rate of 47.6 mmolh-1g 1 under visible-light, demonstrating- 48% enhancement comparing to the sample without slow photon effect. In particular, a 9.83% apparent quantum yield under 450 nm monochromatic light is achieved for TAC-10. A model is proposed and finite-difference time-domain (FDTD) simulations reveal the size influence of Au NPs in ternary TAC photocatalysts. This work suggests that the rational design of bifunctional Au NPs coupling with slow photon effect could largely promote hydrogen production from visible-light driven water splitting. (c) 2021 Elsevier Inc. All rights reserved.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000704428600004 Publication Date 2021-07-01
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN (down) 0021-9797 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.233 Times cited Open Access Not_Open_Access
Notes Approved Most recent IF: 4.233
Call Number UA @ admin @ c:irua:182531 Serial 6886
Permanent link to this record
 
 
Author van de Vijver, F.L.; Verbueken, A.H.; Visser, W.J.; Van Grieken, R.E.; de Broe, M.E.
Title Localisation of aluminium and iron by histochemical and laster microprobe mass analytical techniques in bone marrow cells of chronic hemodialysis patients Type L1 Letter to the editor
Year 1984 Publication Journal of clinical pathology Abbreviated Journal
Volume 37 Issue 7 Pages 837-838
Keywords L1 Letter to the editor; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Laboratory Experimental Medicine and Pediatrics (LEMP)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos A1984TA05200027 Publication Date 2007-06-09
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN (down) 0021-9746 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:116710 Serial 8178
Permanent link to this record
 
 
Author Mao, D.; Lookman, R.; van de Weghe, H.; Vanermen, G.; de Brucker, N.; Diels, L.
Title Aqueous solubility calculation for petroleum mixtures in soil using comprehensive two-dimensional gas chromatography analysis data Type A1 Journal article
Year 2009 Publication Journal of chromatography : A Abbreviated Journal
Volume 1216 Issue 14 Pages 2873-2880
Keywords A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL)
Abstract An assessment of aqueous solubility (leaching potential) of soil contaminations with petroleum hydrocarbons (TPH) is important in the context of the evaluation of (migration) risks and soil/groundwater remediation. Field measurements using monitoring wells often overestimate real TPH concentrations in case of presence of pure oil in the screened interval of the well. This paper presents a method to calculate TPH equilibrium concentrations in groundwater using soil analysis by high-performance liquid chromatography followed by comprehensive two-dimensional gas chromatography (HPLCGCXGC). The oil in the soil sample is divided into 79 defined hydrocarbon fractions on two GCXGC color plots. To each of these fractions a representative water solubility is assigned. Overall equilibrium water solubility of the non-aqueous phase liquid (NAPL) present in the sample and the water phase's chemical composition (in terms of the 79 fractions defined) are then calculated using Raoult's law. The calculation method was validated using soil spiked with 13 different TPH mixtures and 1 field-contaminated soil. Measured water solubilities using a column recirculation equilibration experiment agreed well to calculated equilibrium concentrations and water phase TPH composition.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000264730900020 Publication Date 2008-08-27
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN (down) 0021-9673 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:76414 Serial 7492
Permanent link to this record
 
 
Author Mao, D.; Lookman, R.; van de Weghe, H.; Vanermen, G.; de Brucker, N.; Diels, L.
Title Detailed analysis of petroleum hydrocarbon attenuation in biopiles by high-performance liquid chromatography followed by comprehensive two-dimensional gas chromatography Type A1 Journal article
Year 2009 Publication Journal of chromatography : A Abbreviated Journal
Volume 1216 Issue 9 Pages 1524-1527
Keywords A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL)
Abstract Enhanced bioremediation of petroleum hydrocarbons in two biopiles was quantified by high-performance liquid chromatography (HPLC) followed by comprehensive two-dimensional gas chromatography (GCXGC). The attenuation of 34 defined hydrocarbon classes was calculated by HPLCGCXGC analysis of representative biopile samples at start-up and after 18 weeks of biopile operation. In general, a-cyclic alkanes were most efficiently removed from the biopiles, followed by monoaromatic hydrocarbons. Cycloalkanes and polycyclic aromatic hydrocarbons (PAHs) were more resistant to degradation. A-cyclic biomarkers farnesane, trimethyl-C13, norpristane, pristane and phytane dropped to only about 10% of their initial concentrations. On the other hand, C29C31 hopane concentrations remained almost unaltered after 18 weeks of biopile operation, confirming their resistance to biodegradation. They are thus reliable indicators to estimate attenuation potential of petroleum hydrocarbons in biopile processed soils.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000263610500035 Publication Date 2009-01-07
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN (down) 0021-9673 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:76320 Serial 7769
Permanent link to this record
 
 
Author Dirtu, A.C.; Ravindra, K.; Roosens, L.; Van Grieken, R.; Neels, H.; Blust, R.; Covaci, A.
