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“CFD modelling of small particle dispersion: the influence of the turbulence kinetic energy in the atmospheric boundary layer”. Gorlé, C, van Beeck J, Rambaud P, Van Tendeloo G, Atmospheric environment : an international journal 43, 673 (2009). http://doi.org/10.1016/j.atmosenv.2008.09.060
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.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 3.629
Times cited: 79
DOI: 10.1016/j.atmosenv.2008.09.060
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“Characterization of nano-crystalline diamond films grown under continuous DC bias during plasma enhanced chemical vapor deposition”. Mortet V, Zhang L, Echert M, Soltani A, d' Haen J, Douheret O, Moreau M, Osswald S, Neyts E, Troadec D, Wagner P, Bogaerts A, Van Tendeloo G, Haenen K, Materials Research Society symposium proceedings (2009). http://doi.org/10.1557/PROC-1203-J05-03
Abstract: Nanocrystalline diamond films have generated much interested due to their diamond-like properties and low surface roughness. Several techniques have been used to obtain a high re-nucleation rate, such as hydrogen poor or high methane concentration plasmas. In this work, the properties of nano-diamond films grown on silicon substrates using a continuous DC bias voltage during the complete duration of growth are studied. Subsequently, the layers were characterised by several morphological, structural and optical techniques. Besides a thorough investigation of the surface structure, using SEM and AFM, special attention was paid to the bulk structure of the films. The application of FTIR, XRD, multi wavelength Raman spectroscopy, TEM and EELS yielded a detailed insight in important properties such as the amount of crystallinity, the hydrogen content and grain size. Although these films are smooth, they are under a considerable compressive stress. FTIR spectroscopy points to a high hydrogen content in the films, while Raman and EELS indicate a high concentration of sp2 carbon. TEM and EELS show that these films consist of diamond nano-grains mixed with an amorphous sp2 bonded carbon, these results are consistent with the XRD and UV Raman spectroscopy data.
Keywords: A3 Journal article; Electron microscopy for materials research (EMAT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
DOI: 10.1557/PROC-1203-J05-03
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“Clinical applications of image-based airway computational fluid dynamics: assessment of inhalation medication and endobronchial devices”. de Backer JW, Vos WG, Germonpré, P, Salgado R, Parizel PM, de Backer W, Proceedings of the Society of Photo-optical Instrumentation Engineers 7262, 72621p (2009). http://doi.org/10.1117/12.811476
Abstract: Computational fluid dynamics (CFD) is a technique that is used increasingly in the biomedical field. Solving the flow equations numerically provides a convenient way to assess the efficiency of therapies and devices, ranging from cardiovascular stents and heart valves to hemodialysis workflows. Also in the respiratory field CFD has gained increasing interest, especially through the combination of three dimensional image reconstruction which results in highend patient-specific models. This paper provides an overview of clinical applications of CFD through image based modeling, resulting from recent studies performed in our center. We focused on two applications: assessment of the efficiency of inhalation medication and analysis of endobronchial valve placement. In the first application we assessed the mode of action of a novel bronchodilator in 10 treated patients and 4 controls. We assessed the local volume increase and resistance change based on the combination of imaging and CFD. We found a good correlation between the changes in volume and resistance coming from the CFD results and the clinical tests. In the second application we assessed the placement and effect of one way endobronchial valves on respiratory function in 6 patients. We found a strong patientspecific result of the therapy where in some patients the therapy resulted in complete atelectasis of the target lobe while in others the lobe remained inflated. We concluded from these applications that CFD can provide a better insight into clinically relevant therapies.
Keywords: A3 Journal article; Condensed Matter Theory (CMT); Antwerp Surgical Training, Anatomy and Research Centre (ASTARC); Laboratory Experimental Medicine and Pediatrics (LEMP)
DOI: 10.1117/12.811476
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“Cluster issue on plasma modelling”. van Dijk J, Kroesen GMW, Bogaerts A London (2009).
