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Author Kosimov, D.P.; Dzhurakhalov, A.A.; Peeters, F.M.
Title Carbon clusters: from ring structures to nanographene Type (up) A1 Journal article
Year 2010 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 81 Issue 19 Pages 195414,1-195414,12
Keywords A1 Journal article; Condensed Matter Theory (CMT); Integrated Molecular Plant Physiology Research (IMPRES); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract The lowest-energy configurations of Cn(n≤55) clusters are obtained using the energy-minimization technique with the conjugate gradient method where a modified Brenner potential is invoked to describe the carbon and hydrocarbon interaction. We found that the ground-state configuration consists of a single ring for small number of C atoms and multiring structures are found with increasing n, which can be in planar, bowl-like or caplike form. Contrary to previous predictions, the binding energy Eb does not show even-odd oscillations and only small jumps are found in the Eb(n) curve as a consequence of specific types of edges or equivalently the number of secondary atoms. We found that hydrogenation of the edge atoms may change the ground-state configuration of the nanocluster. In both cases we determined the magic clusters. Special attention is paid to trigonal and hexagonal shaped carbon clusters and to clusters having a graphenelike configuration. Trigonal clusters are never the ground state while hexagonal-shaped clusters are only the ground state when they have zigzag edges.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000278142000103 Publication Date 2010-05-10
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.836 Times cited 55 Open Access
Notes ; This work was supported by the Belgian Science Policy (IAP) and the Flemish Science Foundation (FWO-V1). ; Approved Most recent IF: 3.836; 2010 IF: 3.774
Call Number UA @ lucian @ c:irua:83385 Serial 278
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Author Aerts, R.; Somers, W.; Bogaerts, A.
Title Carbon dioxide splitting in a dielectric barrier discharge plasma : a combined experimental and computational study Type (up) A1 Journal article
Year 2015 Publication Chemsuschem Abbreviated Journal Chemsuschem
Volume 8 Issue 8 Pages 702-716
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract Plasma technology is gaining increasing interest for the splitting of CO2 into CO and O2. We have performed experiments to study this process in a dielectric barrier discharge (DBD) plasma with a wide range of parameters. The frequency and dielectric material did not affect the CO2 conversion and energy efficiency, but the discharge gap can have a considerable effect. The specific energy input has the most important effect on the CO2 conversion and energy efficiency. We have also presented a plasma chemistry model for CO2 splitting, which shows reasonable agreement with the experimental conversion and energy efficiency. This model is used to elucidate the critical reactions that are mostly responsible for the CO2 conversion. Finally, we have compared our results with other CO2 splitting techniques and we identified the limitations as well as the benefits and future possibilities in terms of modifications of DBD plasmas for greenhouse gas conversion in general.
Address
Corporate Author Thesis
Publisher Place of Publication Weinheim Editor
Language Wos 000349954400019 Publication Date 2015-01-16
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 7.226 Times cited 131 Open Access
Notes Approved Most recent IF: 7.226; 2015 IF: 7.657
Call Number c:irua:123930 Serial 279
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Author Shenderova, O.; Hens, S.; Vlasov, I.; Turner, S.; Lu, Y.-G.; Van Tendeloo, G.; Schrand, A.; Burikov, S.A.; Dolenko, T.A.
Title Carbon-dot-decorated nanodiamonds Type (up) A1 Journal article
Year 2014 Publication Particle and particle systems characterization Abbreviated Journal Part Part Syst Char
Volume 31 Issue 5 Pages 580-590
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract The synthesis of a new class of fluorescent carbon nanomaterials, carbon-dot-decorated nanodiamonds (CDD-ND), is reported. These CDD-NDs are produced by specific acid treatment of detonation soot, forming tiny rounded sp2 carbon species (carbon dots), 12 atomic layers thick and 12 nm in size, covalently attached to the surface of the detonation diamond nanoparticles. A combination of nanodiamonds bonded with a graphitic phase as a starting material and the application of graphite intercalated acids for oxidation of the graphitic carbon is necessary for the successful production of CDD-ND. The CDD-ND photoluminescence (PL) is stable, 20 times more intense than the intrinsic PL of well-purified NDs and can be tailored by changing the oxidation process parameters. Carbon-dot-decorated DNDs are shown to be excellent probes for bioimaging applications and inexpensive additives for PL nanocomposites.
Address
Corporate Author Thesis
Publisher Place of Publication Weinheim Editor
Language Wos 000335518900008 Publication Date 2014-01-13
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0934-0866; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.474 Times cited 30 Open Access
Notes Fwo; 262348 Esmi; 246791 Countatoms Approved Most recent IF: 4.474; 2014 IF: 3.081
Call Number UA @ lucian @ c:irua:117332 Serial 280
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Author Zhang, X.F.; Zhang, X.B.; Van Tendeloo, G.; Amelinckx, S.; op de Beeck, M.; van Landuyt, J.
Title Carbon nano-tubes: their formation process and observation by electron microscopy Type (up) A1 Journal article
Year 1993 Publication Journal of crystal growth Abbreviated Journal J Cryst Growth
Volume 130 Issue Pages 368-382
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Amsterdam Editor
Language Wos A1993LK45300003 Publication Date 2002-10-16
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0022-0248; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.698 Times cited 190 Open Access
Notes Approved
Call Number UA @ lucian @ c:irua:6786 Serial 281
Permanent link to this record
 
 
Author Llobet, E.; Espinosa, E.H.; Sotter, E.; Ionescu, R.; Vilanova, X.; Torres, J.; Felten, A.; Pireaux, J.J.; Ke, X.; Van Tendeloo, G.; Renaux, F.; Paint, Y.; Hecq, M.; Bittencourt, C.;
Title Carbon nanotube TiO2 hybrid films for detecting traces of O2 Type (up) A1 Journal article
Year 2008 Publication Nanotechnology Abbreviated Journal Nanotechnology
Volume 19 Issue 37 Pages 375501-375511
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract Hybrid titania films have been prepared using an adapted sol-gel method for obtaining well-dispersed hydrogen plasma-treated multiwall carbon nanotubes in either pure titania or Nb-doped titania. The drop-coating method has been used to fabricate resistive oxygen sensors based on titania or on titania and carbon nanotube hybrids. Morphology and composition studies have revealed that the dispersion of low amounts of carbon nanotubes within the titania matrix does not significantly alter its crystallization behaviour. The gas sensitivity studies performed on the different samples have shown that the hybrid layers based on titania and carbon nanotubes possess an unprecedented responsiveness towards oxygen (i.e. more than four times higher than that shown by optimized Nb-doped TiO(2) films). Furthermore, hybrid sensors containing carbon nanotubes respond at significantly lower operating temperatures than their non-hybrid counterparts. These new hybrid sensors show a strong potential for monitoring traces of oxygen (i.e. <= 10 ppm) in a flow of CO(2), which is of interest for the beverage industry.