Title Fast analysis of decabrominated diphenyl ether using low-pressure gas chromatography.electron-capture negative ionization mass spectrometry Type A1 Journal article
Year 2008 Publication Journal of chromatography : A Abbreviated Journal
Volume 1186 Issue Pages 295-301
Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Toxicological Centre
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000254884700024 Publication Date 2007-07-23
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN (down) 0021-9673 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:67546 Serial 7957
Permanent link to this record
 
 
Author Singh, S.K.; Neek-Amal, M.; Peeters, F.M.
Title Electronic properties of graphene nano-flakes : energy gap, permanent dipole, termination effect, and Raman spectroscopy Type A1 Journal article
Year 2014 Publication The journal of chemical physics Abbreviated Journal J Chem Phys
Volume 140 Issue 7 Pages 074304-74309
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract The electronic properties of graphene nano-flakes (GNFs) with different edge passivation are investigated by using density functional theory. Passivation with F and H atoms is considered: C-Nc X-Nx (X = F or H). We studied GNFs with 10 < N-c < 56 and limit ourselves to the lowest energy configurations. We found that: (i) the energy difference Delta between the highest occupied molecular orbital and the lowest unoccupied molecular orbital decreases with N-c, (ii) topological defects (pentagon and heptagon) break the symmetry of the GNFs and enhance the electric polarization, (iii) the mutual interaction of bilayer GNFs can be understood by dipole-dipole interaction which were found sensitive to the relative orientation of the GNFs, (iv) the permanent dipoles depend on the edge terminated atom, while the energy gap is independent of it, and (v) the presence of heptagon and pentagon defects in the GNFs results in the largest difference between the energy of the spin-up and spin-down electrons which is larger for the H-passivated GNFs as compared to F-passivated GNFs. Our study shows clearly the effect of geometry, size, termination, and bilayer on the electronic properties of small GNFs. This study reveals important features of graphene nano-flakes which can be detected using Raman spectroscopy. (C) 2014 AIP Publishing LLC.
Address
Corporate Author Thesis
Publisher Place of Publication New York, N.Y. Editor
Language Wos 000332039900020 Publication Date 2014-02-20
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN (down) 0021-9606;1089-7690; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.965 Times cited 30 Open Access
Notes ; This work was supported by the EU-Marie Curie IIF postdoctoral Fellowship/ 299855 (for M. N.-A.), the ESF-EuroGRAPHENE project CONGRAN, the Flemish Science Foundation (FWO-Vl), and the Methusalem Foundation of the Flemish Government. ; Approved Most recent IF: 2.965; 2014 IF: 2.952
Call Number UA @ lucian @ c:irua:115857 Serial 1002
Permanent link to this record
 
 
Author Bal, K.M.; Neyts, E.C.
Title On the time scale associated with Monte Carlo simulations Type A1 Journal article
Year 2014 Publication The journal of chemical physics Abbreviated Journal J Chem Phys
Volume 141 Issue 20 Pages 204104
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract Uniform-acceptance force-bias Monte Carlo (fbMC) methods have been shown to be a powerful technique to access longer timescales in atomistic simulations allowing, for example, phase transitions and growth. Recently, a new fbMC method, the time-stamped force-bias Monte Carlo (tfMC) method, was derived with inclusion of an estimated effective timescale; this timescale, however, does not seem able to explain some of the successes the method. In this contribution, we therefore explicitly quantify the effective timescale tfMC is able to access for a variety of systems, namely a simple single-particle, one-dimensional model system, the Lennard-Jones liquid, an adatom on the Cu(100) surface, a silicon crystal with point defects and a highly defected graphene sheet, in order to gain new insights into the mechanisms by which tfMC operates. It is found that considerable boosts, up to three orders of magnitude compared to molecular dynamics, can be achieved for solid state systems by lowering of the apparent activation barrier of occurring processes, while not requiring any system-specific input or modifications of the method. We furthermore address the pitfalls of using the method as a replacement or complement of molecular dynamics simulations, its ability to explicitly describe correct dynamics and reaction mechanisms, and the association of timescales to MC simulations in general.