Keywords: ME3 Book as editor; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
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“Coherent three-level mixing in an electronic quantum dot”. Payette C, Yu G, Gupta JA, Austing DG, Nair SV, Partoens B, Amaha S, Tarucha S, Physical review letters 102, 026808 (2009). http://doi.org/10.1103/PhysRevLett.102.026808
Abstract: We observe magnetic-field-induced level mixing and quantum superposition phenomena between three approaching single-particle states in a quantum dot probed via the ground state of an adjacent quantum dot by single-electron resonant tunneling. The mixing is attributed to anisotropy and anharmonicity in realistic dot confining potentials. The pronounced anticrossing and transfer of strengths (both enhancement and suppression) between resonances can be understood with a simple coherent level mixing model. Superposition can lead to the formation of a dark state by complete cancellation of an otherwise strong resonance, an effect resembling coherent population trapping in a three-level-system of quantum and atom optics.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 8.462
Times cited: 26
DOI: 10.1103/PhysRevLett.102.026808
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“Collective vortex phases in periodic plus random pinning potential”. Pogosov WV, Misko VR, Zhao HJ, Peeters FM, Physical review : B : solid state 79, 014504 (2009). http://doi.org/10.1103/PhysRevB.79.014504
Abstract: We study theoretically the simultaneous effect of regular and random pinning potentials on the vortex lattice structure at filling factor of 1. This structure is determined by a competition between the square symmetry of regular pinning array, by the intervortex interaction favoring a triangular symmetry, and by the randomness trying to depin vortices from their regular positions. Both analytical and molecular-dynamics approaches are used. We construct a phase diagram of the system in the plane of regular and random pinning strengths and determine typical vortex lattice defects appearing in the system due to the disorder. We find that the total disordering of the vortex lattice can occur either in one step or in two steps. For instance, in the limit of weak pinning, a square lattice of pinned vortices is destroyed in two steps. First, elastic chains of depinned vortices appear in the film; but the vortex lattice as a whole remains still pinned by the underlying square array of regular pinning sites. These chains are composed into fractal-like structures. In a second step, domains of totally depinned vortices are generated and the vortex lattice depins from regular array.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.836
Times cited: 14
DOI: 10.1103/PhysRevB.79.014504
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“Combined TiO2/SiO2 mesoporous photocatalysts with location and phase controllable TiO2 nanoparticles”. Beyers E, Biermans E, Ribbens S, de Witte K, Mertens M, Meynen V, Bals S, Van Tendeloo G, Vansant EF, Cool P, Applied catalysis : B : environmental 88, 515 (2009). http://doi.org/10.1016/j.apcatb.2008.10.009
Abstract: Combined TiO2/SiO2 mesoporous materials were prepared by deposition of TiO2 nanoparticles synthesised via the acid-catalysed solgel method. In the first synthesis step a titania solution is prepared, by dissolving titaniumtetraisopropoxide in nitric acid. The influences of the initial titaniumtetraisopropoxide concentration and the temperature of dissolving on the final structural properties were investigated. In the second step of the synthesis, the titania nanoparticles were deposited on a silica support. Here, the influence of the temperature during deposition was studied. The depositions were carried out on two different mesoporous silica supports, SBA-15 and MCF, leading to substantial differences in the catalytic and structural properties. The samples were analysed with N2-sorption, X-ray diffraction (XRD), electron probe microanalysis (EPMA) and transmission electron microscopy (TEM) to obtain structural information, determining the amount of titania, the crystal phase and the location of the titania particles on the mesoporous material (inside or outside the mesoporous channels). The structural differences of the support strongly determine the location of the nanoparticles and the subsequent photocatalytic activity towards the degradation of rhodamine 6G in aqueous solution under UV irradiation.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT); Laboratory of adsorption and catalysis (LADCA)
Impact Factor: 9.446
Times cited: 69
DOI: 10.1016/j.apcatb.2008.10.009
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“Comment on ALaMn2O6-y (A = K, Rb): novel ferromagnetic manganites exhibiting negative giant magnetoresistance”. Hadermann J, Abakumov AM, Van Rompaey S, Mankevich AS, Korsakov IE, Chemistry of materials 21, 2000 (2009). http://doi.org/10.1021/cm900298a
Keywords: Editorial; Electron microscopy for materials research (EMAT)