Address
Corporate Author Thesis
Publisher Place of Publication Bristol Editor
Language Wos 000258385600014 Publication Date 2008-08-02
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0957-4484;1361-6528; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.44 Times cited 48 Open Access
Notes Pai Approved Most recent IF: 3.44; 2008 IF: 3.446
Call Number UA @ lucian @ c:irua:103083 Serial 282
Permanent link to this record
 
 
Author Peeters, F.M.; Wu, X.; Devreese, J.T.; Langerak, C.J.G.M.; Singleton, J.; Barnes, D.J.; Nicholas, R.J.
Title Carrier-concentration-dependent polaron cyclotron resonance in GaAs-heterostructures Type (up) A1 Journal article
Year 1992 Publication Physical review: B Abbreviated Journal Phys Rev B
Volume 45 Issue Pages 4296-4300
Keywords A1 Journal article; Condensed Matter Theory (CMT); Theory of quantum systems and complex systems
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos A1992HF82800041 Publication Date 2002-07-27
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0163-1829;1095-3795; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.736 Times cited 46 Open Access
Notes Approved
Call Number UA @ lucian @ c:irua:2890 Serial 283
Permanent link to this record
 
 
Author Brosens, F.; Magnus, W.
Title Carrier transport in nanodevices: revisiting the Boltzmann and Wigner distribution functions Type (up) A1 Journal article
Year 2009 Publication Physica status solidi: B: basic research Abbreviated Journal Phys Status Solidi B
Volume 246 Issue 7 Pages 1656-1661
Keywords A1 Journal article; Condensed Matter Theory (CMT); Theory of quantum systems and complex systems
Abstract In principle, transport of charged carriers in nanometer sized solid-state devices can be fully characterized once the non-equilibrium distribution function describing the carrier ensemble is known. In this light, we have revisited the Boltzmann and the Wigner distribution functions and the framework in which they emerge from the classical respectively quantum mechanical Liouville equation. We have assessed the method of the characteristic curves as a potential workhorse to solve the time dependent Boltzmann equation for carriers propagating through spatially non-uniform systems, such as nanodevices. In order to validate the proposed solution strategy, we numerically solve the Boltzmann equation for a one-dimensional conductor mimicking the basic features of a biased low-dimensional transistor operating in the on-state. Finally, we propose a computational scheme capable of extending the benefits of the above mentioned solution strategy when it comes to solve the Wigner-Liouville equation.
Address
Corporate Author Thesis
Publisher Place of Publication Berlin Editor
Language Wos 000268659100033 Publication Date 2009-04-22
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0370-1972;1521-3951; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.674 Times cited 8 Open Access
Notes Approved Most recent IF: 1.674; 2009 IF: 1.150
Call Number UA @ lucian @ c:irua:77953 Serial 284
Permanent link to this record
 
 
Author Maistrenko, Y.L.; Vasylenko, A.; Sudakov, O.; Levchenko, R.; Maistrenko, V.L.
Title Cascades of multiheaded chimera states for coupled phase oscillators Type (up) A1 Journal article
Year 2014 Publication International journal of bifurcation and chaos in applied sciences and engineering Abbreviated Journal Int J Bifurcat Chaos
Volume 24 Issue 8 Pages 1440014
Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
Abstract Chimera state is a recently discovered dynamical phenomenon in arrays of nonlocally coupled oscillators, that displays a self-organized spatial pattern of coexisting coherence and incoherence. We discuss the appearance of the chimera states in networks of phase oscillators with attractive and with repulsive interactions, i.e. when the coupling respectively favors synchronization or works against it. By systematically analyzing the dependence of the spatiotemporal dynamics on the level of coupling attractivity/repulsivity and the range of coupling, we uncover that different types of chimera states exist in wide domains of the parameter space as cascades of the states with increasing number of intervals of irregularity, so-called chimera's heads. We report three scenarios for the chimera birth: (1) via saddle-node bifurcation on a resonant invariant circle, also known as SNIC or SNIPER, (2) via blue-sky catastrophe, when two periodic orbits, stable and saddle, approach each other creating a saddle-node periodic orbit, and (3) via homoclinic transition with complex multistable dynamics including an “eight-like” limit cycle resulting eventually in a chimera state.
Address
Corporate Author Thesis
Publisher Place of Publication Singapore Editor
Language Wos 000341494900015 Publication Date 2014-08-29
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0218-1274;1793-6551; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.329 Times cited Open Access
Notes Approved Most recent IF: 1.329; 2014 IF: 1.078
Call Number UA @ lucian @ c:irua:119303 Serial 285
Permanent link to this record
 
 
Author Vinchurkar, S.; De Backer, L.; Vos, W.; Van Holsbeke, C.; de Backer, J.; de Backer, W.
Title A case series on lung deposition analysis of inhaled medication using functional imaging based computational fluid dynamics in asthmatic patients : effect of upper airway morphology and comparison with in vivo data Type (up) A1 Journal article
Year 2012 Publication Inhalation Toxicology Abbreviated Journal Inhal Toxicol
Volume 24 Issue 2 Pages 81-88
Keywords A1 Journal article; Pharmacology. Therapy; Biophysics and Biomedical Physics; Condensed Matter Theory (CMT); Laboratory Experimental Medicine and Pediatrics (LEMP)
Abstract Context: Asthma affects 20 million Americans resulting in an economic burden of approximately $18 billion in the US alone (Allergies and Asthma Foundation 2000; National Center for Environmental Health (NCEH) 1999). Research studies based on differences in patient-specific airway morphology for asthma and the associated effect on deposition of inhaled aerosols are currently not available in the literature. Therefore, the role of morphological variations such as upper airway (extrathoracic) occlusion is not well documented. Objective: Functional imaging based computational fluid dynamics (CFD) of the respiratory airways for five asthmatic subjects is performed in this study using computed tomography (CT) based patient-specific airway models and boundary conditions. Methods: CT scans for 5 asthma patients were used to reconstruct 3D lung models using segmentation software. An averaged inhalation profile and patient-specific lobar flow distribution were used to perform the simulation. The simulations were used to obtain deposition for BDP/Formoterol (R) HFA pMDI in the patient-specific airway models. Results: The lung deposition obtained using CFD was in excellent agreement with available in vivo data using the same product. Specifically, CFD resulted in 30% lung deposition, whereas in vivo lung deposition was reported to be approximately 31%. Conclusion: It was concluded that a combination of patient-specific airway models and lobar boundary conditions can be used to obtain accurate lung deposition estimates. Lower lung deposition can be expected for patients with higher extrathoracic resistance. Novel respiratory drug delivery devices need to accommodate population subgroups based on these morphological and anatomical differences in addition to subject age.