Address
Corporate Author Thesis
Publisher Place of Publication New York, N.Y. Editor
Language Wos 000345641400005 Publication Date 2014-11-26
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN (down) 0021-9606;1089-7690; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.965 Times cited 26 Open Access
Notes Approved Most recent IF: 2.965; 2014 IF: 2.952
Call Number UA @ lucian @ c:irua:120667 Serial 2459
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Author Euan-Diaz, E.; Herrera-Velarde, S.; Misko, V.R.; Peeters, F.M.; Castaneda-Priego, R.
Title Structural transitions and long-time self-diffusion of interacting colloids confined by a parabolic potential Type A1 Journal article
Year 2015 Publication The journal of chemical physics Abbreviated Journal J Chem Phys
Volume 142 Issue 142 Pages 024902
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract We report on the ordering and dynamics of interacting colloidal particles confined by a parabolic potential. By means of Brownian dynamics simulations, we find that by varying the magnitude of the trap stiffness, it is possible to control the dimension of the system and, thus, explore both the structural transitions and the long-time self-diffusion coefficient as a function of the degree of confinement. We particularly study the structural ordering in the directions perpendicular and parallel to the confinement. Further analysis of the local distribution of the first-neighbors layer allows us to identify the different structural phases induced by the parabolic potential. These results are summarized in a structural state diagram that describes the way in which the colloidal suspension undergoes a structural re-ordering while increasing the confinement. To fully understand the particle dynamics, we take into account hydrodynamic interactions between colloids; the parabolic potential constricts the available space for the colloids, but it does not act on the solvent. Our findings show a non-linear behavior of the long-time self-diffusion coefficient that is associated to the structural transitions induced by the external field. (C) 2015 AIP Publishing LLC.
Address
Corporate Author Thesis
Publisher Place of Publication New York, N.Y. Editor
Language Wos 000348129700053 Publication Date 2015-01-10
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN (down) 0021-9606;1089-7690; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.965 Times cited 7 Open Access
Notes ; This work was partially supported by the “Odysseus” Program of the Flemish Government, the Flemish Science Foundation (FWO-Vl), PIFI 3.4 – PROMEP, and CONACyT (Grant Nos. 61418/2007, 102339/2008, Ph.D. scholarship 230171/2010). R.C.-P. also acknowledges financial support provided by the Marcos Moshinsky fellowship 2013-2014. The authors also thank to the General Coordination of Information and Communications Technologies (CGSTIC) at Cinvestav for providing HPC resources on the Hybrid Cluster Super-computer Xiuhcoatl, which have contributed partially to the research results reported in this paper. ; Approved Most recent IF: 2.965; 2015 IF: 2.952
Call Number c:irua:123832 Serial 3267
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Author Lamoen, D.; Persson, B.N.J.
Title Adsorption of potassium and oxygen on graphite: a theoretical study Type A1 Journal article
Year 1998 Publication Journal Of Chemical Physics Abbreviated Journal J Chem Phys
Volume 108 Issue Pages 3332-3341
Keywords A1 Journal article; Electron Microscopy for Materials Science (EMAT);
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication New York, N.Y. Editor
Language Wos 000074379600032 Publication Date 2002-07-26
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN (down) 0021-9606; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.965 Times cited 91 Open Access
Notes Approved Most recent IF: 2.965; 1998 IF: 3.147
Call Number UA @ lucian @ c:irua:19420 Serial 64
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Author Nikolaev, A.V.; Prassides, K.; Michel, K.H.
Title Charge transfer and polymer phases in AC60 (A=K, Rb, Cs) fullerides Type A1 Journal article
Year 1998 Publication The journal of chemical physics Abbreviated Journal J Chem Phys
Volume 108 Issue Pages 4912-4923
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication New York, N.Y. Editor
Language Wos 000072588400025 Publication Date 2002-07-26
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN (down) 0021-9606; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.965 Times cited 14 Open Access
Notes Approved Most recent IF: 2.965; 1998 IF: 3.147
Call Number UA @ lucian @ c:irua:23985 Serial 338
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Author Lamoen, D.; Michel, K.H.
Title Crystal field, orientational order, and lattice contraction in solid C60 Type A1 Journal article
Year 1994 Publication The journal of chemical physics Abbreviated Journal J Chem Phys
Volume 101 Issue Pages 1435-1443
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract A model of the intermolecular potential in solid C-60, which is based on Born-Mayer repulsions, van der Waals attractions, and electrostatic multipoles, is presented. The potential is expanded in terms of multipolar rotator functions. The orientation-orientation interaction and the crystal field are calculated. The orientational phase transition to the Pa3 phase is studied with the methods of statistical mechanics. The discontinuity of the order parameter at the transition and the temperature evolution of the order parameter are calculated. The lattice contraction at the phase transition is evaluated. The influence of the lattice contraction on the crystal field and on the orientational order is studied.