Impact Factor: 9.466
Times cited: 4
DOI: 10.1021/cm900298a
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“Composite vortex ordering in superconducting films with arrays of blind holes”. Berdiyorov GR, Milošević, MV, Peeters FM, New journal of physics 11, 013025 (2009). http://doi.org/10.1088/1367-2630/11/1/013025
Abstract: The pinning properties of a superconducting thin film with a square array of blind holes are studied using the nonlinear GinzburgLandau theory. Although blind holes provide a weaker pinning potential than holes (also called antidots), several novel vortex structures are predicted for different size and thickness of the blind holes. Orientational dimer and trimer vortex states as well as concentric vortex shells can nucleate in the blind holes. In addition, we predict the stabilization of giant vortices that may be located both in the pinning centers and/or at the interstitial sites, as well as the combination of giant vortices with sets of individual vortices. For large blind holes, local vortex shell structures inside the blind holes may transfer their symmetry to interstitial vortices as well. The subtle interplay of shell formation and traditional Abrikosov vortex lattices inside the blind holes is also studied for different numbers of trapped vortices.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.786
Times cited: 33
DOI: 10.1088/1367-2630/11/1/013025
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“Compositional changes of Pd-Au bimetallic nanoclusters upon hydrogenation”. di Vece M, Bals S, Lievens P, Van Tendeloo G, Physical review : B : solid state 80, 125420 (2009). http://doi.org/10.1103/PhysRevB.80.125420
Abstract: Changes in the size distribution and composition of bimetallic Pd-Au nanoclusters have been observed after hydrogen exposure. This effect is caused by hydrogen-induced Ostwald ripening whereby the hydrogen reduces the binding energy of the cluster atoms leading to their detachment from the cluster. The composition changes due to a difference in mobility of the detached palladium and gold atoms on the surface. Fast palladium atoms contribute to the formation of larger nanoclusters, while the slower gold atoms are confined to the smaller nanoclusters. These transformations in the Pd-Au nanocluster size and composition set a limit for chemical reactions in which such nanoclusters are involved together with hydrogen.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 3.836
Times cited: 28
DOI: 10.1103/PhysRevB.80.125420
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“Computation and parametrization of the temperature dependence of Debye-Waller factors for group IV, III-V and II-VI semiconductors”. Schowalter M, Rosenauer A, Titantah JT, Lamoen D, Acta crystallographica: section A: foundations of crystallography 65, 5 (2009). http://doi.org/10.1107/S0108767308031437
Abstract: We calculated the temperature dependence of the Debye-Waller factors for a variety of group IV, III-V and II-VI semiconductors from 0.1 to 1000 K. The approach used to fit the temperature dependence is described and resulting fit parameters are tabulated for each material. The Debye-Waller factors are deduced from generalized phonon densities of states which were derived from first principles using the WIEN2k and the ABINIT codes.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 5.725
Times cited: 51
DOI: 10.1107/S0108767308031437
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“Computer modeling of plasmas and plasma-surface interactions”. Bogaerts A, Bultinck E, Eckert M, Georgieva V, Mao M, Neyts E, Schwaederlé, L, Plasma processes and polymers 6, 295 (2009). http://doi.org/10.1002/ppap.200800207
Abstract: In this paper, an overview is given of different modeling approaches used for describing gas discharge plasmas, as well as plasma-surface interactions. A fluid model is illustrated for describing the detailed plasma chemistry in capacitively coupled rf discharges. The strengths and limitations of Monte Carlo simulations and of a particle-in-cell-Monte Carlo collisions model are explained for a magnetron discharge, whereas the capabilities of a hybrid Monte Carlo-fluid approach are illustrated for a direct current glow discharge used for spectrochemical analysis of materials. Finally, some examples of molecular dynamics simulations, for the purpose of plasma-deposition, are given.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 2.846
Times cited: 18
DOI: 10.1002/ppap.200800207
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“Computer modelling of magnetron discharges”. Bogaerts A, Bultinck E, Kolev I, Schwaederlé, L, van Aeken K, Buyle G, Depla D, Journal of physics: D: applied physics 42, 194018 (2009). http://doi.org/10.1088/0022-3727/42/19/194018