Address
Corporate Author Thesis
Publisher Place of Publication New York, N.Y. Editor
Language Wos 000299744800001 Publication Date 2012-01-20
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0895-8378;1091-7691; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.751 Times cited 36 Open Access
Notes ; ; Approved Most recent IF: 1.751; 2012 IF: 1.894
Call Number UA @ lucian @ c:irua:96238 Serial 286
Permanent link to this record
 
 
Author da Pieve, F.; Hogan, C.; Lamoen, D.; Verbeeck, J.; Vanmeert, F.; Radepont, M.; Cotte, M.; Janssens, K.; Gonze, X.; Van Tendeloo, G.
Title Casting light on the darkening of colors in historical paintings Type (up) A1 Journal article
Year 2013 Publication Physical review letters Abbreviated Journal Phys Rev Lett
Volume 111 Issue 20 Pages 208302-208305
Keywords A1 Journal article; Electron microscopy for materials research (EMAT); AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Abstract The degradation of colors in historical paintings affects our cultural heritage in both museums and archeological sites. Despite intensive experimental studies, the origin of darkening of one of the most ancient pigments known to humankind, vermilion (α-HgS), remains unexplained. Here, by combining many-body theoretical spectroscopy and high-resolution microscopic x-ray diffraction, we clarify the composition of the damaged paint work and demonstrate possible physicochemical processes, induced by illumination and exposure to humidity and air, that cause photoactivation of the original pigment and the degradation of the secondary minerals. The results suggest a new path for the darkening process which was never considered by previous studies and prompt a critical examination of their findings.
Address
Corporate Author Thesis
Publisher Place of Publication New York, N.Y. Editor
Language Wos 000327244500003 Publication Date 2013-11-15
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0031-9007;1079-7114; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 8.462 Times cited 30 Open Access
Notes Vortex; ERC FP7; COUNTATOMS; ECASJO_; Approved Most recent IF: 8.462; 2013 IF: 7.728
Call Number UA @ lucian @ c:irua:111396UA @ admin @ c:irua:111396 Serial 287
Permanent link to this record
 
 
Author Biró, L.P.; Khanh, N.Q.; Vértesy, Z.; Horváth, Z.E.; Osváth, Z.; Koós, A.; Gyulai, J.; Kocsonya, A.; Kónya, Z.; Zhang, X.B.; Van Tendeloo, G.; Fonseca, A.; Nagy, J.B.;
Title Catalyst traces and other impurities in chemically purified carbon nanotubes grown by CVD Type (up) A1 Journal article
Year 2002 Publication Materials science and engineering: part C: biomimetic materials T2 – EMRS Spring Meeting, JUN 05-08, 2001, STRASBOURG, FRANCE Abbreviated Journal Mat Sci Eng C-Mater
Volume 19 Issue 1-2 Pages 9-13
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Multiwall carbon nanotubes grown by the catalytic decomposition of acetylene over supported Co catalyst were subjected to wet and dry oxidation in order to remove the unwanted products and the catalyst traces. The effects of the purification treatment on the Co content was monitored by physical methods: Rutherford Backscattering Spectrometry (RBS). Particle Induced X-Ray Emission (PIXE) and X-Ray Fluorescence (XRF). The purified products were investigated by microscopic methods: TEM. Scanning Electron Microscopy (SEM), Energy Dispersive Spectroscopy (EDS) and STM. The KMnO4/H2SO4 aqueous oxidation procedure was found to be effective in reducing the Co content while damaging only moderately the outer wall of the nanotubes. Treatment in HNO3/H2SO4 yields a bucky-paper like product and produces the increase of the Si and S content of the sample. (C) 2002 Elsevier Science B.V. All rights reserved.
Address
Corporate Author Thesis
Publisher Place of Publication Lausanne Editor
Language Wos 000173080700003 Publication Date 2002-07-25
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0928-4931; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.164 Times cited 36 Open Access
Notes Approved Most recent IF: 4.164; 2002 IF: 0.734
Call Number UA @ lucian @ c:irua:102835 Serial 289
Permanent link to this record
 
 
Author Martens, J.A.; Thybaut, J.W.; Denayer, J.F.M.; Sree, S.P.; Aerts, A.; Reyniers, M.-F.; van Speybroeck, V.; Waroquier, M.; Buekenhoudt, A.; Vankelecom, I.; Buijs, W.; Persoons, J.; Baron, G.V.; Bals, S.; Van Tendeloo, G.; Marin, G.B.; Jacobs, P.A.; Kirschhock, C.E.A.