Address
Corporate Author Thesis
Publisher Place of Publication New York, N.Y. Editor
Language Wos A1994NW97900058 Publication Date 2002-07-26
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN (down) 0021-9606; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.952 Times cited 39 Open Access
Notes Approved CHEMISTRY, PHYSICAL 54/144 Q2 # PHYSICS, ATOMIC, MOLECULAR & CHEMICAL 9/35 Q2 #
Call Number UA @ lucian @ c:irua:9361 Serial 554
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Author Verberck, B.; Michel, K.H.; Nikolaev, A.V.
Title Crystal structures of polymerized fullerides AC60, A=K, Rb, Cs, and alkali-mediated interactions Type A1 Journal article
Year 2002 Publication The journal of chemical physics Abbreviated Journal J Chem Phys
Volume 116 Issue 23 Pages 10462-10474
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Starting from a model of rigid interacting C-60 polymer chains on an orthorhombic lattice, we study the mutual orientation of the chains and the stability of the crystalline structures Pmnn and I2/m. We take into account (i) van der Waals interactions and electric quadrupole interactions between C-60 monomers on different chains as well as (ii) interactions of the monomers with the surrounding alkali atoms. The direct interactions (i) always lead to an antiferrorotational structure Pmnn with alternate orientation of the C-60 chains in planes (001). The interactions (ii) with the alkalis consist of two parts: translation-rotation (TR) coupling where the orientations of the chains interact with displacements of the alkalis, and quadrupolar electronic polarizability (ep) coupling, where the electric quadrupoles on the C-60 monomers interact with induced quadrupoles due to excited electronic d-states of the alkalis. Both interactions (ii) lead to an effective orientation-orientation interaction between the C-60 chains and always favor the ferrorotational structure I2/m, where C-60 chains have a same orientation. The structures Pmnn for KC60 and I2/m for Rb- and CsC60 are the result of a competition between the direct interaction (i) and the alkali-mediated interactions (ii). In Rb- and CsC60 the latter are found to be dominant, the preponderant role being played by the quadrupolar electronic polarizability of the alkali ions. (C) 2002 American Institute of Physics.
Address
Corporate Author Thesis
Publisher Place of Publication New York, N.Y. Editor
Language Wos 000175905800044 Publication Date 2002-07-26
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN (down) 0021-9606; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.965 Times cited 12 Open Access
Notes Approved Most recent IF: 2.965; 2002 IF: 2.998
Call Number UA @ lucian @ c:irua:103350 Serial 578
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Author Michel, K.H.
Title Molecular structure and orientational ordering in solid C60 Type A1 Journal article
Year 1992 Publication The journal of chemical physics Abbreviated Journal J Chem Phys
Volume 97 Issue 7 Pages 5155-5162
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract A microscopic theory, which describes the orientational dynamics of C60 molecules in the face-centered cubic phase of C60-fullerite, is formulated or the case of a complex molecular structure. Interaction centers which comprise atoms, double bonds, and single bonds as molecular constituents contribute to the intermolecular potential. Orientation dependent physical properties are described in terms of symmetry-adapted rotator functions. It is found that a same set of rotator functions is sufficient even in the case of a complex molecular structure. Phase transition temperatures are discussed for various models of molecular structure.
Address
Corporate Author Thesis
Publisher Place of Publication New York, N.Y. Editor
Language Wos A1992JR33800062 Publication Date 2002-07-26
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN (down) 0021-9606; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.952 Times cited 20 Open Access
Notes Approved no
Call Number UA @ lucian @ c:irua:2973 Serial 2185
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Author Verberck, B.; Vliegenthart, G.A.; Gompper, G.
Title Orientational ordering in solid C60 fullerene-cubane Type A1 Journal article
Year 2009 Publication The journal of chemical physics Abbreviated Journal J Chem Phys
Volume 130 Issue 15 Pages 154510,1-154510,14
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract We study the structure and phase behavior of fullerene-cubane C60·C8H8 by Monte Carlo simulation. Using a simple potential model capturing the icosahedral and cubic symmetries of its molecular constituents, we reproduce the experimentally observed phase transition from a cubic to an orthorhombic crystal lattice and the accompanying rotational freezing of the C60 molecules. We elaborate a scheme to identify the low-temperature orientations of individual molecules and to detect a pattern of orientational ordering similar to the arrangement of C60 molecules in solid C60. Our configuration of orientations supports a doubled periodicity along one of the crystal axes.