Abstract: In this paper, some modelling approaches to describe direct current (dc) magnetron discharges developed in our research groups will be presented, including an analytical model, Monte Carlo simulations for the electrons and for the sputtered atoms, a hybrid Monte Carlo-fluid model and particle-in-cell-Monte Carlo collision simulations. The strengths and limitations of the various modelling approaches will be explained, and some characteristic simulation results will be illustrated. Furthermore, some other simulation methods related to the magnetron device will be briefly explained, more specifically for calculating the magnetic field distribution inside the discharge, and for describing the (reactive) sputtering.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 2.588
Times cited: 32
DOI: 10.1088/0022-3727/42/19/194018
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“Confinement effects on intermediate-state flux patterns in mesoscopic type-I superconductors”. Berdiyorov GR, Hernandez AD, Peeters FM, Physical review letters 103, 267002 (2009). http://doi.org/10.1103/PhysRevLett.103.267002
Abstract: Intermediate-state flux structures in mesoscopic type-I superconductors are studied within the Ginzburg-Landau theory. In addition to well-established tubular and laminar structures, the strong confinement leads to the formation of (i) a phase of singly quantized vortices, which is typical for type-II superconductors and (ii) a ring of a normal domain at equilibrium. The stability region and the formation process of these intermediate-state structures are strongly influenced by the geometry of the sample.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 8.462
Times cited: 28
DOI: 10.1103/PhysRevLett.103.267002
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“Continuum vs. discrete flux behaviour in large mesoscopic Bi2Sr2CaCu2O8+\delta disks”. Connolly MR, Milošević, MV, Bending SJ, Clem JR, Tamegai T, Europhysics letters 85, 17008 (2009). http://doi.org/10.1209/0295-5075/85/17008
Abstract: Scanning Hall probe and local Hall magnetometry measurements have been used to investigate flux distributions in large mesoscopic superconducting disks with sizes that lie near the crossover between the bulk and mesoscopic vortex regimes. Results obtained by directly mapping the magnetic induction profiles of the disks at different applied fields can be quite successfully fitted to analytic models which assume a continuous distribution of flux in the sample. At low fields, however, we do observe clear signatures of the underlying discrete vortex structure and can resolve the characteristic mesoscopic compression of vortex clusters in increasing magnetic fields. Even at higher fields, where single-vortex resolution is lost, we are still able to track configurational changes in the vortex patterns, since competing vortex orders impose unmistakable signatures on “local” magnetisation curves as a function of the applied field. Our observations are in excellent agreement with molecular-dynamics numerical simulations which lead us to a natural definition of the lengthscale for the crossover between discrete and continuum behaviours in our system.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 1.957
Times cited: 17
DOI: 10.1209/0295-5075/85/17008
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“Control and readout of current-induced magnetic flux quantization in a superconducting transformer”. Kerner C, Hackens B, Golubović, DS, Poli S, Faniel S, Magnus W, Schoenmaker W, Bayot V, Maes H, Superconductor science and technology 22, 025001 (2009). http://doi.org/10.1088/0953-2048/22/2/025001
Abstract: We demonstrate a simple and robust method for inducing and detecting changes of magnetic flux quantization in the absence of an externally applied magnetic field. In our device, an isolated ring is interconnected with two access loops via permalloy cores, forming a superconducting transformer. By applying and tuning a direct current at the first access loop, the number of flux quanta trapped in the isolated ring is modified without the aid of an external field. The flux state of the isolated ring is simply detected by recording the evolution of the critical current of the second access loop.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 2.878
Times cited: 2
DOI: 10.1088/0953-2048/22/2/025001
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“The crystal structure of \alpha-K3AIF6: elpasolites and double perovskites with broken corner-sharing connectivity of the octahedral framework”. Abakumov AM, King G, Laurinavichute VK, Rozova MG, Woodward PM, Antipov EV, Inorganic chemistry 48, 9336 (2009). http://doi.org/10.1021/ic9013043