Title Catalytic and molecular separation properties of Zeogrids and Zeotiles Type (up) A1 Journal article
Year 2011 Publication Catalysis today Abbreviated Journal Catal Today
Volume 168 Issue 1 Pages 17-27
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Zeogrids and Zeotiles are hierarchical materials built from assembled MFI zeolite precursor units. Permanent secondary porosity in these materials is obtained through self assembly of nanoparticles encountered in MFI zeolite synthesis in the presence of supramolecular templates. Hereon, the aggregated species are termed nanoslabs. Zeogrids are layered materials with lateral spacings between nanoslabs creating galleries qualifying as supermicropores. Zeotiles present a diversity of tridimensional nanoslab assemblies with mesopores. Zeotile-1, -4 and -6 are hexagonal mesostructures. Zeotile-1 has triangular and hexagonal channels; Zeotile-4 has hexagonal channels interconnected via slits. Zeotile-2 has a cubic structure with gyroid type mesoporosity. The behavior of Zeogrids and Zeotiles in adsorption, membrane and chromatographic separation and catalysis has been characterized and compared with zeolites and mesoporous materials derived from unstructured silica sources. Shape selectivity was detected via adsorption of n- and iso-alkanes. The mesoporosity of Zeotiles can be exploited in chromatographic separation of biomolecules. Zeotiles present attractive separation properties relevant to CO2 sequestration. Because of its facile synthesis procedure without hydrothermal steps Zeogrid is convenient for membrane synthesis. The performance of Zeogrid membrane in gas separation, nanofiltration and pervaporation is reported. In the Beckmann rearrangement of cyclohexanone oxime Zeogrids and Zeotiles display a catalytic activity characteristic of silicalite-1 zeolites. Introduction of acidity and redox catalytic activity can be achieved via incorporation of Al and Ti atoms in the nanoslabs during synthesis. Zeogrids are active in hydrocracking, catalytic cracking, alkylation and epoxidation reactions. Zeogrids and Zeotiles often behave differently from ordered mesoporous materials as well as from zeolites and present a valuable extension of the family of hierarchical silicate based materials.
Address
Corporate Author Thesis
Publisher Place of Publication Amsterdam Editor
Language Wos 000291033300003 Publication Date 2011-03-09
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 13 Open Access
Notes Fwo; Iap Sbo Approved Most recent IF: 4.636; 2011 IF: 3.407
Call Number UA @ lucian @ c:irua:88647 Serial 290
Permanent link to this record
 
 
Author Villani, K.; Kirschhock, C.E.A.; Liang, D.; Van Tendeloo, G.; Martens, J.A.
Title Catalytic carbon oxidation over ruthenium-based catalysts Type (up) A1 Journal article
Year 2006 Publication Angewandte Chemie: international edition in English Abbreviated Journal Angew Chem Int Edit
Volume 45 Issue 19 Pages 3106-3109
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Weinheim Editor
Language Wos 000237533400016 Publication Date 2006-03-30
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1433-7851;1521-3773; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 11.994 Times cited 36 Open Access
Notes Approved Most recent IF: 11.994; 2006 IF: 10.232
Call Number UA @ lucian @ c:irua:59449 Serial 291
Permanent link to this record
 
 
Author Zhao, Q.; Lorenz, H.; Turner, S.; Lebedev, O.I.; Van Tendeloo, G.; Rameshan, C.; Klötzer, B.; Konzett, J.; Penner, S.
Title Catalytic characterization of pure SnO2 and GeO2 in methanol steam reforming Type (up) A1 Journal article
Year 2010 Publication Applied catalysis : A : general Abbreviated Journal Appl Catal A-Gen
Volume 375 Issue 2 Pages 188-195
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Structural changes of a variety of different SnO, SnO2 and GeO2 catalysts upon reduction in hydrogen were correlated with associated catalytic changes in methanol steam reforming. Studied systems include SnO, SnO2 and GeO2 thin film model catalysts prepared by vapour phase deposition and growth on polycrystalline NaCl surfaces and, for comparison, the corresponding pure oxide powder catalysts. Reduction of both the SnO2 thin film and powder at around 673 K in 1 bar hydrogen leads to a substantial reduction of the bulk structure and yields a mixture of SnO2 and metallic β-Sn. On the powder catalyst this transformation is fully reversible upon oxidation in 1 bar O2 at 673 K. Strongly reduced thin films, however, can only be re-transformed to SnO2 if the reduction temperature did not exceed 573 K. For GeO2, the situation is more complex due to its polymorphism. Whereas the tetragonal phase is structurally stable during reduction, oxidation or catalytic reaction, a small part of the hexagonal phase is always transformed into the tetragonal at 673 K independent of the gas phase used. SnO2 is highly active and CO2 selective in methanol steam reforming, but the initial high activity drops considerably upon reduction between 373 and 573 K and almost complete catalyst deactivation is observed after reduction at 673 K, which is associated with the parallel formation of β-Sn. In close correlation to the structural results, the catalytic activity and selectivity can be restored upon an oxidative catalyst regeneration at 673 K. Tetragonal GeO2 exhibits only a small activity and no pronounced selectivity to either CO or CO2, at least after reduction. In its fully oxidized state release of surface/lattice oxygen results in a non-catalytic formation of CO2 by oxidation of CO originating from catalytic dehydrogenation.
Address
Corporate Author Thesis
Publisher Place of Publication Amsterdam Editor
Language Wos 000275580600002 Publication Date 2010-01-15
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0926-860X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.339 Times cited 20 Open Access
Notes Esteem 026019 Approved Most recent IF: 4.339; 2010 IF: 3.384
Call Number UA @ lucian @ c:irua:81741 Serial 292
Permanent link to this record
 
 
Author Marikutsa, A.; Krivetskiy, V.; Yashina, L.; Rumyantseva, M.; Konstantinova, E.; Ponzoni, A.; Comini, E.; Abakumov, A.; Gaskov, A.
Title Catalytic impact of RuOx clusters to high ammonia sensitivity of tin dioxide Type (up) A1 Journal article
Year 2012 Publication Sensors and actuators : B : chemical T2 – 25th Eurosensors Conference, SEP 04-07, 2011, Athens, GREECE Abbreviated Journal Sensor Actuat B-Chem
Volume 175 Issue Pages 186-193
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract A comparative study of NH3-sensing performance of blank and modified nanocrystal line SnO2 was performed. Tin dioxide modified by ruthenium displayed the highest ammonia sensitivity with a maximum signal at 200 degrees C. The modifier was shown by XPS and EPR to occur in a mixed valence state of oxidized ruthenium distributed between the surface and bulk of tin dioxide nanocrystals. RuOx clustering on SnO2 surface was detected by means of electron microscopy assisted EDX-mapping. The effect of RuOx on tin dioxide interaction with ammonia was studied by temperature-programmed NH3 desorption, simultaneous Kelvin probe and DC-resistance measurements, EPR spectroscopy and analyses of the gas-solid interaction products. The modifier was shown to promote the materials reactivity to NH3 due to the catalytic activity of RuOx. The interaction with ammonia resulted in dipoles formation on the oxide surface along with reducing the grains net surface charge, established from the electron affinity increase and resistance decrease during NH3 exposure. The RuOx-catalyzed gas-solid interaction was deduced to proceed deeper than in the case of non-modified SnO2 and to yield nitrogen oxides (e.g. NO2), as was suggested by the oxidative character of gaseous products of NH3 interaction with RuOx-modified tin dioxide at 200 degrees C. (C) 2012 Elsevier B.V. All rights reserved.