Address
Corporate Author Thesis
Publisher Place of Publication New York, N.Y. Editor
Language Wos 000265486300036 Publication Date 2009-04-22
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN (down) 0021-9606; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.965 Times cited 8 Open Access
Notes Approved Most recent IF: 2.965; 2009 IF: 3.093
Call Number UA @ lucian @ c:irua:77258 Serial 2519
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Author Titantah, J.T.; Pierleoni, C.; Ryckaert, J.-P.
Title Single chain elasticity and thermoelasticity of polyethylene Type A1 Journal article
Year 2002 Publication The journal of chemical physics Abbreviated Journal J Chem Phys
Volume 117 Issue 19 Pages 9028-9036
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Single-chain elasticity of polyethylene at theta point up to 90% of stretching with respect to its contour length is computed by Monte Carlo simulation of an atomistic model in continuous space. The elasticity law together with the free-energy and the internal energy variations with stretching are found to be very well represented by the wormlike chain model up to 65% of the chain elongation, provided the persistence length is treated as a temperature-dependent parameter. Beyond this value of elongation simple ideal chain models are not able to describe the Monte Carlo data in a thermodynamic consistent way. This study reinforces the use of the wormlike chain model to interpret experimental data on the elasticity of synthetic polymers in the finite extensibility regime, provided the chain is not yet in its fully stretched regime. Specific solvent effects on the elasticity law and the partition between energetic and entropic contributions to single chain elasticity are investigated. (C) 2002 American Institute of Physics.
Address
Corporate Author Thesis
Publisher Place of Publication New York, N.Y. Editor
Language Wos 000178934700046 Publication Date 2002-10-31
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN (down) 0021-9606; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.965 Times cited 5 Open Access
Notes Approved Most recent IF: 2.965; 2002 IF: 2.998
Call Number UA @ lucian @ c:irua:103862 Serial 3018
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Author Nikolaev, A.V.; Michel, K.H.
Title Superexchange and electron correlations in alkali fullerides AC60, A=K, Rb, Cs Type A1 Journal article
Year 2005 Publication The journal of chemical physics Abbreviated Journal J Chem Phys
Volume 122 Issue 6 Pages 064310-64314
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Superexchange interactions in alkali fullerides AC(60) are derived for C-60 molecular ions separated by interstitial alkali-metal ions. We use a multiconfiguration approach which comprises the lowest molecular orbital states of the C-60 molecule and the excited s and d states of the alkali-metal atom A. Interactions are described by the valence bond (Heitler-London) method for a complex (C-60 – A – C-60) – with two valence electrons. The electronic charge transfer between the alkali-metal atom and a neighboring C-60 molecule is not complete. The occupation probability of excited d and s states of the alkali atom is not negligible. In correspondence with the relative positions of the C-60 molecules and A atoms in the polymer crystal, we consider 180degrees and 90degrees (angle) superexchange pathways. For the former case the ground state is found to be a spin singlet separated from a triplet at similar to20 K. For T < 20 K there appear strong spin correlations for the 180degrees superexchange pathway. The results are related to spin lattice relaxation experiments on CsC60 in the polymerized and in the quenched cubic phase. (C) 2005 American Institute of Physics.
Address
Corporate Author Thesis
Publisher Place of Publication New York, N.Y. Editor
Language Wos 000226918100018 Publication Date 2005-02-02
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN (down) 0021-9606; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.965 Times cited 11 Open Access
Notes Approved Most recent IF: 2.965; 2005 IF: 3.138
Call Number UA @ lucian @ c:irua:102740 Serial 3377
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Author Michel, K.H.; Verberck, B.; Hulman, M.; Kuzmany, H.; Krause, M.
Title Superposition of quantum and classical rotational motions in Sc2C2@C84 fullerite Type A1 Journal article
Year 2007 Publication The journal of chemical physics Abbreviated Journal J Chem Phys
Volume 126 Issue 6 Pages 064304,1-15
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication New York, N.Y. Editor
Language Wos 000244250200008 Publication Date 2007-02-09
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN (down) 0021-9606; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.965 Times cited 14 Open Access
Notes Approved Most recent IF: 2.965; 2007 IF: 3.044
Call Number UA @ lucian @ c:irua:63628 Serial 3381
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