Abstract: The crystal structure of α-K3AlF6 was solved and refined from a combination of powder X-ray and neutron diffraction data (a = 18.8385(3)Å, c = 33.9644(6)Å, S.G. I41/a, Z = 80, RP(X-ray) = 0.037, RP(neutron) = 0.053). The crystal structure is of the A2BB′X6 elpasolite type with the a = b ≈ ae√5, c = 4ae superstructure (ae, parameter of the elpasolite subcell) and rock-salt-type ordering of the K and Al cations over the B and B′ positions, respectively. The remarkable feature of α-K3AlF6 is a rotation of 2/5 of the AlF6 octahedra by π/4 around one of the crystal axes of the elpasolite subcell, coinciding with the 4-fold symmetry axes of the AlF6 octahedra. The rotation of the AlF6 octahedra replaces the corner-sharing between the K and Al polyhedra by edge-sharing, resulting in an increase of coordination numbers of the K cations at the B positions up to 7 and 8. Due to significant deformations of the K polyhedra, the corner-sharing connectivity of the octahedral elpasolite framework is broken and the rotations of the AlF6 octahedra do not have a cooperative character. Elpasolites and double perovskites with similar structural organization are discussed. The difference in ionic radii of the B and B′ cations as well as the tolerance factor are proposed to be the parameters governing the formation of elpasolites and double perovskites with broken corner-sharing connectivity of the octahedral framework.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 4.857
Times cited: 20
DOI: 10.1021/ic9013043
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“Crystal structure of the group of optical materials Ln2MeGe4O12 (Me = Ca, Mn)”. Tarakina NV, Zubkov VG, Leonidov II, Tyutunnik AP, Surat LL, Hadermann J, Van Tendeloo G, Zeitschrift für Kristallographie , 401 (2009). http://doi.org/10.1524/zksu.2009.0059
Abstract: The crystal structure of the group of optical materials Ln2MeGe4O12, Ln = Eu, Gd, Dy-Lu, Y; Me = Ca, Mn and of the solid solution (Y1-xErx)2CaGe4O12 (x = 0 – 1), promising materials for photonics, has been studied in detail. The crystal structure of all compounds exhibit two alternating layers: one formed by Ln and Me atoms and another by cyclic [Ge4O12]8- anions.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Times cited: 7
DOI: 10.1524/zksu.2009.0059
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“Crystallographic plane tuning of charge and spin transport in semiconductor quantum wires”. Wang M, Chang K, Wang LG, Dai N, Peeters FM, Nanotechnology 20, 365202 (2009). http://doi.org/10.1088/0957-4484/20/36/365202
Abstract: We investigate theoretically the charge and spin transport in quantum wires grown along different crystallographic planes in the presence of the Rashba spinorbit interaction (RSOI) and the Dresselhaus spinorbit interaction (DSOI). We find that changing the crystallographic planes leads to a variation of the anisotropy of the conductance due to a different interplay between the RSOI and DSOI, since the DSOI is induced by bulk inversion asymmetry, which is determined by crystallographic plane. This interplay depends sensitively on the crystallographic planes, and consequently leads to the anisotropic charge and spin transport in quantum wires embedded in different crystallographic planes.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.44
Times cited: 14
DOI: 10.1088/0957-4484/20/36/365202
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“CVD of copper oxides from a \beta-diketonate diamine precursor: tailoring the nano-organization”. Barreca D, Gasparotto A, Maccato C, Tondello E, Lebedev OI, Van Tendeloo G, Crystal growth &, design 9, 2470 (2009). http://doi.org/10.1021/cg801378x
Abstract: A copper(II) hexafluoroacetylacetonate (1,1,1,5,5,5-hexafluoro-2,4-pentanedionate, hfa) adduct with N,N,N¡ä,N¡ä-tetramethylethylenediamine (TMEDA) [Cu(hfa)2¡¤TMEDA] is used for the first time as precursor for the chemical vapor deposition (CVD) of copper oxide nanosystems. The syntheses are carried out under both O2 and O2+H2O reaction atmospheres on Si(100) substrates, at temperatures ranging between 250 and 550 ¡ãC. Subsequently, the interrelations between the preparative conditions and the system composition, nanostructure, and morphology are elucidated by means of complementary analytical techniques [Fourier transform infrared spectroscopy (FT-IR), X-ray photoelectron and X-ray excited auger electron spectroscopies (XPS and XE-AES), glancing incidence X-ray diffraction (GIXRD), field emission scanning electron microscopy (FESEM), transmission electron microscopy (TEM)]. The obtained data revealed a gradual transformation from Cu2O, to Cu2O + CuO, to CuO nanosystems upon increasing the deposition temperature from 250 to 550 ¡ãC under both growth atmospheres. Such a phenomenon was accompanied by a progressive morphological evolution from continuous films to 1D hyperbranched nanostructures. Water vapor introduction in the deposition environment enabled to lower the deposition temperature and resulted in a higher aggregate interconnection, attributed to a higher density of nucleation centers.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 4.055
Times cited: 60
DOI: 10.1021/cg801378x
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“Deconvolution of core electron energy loss spectra”. Verbeeck J, Bertoni G, Ultramicroscopy 109, 1343 (2009). http://doi.org/10.1016/j.ultramic.2009.06.010