Address
Corporate Author Thesis
Publisher Place of Publication Lausanne Editor
Language Wos 000312358700033 Publication Date 2012-06-19
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0925-4005; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 5.401 Times cited 20 Open Access
Notes Approved Most recent IF: 5.401; 2012 IF: 3.535
Call Number UA @ lucian @ c:irua:105985 Serial 293
Permanent link to this record
 
 
Author Neyts, E.C.; Shibuta, Y.; van Duin, A.C.T.; Bogaerts, A.
Title Catalyzed growth of carbon nanotube with definable chirality by hybrid molecular dynamics-force biased Monte Carlo simulations Type (up) A1 Journal article
Year 2010 Publication ACS nano Abbreviated Journal Acs Nano
Volume 4 Issue 11 Pages 6665-6672
Keywords A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract Metal-catalyzed growth mechanisms of carbon nanotubes (CNTs) were studied by hybrid molecular dynamics−Monte Carlo simulations using a recently developed ReaxFF reactive force field. Using this novel approach, including relaxation effects, a CNT with definable chirality is obtained, and a step-by-step atomistic description of the nucleation process is presented. Both root and tip growth mechanisms are observed. The importance of the relaxation of the network is highlighted by the observed healing of defects.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000284438000043 Publication Date 2010-10-12
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1936-0851;1936-086X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 13.942 Times cited 129 Open Access
Notes Approved Most recent IF: 13.942; 2010 IF: 9.865
Call Number UA @ lucian @ c:irua:84759 Serial 294
Permanent link to this record
 
 
Author Marezio, M.; Alexandre, E.T.; Bordet, P.; Capponi, J.-J.; Chaillout, C.; Kopnin, E.M.; Loureiro, S.M.; Radaelli, P.G.; Van Tendeloo, G.
Title Cation and anion disorder in HbBa2Can-1CunO2n+2+\delta Type (up) A1 Journal article
Year 1995 Publication Journal of superconductivity Abbreviated Journal
Volume 8 Issue 4 Pages
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication New York, N.Y. Editor
Language Wos A1995RU78500030 Publication Date 0000-00-00
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0896-1107 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited 4 Open Access
Notes Approved MATERIALS SCIENCE, MULTIDISCIPLINARY 96/271 Q2 #
Call Number UA @ lucian @ c:irua:13321 Serial 295
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Author Paolella, A.; Bertoni, G.; Hovington, P.; Feng, Z.; Flacau, R.; Prato, M.; Colombo, M.; Marras, S.; Manna, L.; Turner, S.; Van Tendeloo, G.; Guerfi, A.; Demopoulos, G.P.; Zaghib, K.;
Title Cation exchange mediated elimination of the Fe-antisites in the hydrothermal synthesis of LiFePO4 Type (up) A1 Journal article
Year 2015 Publication Nano energy Abbreviated Journal Nano Energy
Volume 16 Issue 16 Pages 256-267
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract In this work we elucidate the elimination of mechanism Fe-antisite defects in lithium iron phosphate (LiFePO4) during the hydrothermal synthesis. Compelling evidence of this effect is provided by combining Neutron Powder Diffraction (NPD), High Resolution (Scanning) Transmission Electron Microscopy (HR-(S)TEM), Electron Energy Loss Spectroscopy (EELS), X-Ray Photoelectron Spectroscopy (XPS) and calculations. We found: i) the first intermediate vivianite inevitably creates Fe-antisite defects in LiFePO4; ii) the removal of these antisite defects by cation exchange is assisted by a nanometer-thick amorphous layer, rich in Li, that enwraps the LiFePO4 crystals.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000364579300027 Publication Date 2015-06-19
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2211-2855; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 12.343 Times cited 27 Open Access
Notes The authorswanttoacknowledgeVincentGariepy,Cathe- rine Gagnon,JulieTrottier,DanielClement,Dr.CyrilFaure of IREQ,Dr.GaiaTomaselloofInstitutfürTheoretische PhysikFreieUniversitätBerlinandProf.MichelArmandof CICenergigune forhelpfuldiscussionsandtechnical supports. Approved Most recent IF: 12.343; 2015 IF: 10.325
Call Number c:irua:127688 Serial 296
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Author Abakumov, A.M.; Morozov, V.A.; Tsirlin, A.A.; Verbeeck, J.; Hadermann, J.
Title Cation ordering and flexibility of the BO42- tetrahedra in incommensurately modulated CaEu2(BO4)4 (B = Mo, W) scheelites Type (up) A1 Journal article
Year 2014 Publication Inorganic chemistry Abbreviated Journal Inorg Chem
Volume 53 Issue 17 Pages 9407-9415
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract The factors mediating cation ordering in the scheelite-based molybdates and tungstates are discussed on the basis of the incommensurately modulated crystal structures of the CaEu2(BO4)(4) (B = Mo, W) red phosphors solved from high-resolution synchrotron powder X-ray diffraction data. Monoclinic CaEu2(WO4)(4) adopts a (3 + 1)-dimensionally modulated structure [superspace group I2/b(alpha beta 0)00, a = 5.238 73(1)A, b = 5.266 35(1) A, c = 11.463 19(9) A, gamma = 91.1511(2)degrees, q = 0.56153(6)a* + 0.7708(9)b*, R-F = 0.050, R-p = 0.069], whereas tetragonal CaEu2(MoO4)(4) is (3 + 2)-dimensionally modulated [superspace group I4(1)/ a(alpha beta 0)00(-beta alpha 0)00, a = 5.238 672(7) A, c = 11.548 43(2) A, q(1) = 035331(8)a* + 0.82068(9)b*, q(2) = -0.82068(9)a* + 0.55331(8)b*, R-F = 0.061, R-p = 0.082]. In both cases the modulation arises from the ordering of the Ca/Eu cations and the cation vacancies at the A-sublattice of the parent scheelite ABO(4) structure. The cation ordering is incomplete and better described with harmonic rather than with steplike occupational modulation functions. The structures respond to the variation of the effective charge and cation size at the A-position through the flexible geometry of the MoO42- and WO42- tetrahedra demonstrating an alternation of stretching the B-O bond lengths and bending the O-B-O bond angles. The tendency towards A-site cation ordering in scheelites is rationalized using the difference in ionic radii and concentration of the A-site vacancies as parameters and presented in the form of a structure map.
Address
Corporate Author Thesis
Publisher Place of Publication Easton, Pa Editor
Language Wos 000341229600068 Publication Date 2014-08-21
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0020-1669;1520-510X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.857 Times cited 48 Open Access
Notes Fwo G039211n Approved Most recent IF: 4.857; 2014 IF: 4.762
Call Number UA @ lucian @ c:irua:119292UA @ admin @ c:irua:119292 Serial 297
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Author Van Tendeloo, G.; De Meulenaere, P.; Letouzé, F.; Martin, C.; Hervieu, M.; Raveau, B.
Title Cation ordering in [(Tl, M)O] layers of “1202”-based cuprates : similarity to ordering in fcc-based alloys Type (up) A1 Journal article
Year 1997 Publication Journal of solid state chemistry Abbreviated Journal J Solid State Chem
Volume 132 Issue Pages 113-122
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract ''1201'' Tl-based substituted cuprates of the type (Tl1-xMx) Sr2CuO5 have been synthesized for M = Nb, Ta, or W. These materials do not superconduct due to a statistical distribution of some of the M for Cu. The remarkable feature of these materials is the ordering observed between Tl and M in the (Tl1-xMx-epsilon)O plane. The type of ordering depends on the composition and shows remarkable similarities with the ordering in Ni-Mo or other so-called 1 1/2 0 type fcc-based alloys or with the ordering in rocksalt oxides TiOx. The short-range order, for M = W, can be readily interpreted in terms of a mixing of nano-clusters with two different compositions. These observations of two-dimensional ordering confirm recent ideas about ordering in three-dimensional fcc-based alloys.
Address
Corporate Author Thesis
Publisher Place of Publication London Editor
Language Wos A1997XY68900015 Publication Date 2002-10-07
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 2.299 Times cited 2 Open Access
Notes Approved Most recent IF: 2.299; 1997 IF: 1.486
Call Number UA @ lucian @ c:irua:21448 Serial 299
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Author Yan, L.; Niu, H.J.; Duong, G.V.; Suchomel, M.R.; Bacsa, J.; Chalker, P.R.; Hadermann, J.; Van Tendeloo, G.; Rosseinsky, M.J.
Title Cation ordering within the perovskite block of a six-layer Ruddlesden-Popper oxide from layer-by-layer growth artificial interfaces in complex unit cells Type (up) A1 Journal article
Year 2011 Publication Chemical science Abbreviated Journal Chem Sci
Volume 2 Issue 2 Pages 261-272
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract The (AO)(ABO3)n Ruddlesden-Popper structure is an archetypal complex oxide consisting of two distinct structural units, an (AO) rock salt layer separating an n-octahedra thick perovskite block. Conventional high-temperature oxide synthesis methods cannot access members with n > 3, but low-temperature layer-by-layer thin film methods allow the preparation of materials with thicker perovskite blocks, exploiting high surface mobility and lattice matching with the substrate. This paper describes the growth of an n = 6 member CaO[(CSMO)2(LCMO)2 (CSMO)2] in which the six unit cell perovskite block is sub-divided into two central La0.67Ca0.33MnO3 (LCMO) and two terminal Ca0.85Sm0.15MnO3 (CSMO) layers to allow stabilization of the rock salt layer and variation of the transition metal charge.
Address
Corporate Author Thesis
Publisher Royal Society of Chemistry Place of Publication Cambridge Editor
Language Wos 000286327600010 Publication Date 2010-11-06
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2041-6520;2041-6539; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 8.668 Times cited 16 Open Access
Notes Approved Most recent IF: 8.668; 2011 IF: 7.525
Call Number UA @ lucian @ c:irua:88652 Serial 300
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Author Kirsanova, M.A.; Mori, T.; Maruyama, S.; Abakumov, A.M.; Van Tendeloo, G.; Olenev, A.; Shevelkov, A.V.
Title Cationic clathrate of type-III Ge172-xPxTey (y\approx21,5, x\approx2y) : synthesis, crystal structure and thermoelectric properties Type (up) A1 Journal article
Year 2013 Publication Inorganic chemistry Abbreviated Journal Inorg Chem
Volume 52 Issue 14 Pages 8272-8279
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract A first germanium-based cationic clathrate of type-III, Ge129.3P42.7Te21.53, was synthesized and structurally characterized (space group P42/mnm, a = 19.948(3) Å, c = 10.440(2) Å, Z = 1). In its crystal structure, germanium and phosphorus atoms form three types of polyhedral cages centered with Te atoms. The polyhedra share pentagonal and hexagonal faces to form a 3D framework. Despite the complexity of the crystal structure, the Ge129.3P42.7Te21.53 composition corresponds to the Zintl counting scheme with a good accuracy. Ge129.3P42.7Te21.53 demonstrates semiconducting/insulating behavior of electric resistivity, high positive Seebeck coefficient (500 μV K1 at 300 K), and low thermal conductivity (<0.92 W m1 K1) within the measured temperature range.
Address
Corporate Author Thesis
Publisher Place of Publication Easton, Pa Editor
Language Wos 000322087100052 Publication Date 2013-06-26
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0020-1669;1520-510X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.857 Times cited 3 Open Access
Notes Countatoms Approved Most recent IF: 4.857; 2013 IF: 4.794
Call Number UA @ lucian @ c:irua:109214 Serial 301
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Author Zelaya, E.; Schryvers, D.; Tolley, A.; Fitchner, P.F.P.