Abstract: Different deconvolution methods for removing multiple scattering and instrumental broadening from core loss electron energy loss spectra are compared with special attention to the artefacts they introduce. The Gaussian modifier method, Wiener filter, maximum entropy, and model based methods are described. Their performance is compared on virtual spectra where the true single scattering distribution is known. A test on experimental spectra confirms the good performance of model based deconvolution in comparison to maximum entropy methods and shows the advantage of knowing the estimated error bars from a single spectrum acquisition.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 2.843
Times cited: 13
DOI: 10.1016/j.ultramic.2009.06.010
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“Density-functional theory calculations of the electron energy-loss near-edge structure of Li-intercalated graphite”. Titantah JT, Lamoen D, Schowalter M, Rosenauer A, Carbon 47, 2501 (2009). http://doi.org/10.1016/j.carbon.2009.05.002
Abstract: We have studied the structural and electronic properties of lithium-intercalated graphite (LIG) for various Li content. Atomic relaxation shows that Li above the center of the carbon hexagon in a AAAA stacked graphite is the only stable Li configuration in stage 1 intercalated graphite. Lithium and Carbon 1s energy-loss near-edge structure (ELNES) calculations are performed on the Li-intercalated graphite using the core-excited density-functional theory formulation. Several features of the Li 1s ELNES are correlated with reported experimental features. The ELNES spectra of Li is found to be electron beam orientation sensitive and this property is used to assign the origin of the various Li 1s ELNES features. Information about core-hole screening by the valence electrons and charge transfer in the LIG systems is obtained from the C 1s ELNES and valence charge density difference calculations, respectively.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 6.337
Times cited: 12
DOI: 10.1016/j.carbon.2009.05.002
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“Dependence of resistivity on electron density and temperature in graphene”. Xu W, Peeters FM, Lu TC, Physical review : B : solid state 79, 073403 (2009). http://doi.org/10.1103/PhysRevB.79.073403
Abstract: On the basis of the momentum-balance equation derived from the Boltzmann equation in which electron interactions with impurities and acoustic and optic phonons are included, we examine the dependence of the resistivity in graphene on temperature and electron density. Simple analytical expressions for the different contributions to the resistivity are obtained. Our results reproduce recent experimental findings and we are able to understand the different temperature dependence of the resistivity for low and high density samples.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.836
Times cited: 31
DOI: 10.1103/PhysRevB.79.073403
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“Description of the plasma chemistry in an atmospheric pressure CH4 dielectric barrier discharge using a two dimensional fluid model”. De Bie C, Martens T, van Dijk J, van der Mullen JJAM, Bogaerts A, , 13 (2009)
Keywords: P1 Proceeding; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
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“Determination of size, morphology, and nitrogen impurity location in treated detonation nanodiamond by transmission electron microscopy”. Turner S, Lebedev OI, Shenderova O, Vlasov II, Verbeeck J, Van Tendeloo G, Advanced functional materials 19, 2116 (2009). http://doi.org/10.1002/adfm.200801872
Abstract: Size, morphology, and nitrogen impurity location, all of which are all thought to be related to the luminescent properties of detonation nanodiamonds, are determined in several detonation nanodiamond samples using a combination of transmission electron microscopy techniques. Results obtained from annealed and cleaned detonation nanodiamond samples are compared to results from conventionally purified detonation nanodiamond. Detailed electron energy loss spectroscopy combined with model-based quantification provides direct evidence for the sp3 like embedding of nitrogen impurities into the diamond cores of all the studied nanodiamond samples. Simultaneously, the structure and morphology of the cleaned detonation nanodiamond particles are studied using high resolution transmission electron microscopy. The results show that the size and morphology of detonation nanodiamonds can be modified by temperature treatment and that by applying a special cleaning procedure after temperature treatment, nanodiamond particles with clean facets almost free from sp2 carbon can be prepared. These clean facets are clear evidence that nanodiamond cores are not necessarily in coexistence with a graphitic shell of non-diamond carbon.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 12.124
Times cited: 100
DOI: 10.1002/adfm.200801872