Title Cavity nucleation and growth in Cu-Zn-Al irradiated with Cu+ ions at different temperatures Type (up) A1 Journal article
Year 2010 Publication Intermetallics Abbreviated Journal Intermetallics
Volume 18 Issue 4 Pages 493-498
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract The effects of high dose ion irradiation in β CuZnAl were investigated between room temperature and 150 °C. Single crystal samples with surface normal close to [001]β were irradiated with 300 keV Cu+ ions. Microstructural changes were characterized using transmission electron microscopy. Irradiation induced cavities located on the surface exposed to the irradiation were observed. The morphology, size and density distribution of these cavities were analyzed as a function of different irradiation conditions. The shape and location of the cavities with respect to the irradiation surface were not affected by irradiation temperature or irradiation dose. Instead, the cavity size distribution showed a bi-modal shape for a dose of 15 dpa, regardless of irradiation temperature. For a dose of 30 dpa the bi-modal distribution was only observed after room temperature irradiation. The diffusion effects of vacancies produced by irradiation are analyzed in shape memory CuZnAl alloys, which main characteristic is the diffusionless martensitic transformation. Particularly, the cavity size distributions were analyzed in terms of nucleation, growth and coalescence.
Address
Corporate Author Thesis
Publisher Place of Publication Chicago, Ill. Editor
Language Wos 000276058200014 Publication Date 2009-10-17
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0966-9795; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.14 Times cited 1 Open Access
Notes Iaea Approved Most recent IF: 3.14; 2010 IF: 2.335
Call Number UA @ lucian @ c:irua:80924 Serial 302
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Author Robin, I.-C.; Aichele, T.; Bougerol, C.; André, R.; Tatarenko, S.; Bellet-Amalric, E.; van Daele, B.; Van Tendeloo, G.
Title CdSe quantum dot formation: alternative paths to relaxation of a strained CdSe layer and influence of the capping conditions Type (up) A1 Journal article
Year 2007 Publication Nanotechnology Abbreviated Journal Nanotechnology
Volume 18 Issue 26 Pages 265701,1-11
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Bristol Editor
Language Wos 000247103500012 Publication Date 2007-06-06
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0957-4484;1361-6528; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.44 Times cited 8 Open Access
Notes Approved Most recent IF: 3.44; 2007 IF: 3.310
Call Number UA @ lucian @ c:irua:64756 Serial 303
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Author Aichele, T.; Robin, I.-C.; Bougerol, C.; André, R.; Tatarenko, S.; Van Tendeloo, G.
Title CdSe quantum dot formation induced by amorphous Se Type (up) A1 Journal article
Year 2007 Publication Surface science : a journal devoted to the physics and chemistry of interfaces T2 – International Conference on NANO-Structures Self Assembling, JUL 02-06, 2006, Aix en Provence, FRANCE Abbreviated Journal Surf Sci
Volume 601 Issue 13 Pages 2664-2666
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract The mechanism allowing the transition from a two-dimensional strained layer of CdSe on ZnSe to self-assembled islands induced by the use of amorphous selenium is still not fully understood. For a better understanding, atomic force microscopy and transmission electron microscopy studies were performed on CdSe films with a thickness close to that for quantum dot formation. Below this thickness, the sample surface results in undulations along the [110] crystal direction, while few quantum dots are situated in the wave valleys. Plan view transmission electron microscopy studies reveal a strong anisotropy of the islands and show that the Se desorption conditions are crucial. (C) 2006 Elsevier B.V. All rights reserved.
Address
Corporate Author Thesis
Publisher Place of Publication Amsterdam Editor
Language Wos 000248030100027 Publication Date 2006-12-22
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0039-6028; ISBN Additional Links UA library record; WoS full record
Impact Factor 2.062 Times cited Open Access
Notes Approved Most recent IF: 2.062; 2007 IF: 1.855
Call Number UA @ lucian @ c:irua:102668 Serial 304
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Author Zhao, C.X.; Xu, W.; Peeters, F.M.
Title Cerenkov emission of terahertz acoustic-phonons from graphene Type (up) A1 Journal article
Year 2013 Publication Applied physics letters Abbreviated Journal Appl Phys Lett
Volume 102 Issue 22 Pages 222101-222104
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract We present a theoretical study of the electrical generation of acoustic-phonon emission from graphene at room temperature. The drift velocity (v(x)) and temperature of electrons driven by dc electric field (F-x) are determined by solving self-consistently the momentum-and energy-balance equations derived from the Boltzmann equation. We find that in the presence of impurity, acoustic-and optic-phonon scattering, v(x) can be much larger than the longitudinal (v(l)) and transverse (v(t)) sound velocities in graphene even within the linear response regime. As a result, although the acoustic Cerenkov effect cannot be obviously seen in the analytical formulas, the enhanced acoustic-phonon emission can be observed with increasing F-x when v(x) > v(l) and v > v(t). The frequency of acoustic-phonon emission from graphene can be above 10 THz, which is much higher than that generated from conventional semiconductor systems. This study is pertinent to the application of graphene as hypersonic devices such as terahertz sound sources. (C) 2013 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 000320621600034 Publication Date 2013-06-03
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0003-6951; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.411 Times cited 25 Open Access
Notes ; This work was supported by the National Natural Science Foundation of China (Grant No. 10974206), Ministry of Science and Technology of China (Grant No. 2011YQ130018), Department of Science and Technology of Yunnan Province, and by the Chinese Academy of Sciences. ; Approved Most recent IF: 3.411; 2013 IF: 3.515
Call Number UA @ lucian @ c:irua:109607 Serial 305
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Author Gorlé, C.; van Beeck, J.; Rambaud, P.; Van Tendeloo, G.
Title CFD modelling of small particle dispersion: the influence of the turbulence kinetic energy in the atmospheric boundary layer Type (up) A1 Journal article
Year 2009 Publication Atmospheric environment : an international journal Abbreviated Journal Atmos Environ
Volume 43 Issue 3 Pages 673-681
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract When considering the modelling of small particle dispersion in the lower part of the Atmospheric Boundary Layer (ABL) using Reynolds Averaged Navier Stokes simulations, the particle paths depend on the velocity profile and on the turbulence kinetic energy, from which the fluctuating velocity components are derived to predict turbulent dispersion. It is therefore important to correctly reproduce the ABL, both for the velocity profile and the turbulence kinetic energy profile. For RANS simulations with the standard kå model, Richards and Hoxey (1993. Appropriate boundary conditions for computational wind engineering models using the kå turbulence model. Journal of Wind Engineering and Industrial Aerodynamics 4647, 145153.) proposed a set of boundary conditions which result in horizontally homogeneous profiles. The drawback of this method is that it assumes a constant profile of turbulence kinetic energy, which is not always consistent with field or wind tunnel measurements. Therefore, a method was developed which allows the modelling of a horizontally homogeneous turbulence kinetic energy profile that is varying with height. By comparing simulations performed with the proposed method to simulations performed with the boundary conditions described by Richards and Hoxey (1993. Appropriate boundary conditions for computational wind engineering models using the kå turbulence model. Journal of Wind Engineering and Industrial Aerodynamics 4647, 145153.), the influence of the turbulence kinetic energy on the dispersion of small particles over flat terrain is quantified.
Address
Corporate Author Thesis
Publisher Place of Publication Oxford Editor
Language Wos 000262737900023 Publication Date 2008-10-16
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1352-2310; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.629 Times cited 79 Open Access
Notes Iwt Approved Most recent IF: 3.629; 2009 IF: 3.139
Call Number UA @ lucian @ c:irua:76016 Serial 306
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Author Van Tendeloo, L.; Wangermez, W.; Kurttepeli, M.; de Blochouse, B.; Bals, S.; Van Tendeloo, G.; Martens, J.A.; Maes, A.; Kirschhock, C.E.A.; Breynaert, E.
Title Chabazite : stable cation-exchanger in hyper alkaline concrete pore water Type (up) A1 Journal article
Year 2015 Publication Environmental science and technology Abbreviated Journal Environ Sci Technol
Volume 49 Issue 49 Pages 2358-2365
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract To avoid impact on the environment, facilities for permanent disposal of hazardous waste adopt multibarrier design schemes. As the primary barrier very often consists of cement-based materials, two distinct aspects are essential for the selection of suitable complementary barriers: (1) selective sorption of the contaminants in the repository and (2) long-term chemical stability in hyperalkaline concrete-derived media. A multidisciplinary approach combining experimental strategies from environmental chemistry and materials science is therefore essential to provide a reliable assessment of potential candidate materials. Chabazite is typically synthesized in 1 M KOH solutions but also crystallizes in simulated young cement pore water, a pH 13 aqueous solution mainly containing K+ and Na+ cations. Its formation and stability in this medium was evaluated as a function of temperature (60 and 85 °C) over a timeframe of more than 2 years and was also asessed from a mechanistic point of view. Chabazite demonstrates excellent cation-exchange properties in simulated young cement pore water. Comparison of its Cs+ cation exchange properties at pH 8 and pH 13 unexpectedly demonstrated an increase of the KD with increasing pH. The combined results identify chabazite as a valid candidate for inclusion in engineered barriers for concrete-based waste disposal.
Address
Corporate Author Thesis
Publisher Place of Publication Easton, Pa Editor
Language Wos 000349806400047 Publication Date 2015-01-08
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0013-936X;1520-5851; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 6.198 Times cited 13 Open Access OpenAccess
Notes This work was supported by long-term structural funding by the Flemish Government (Methusalem) and by ONDRAF/ NIRAS, the Belgian Agency for Radioactive Waste and Fissile Materials, as part of the program on surface disposal of Belgian Category A waste. The Belgian government is acknowledged for financing the interuniversity poles of attraction (IAP-PAI). G.V.T. and S.B. acknowledge financial support from European Research Council (ERC Advanced Grant no. 24691-COUNTATOMS, ERC Starting Grant no. 335078-COLOURATOMS).; ECAS_Sara; (ROMEO:white; preprint:; postprint:restricted 12 months embargo; pdfversion:cannot); Approved Most recent IF: 6.198; 2015 IF: 5.330
Call Number c:irua:127695 Serial 307
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Author Van Holsbeke, C.S.; Verhulst, S.L.; Vos, W.G.; de Backer, J.W.; Vinchurkar, S.C.; Verdonck, P.R.; van Doorn, J.W.D.; Nadjmi, N.; de Backer, W.A.
Title Change in upper airway geometry between upright and supine position during tidal nasal breathing Type (up) A1 Journal article
Year 2014 Publication Journal Of Aerosol Medicine And Pulmonary Drug Delivery Abbreviated Journal J Aerosol Med Pulm D
Volume 27 Issue 1 Pages 51-57
Keywords A1 Journal article; Biophysics and Biomedical Physics; Condensed Matter Theory (CMT); Laboratory Experimental Medicine and Pediatrics (LEMP); Translational Neurosciences (TNW)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000331144500007 Publication Date 2013-03-19
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1941-2711;1941-2703; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.528 Times cited 16 Open Access
Notes ; ; Approved Most recent IF: 2.528; 2014 IF: 2.798
Call Number UA @ lucian @ c:irua:115759 Serial 308
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Author Neyts, E.C.; van Duin, A.C.T.; Bogaerts, A.
Title Changing chirality during single-walled carbon nanotube growth : a reactive molecular dynamics/Monte Carlo study Type (up) A1 Journal article
Year 2011 Publication Journal of the American Chemical Society Abbreviated Journal J Am Chem Soc
Volume 133 Issue 43 Pages 17225-17231
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract The growth mechanism and chirality formation of a single-walled carbon nanotube (SWNT) on a surface-bound nickel nanocluster are investigated by hybrid reactive molecular dynamics/force-biased Monte Carlo simulations. The validity of the interatomic potential used, the so-called ReaxFF potential, for simulating catalytic SWNT growth is demonstrated. The SWNT growth process was found to be in agreement with previous studies and observed to proceed through a number of distinct steps, viz., the dissolution of carbon in the metallic particle, the surface segregation of carbon with the formation of aggregated carbon clusters on the surface, the formation of graphitic islands that grow into SWNT caps, and finally continued growth of the SWNT. Moreover, it is clearly illustrated in the present study that during the growth process, the carbon network is continuously restructured by a metal-mediated process, thereby healing many topological defects. It is also found that a cap can nucleate and disappear again, which was not observed in previous simulations. Encapsulation of the nanoparticle is observed to be prevented by the carbon network migrating as a whole over the cluster surface. Finally, for the first time, the chirality of the growing SWNT cap is observed to change from (11,0) over (9,3) to (7,7). It is demonstrated that this change in chirality is due to the metal-mediated restructuring process.
Address
Corporate Author Thesis
Publisher Place of Publication Washington, D.C. Editor
Language Wos 000297380900026 Publication Date 2011-10-06
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0002-7863;1520-5126; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 13.858 Times cited 116 Open Access
Notes Approved Most recent IF: 13.858; 2011 IF: 9.907
Call Number UA @ lucian @ c:irua:92043 Serial 309
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