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“Diamond nucleation by carbon transport from buried nanodiamond TiO2 sol-gel composites”. Doenen M, Zhang L, Erni R, Williams OA, Hardy A, van Bael MK, Wagner P, Haenen K, Nesladek M, Van Tendeloo G, Advanced materials 21, 670 (2009). http://doi.org/10.1002/adma.200802305
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 19.791
Times cited: 20
DOI: 10.1002/adma.200802305
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“Dielectric mismatch effect on coupled impurity states in a freestanding nanowire”. Li B, Partoens B, Peeters FM, Magnus W, Microelectronics journal 40, 446 (2009). http://doi.org/10.1016/j.mejo.2008.06.028
Abstract: We studied the coupled impurity states in a freestanding semiconductor nanowire (NW), within the effective mass approximation and including the effect of the dielectric mismatch, by using finite element method. Bonding and anti-bonding states are found and their energies converge with increasing distance di between the two impurities. The dependence of the binding energy on the wire radius R and the distance di between the two impurities is investigated, and we compare it with the result of a freestanding NW that contains a single impurity.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 1.163
Times cited: 4
DOI: 10.1016/j.mejo.2008.06.028
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“Dielectric mismatch effect on coupled shallow impurity states in a semiconductor nanowire”. Li B, Partoens B, Peeters FM, Magnus W, Physical review : B : solid state 79, 085306 (2009). http://doi.org/10.1103/PhysRevB.79.085306
Abstract: Coupled shallow impurity states in a freestanding semiconductor nanowire and in a semiconductor nanowire surrounded by a metallic gate are studied within the effective-mass approximation. Bonding and antibonding states are found due to the coupling of the two impurities, and their energy converges with increasing distance di between the two impurities. The dependences of the binding energy on the wire radius R, the distance di between the two impurities, and the impurity radial position in the nanowire are examined.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.836
Times cited: 11
DOI: 10.1103/PhysRevB.79.085306
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“Dirac electrons in a Kronig-Penney potential: dispersion relation and transmission periodic in the strength of the barriers”. Barbier M, Vasilopoulos P, Peeters FM, Physical review : B : solid state 80, 205415 (2009). http://doi.org/10.1103/PhysRevB.80.205415
Abstract: The transmission T and conductance G through one or multiple one-dimensional, ä-function barriers of two-dimensional fermions with a linear energy spectrum are studied. T and G are periodic functions of the strength P of the ä-function barrier V(x,y)/ℏvF=Pä(x). The dispersion relation of a Kronig-Penney (KP) model of a superlattice is also a periodic function of P and causes collimation of an incident electron beam for P=2ðn and n integer. For a KP superlattice with alternating sign of the height of the barriers the Dirac point becomes a Dirac line for P=(n+1/2)ð.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.836
Times cited: 93
DOI: 10.1103/PhysRevB.80.205415
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“Direct room-temperature synthesis of methyl-functionalized Ti-MCM-41 nanoparticles and their catalytic performance in epoxidation”. Lin K, Pescarmona PP, Houthoofd K, Liang D, Van Tendeloo G, Jacobs PA, Journal of catalysis 263, 75 (2009). http://doi.org/10.1016/j.jcat.2009.01.013
Abstract: Methyl-functionalized Ti-MCM-41 nanoparticles with a size of 80 to 160 nm (Me-Ti-MCM-41 NP) were directly prepared via a dilute solution route by the co-condensation of tetraethoxysilane and methylalkoxysilanes in sodium hydroxide medium at room temperature. The characterization results showed the existence of ordered hexagonal mesoporous structure and tetrahedral Ti species in the nanoparticles. In the epoxidation of cyclohexene with tert-butyl hydroperoxide and aqueous H2O2, Me-Ti-MCM-41 NP samples displayed higher turnover frequencies (TOFs) for cyclohexene and initial reaction rates compared to Ti-MCM-41 and methyl-functionalized Ti-MCM-41 with normal particle size and to non-functionalized Ti-MCM-41 nanoparticles. Simultaneously, a higher selectivity for cyclohexene epoxide was observed in the case of aqueous H2O2, suggesting that the hydrolysis of cyclohexene epoxide with water is reduced on Me-Ti-MCM-41 NP samples. The improved catalytic behavior of Me-Ti-MCM-41 NP is discussed both in terms of the nanosize and methylation of the surface of the catalyst particles. The regeneration of Me-Ti-MCM-41 NP with tert-butyl hydroperoxide solution was evaluated via washing and calcination approaches.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 6.844
Times cited: 89
DOI: 10.1016/j.jcat.2009.01.013
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