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“Aharonov-Bohm oscillations in phosphorene quantum rings”. Li LL, Moldovan D, Vasilopoulos P, Peeters FM, Physical review B 95, 205426 (2017). http://doi.org/10.1103/PHYSREVB.95.205426
Abstract: The Aharonov-Bohm (AB) effect in square phosphorene quantum rings, with armchair and zigzag edges, is investigated using the tight-binding method. The energy spectra and wave functions of such rings, obtained as a function of the magnetic flux Phi threading the ring, are strongly influenced by the ringwidthW, an in-plane electric field E-p, and a side-gating potential V-g. Compared to a square dot, the ring shows an enhanced confinement due to its inner edges and an interedge coupling along the zigzag direction, both of which strongly affect the energy spectrum and the wave functions. The energy spectrum that is gapped consists of a regular part, of conduction (valence) band states, that shows the usual AB oscillations in the higher-(lower-) energy region, and of edge states, in the gap, that exhibit no AB oscillations. As the width W decreases, the AB oscillations become more distinct and regular and their period is close to Phi(0)/2, where the flux quantum Phi(0) = h/e is the period of an ideal circular ring (W -> 0). Both the electric field E-p and the side-gating potential V-g reduce the amplitude of the AB oscillations. The amplitude can be effectively tuned by E-p or V-g and exhibits an anisotropic behavior for different field directions or side-gating configurations.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.836
Times cited: 16
DOI: 10.1103/PHYSREVB.95.205426
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“Cation ordering within the perovskite block of a six-layer Ruddlesden-Popper oxide from layer-by-layer growth artificial interfaces in complex unit cells”. Yan L, Niu HJ, Duong GV, Suchomel MR, Bacsa J, Chalker PR, Hadermann J, Van Tendeloo G, Rosseinsky MJ, Chemical science 2, 261 (2011). http://doi.org/10.1039/c0sc00482k
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.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 8.668
Times cited: 16
DOI: 10.1039/c0sc00482k
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“Multiwalled carbon nanotubes functionalized with 7-octenyltrichlorosilane and n-octyltrichlorosilane: dispersion in Sylgard®184 silicone and Youngs modulus”. Vast L, Carpentier L, Lallemand F, Colomer J-F, Van Tendeloo G, Fonseca A, Nagy JB, Mekhalif Z, Delhalle J, Journal of materials science 44, 3476 (2009). http://doi.org/10.1007/s10853-009-3464-1
Abstract: Sylgard®184/multiwalled carbon nanotube (MWNT) composites have been prepared by in situ polymerization using purified and functionalized multiwalled carbon nanotubes (f-MWNTs) as fillers. Surface modification of the MWNTs has been carried out by silanization with 7-octenyltrichlorosilane (7OTCS) and n-octyltrichlorosilane (nOTCS). The modification and dispersion of the carbon nanotubes in composites were characterized by X-ray photoelectron spectroscopy (XPS), transmission electron spectroscopy (TEM), and high-resolution transmission electron spectroscopy (HRTEM). Youngs modulus results were derived from indentation testing. It is shown that the terminal-vinyl group of 7OTCS molecules plays an essential role for both the dispersion of the f-MWNTs in the composite and its mechanical properties. At loading as low as 0.2 wt%, the Youngs modulus is shown to increase up to 50%. This is interpreted as resulting from a combination of the good compatibility in the forming silicone matrix of the MWNTs coated with a siloxane network, on the one hand, and the covalent links created between the terminal-vinyl groups and the host matrix in formation, on the other hand.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 2.599
Times cited: 16
DOI: 10.1007/s10853-009-3464-1
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“Homogeneous Protein Analysis by Magnetic Core-Shell Nanorod Probes”. Schrittwieser S, Pelaz B, Parak WJ, Lentijo-Mozo S, Soulantica K, Dieckhoff J, Ludwig F, Altantzis T, Bals S, Schotter J, ACS applied materials and interfaces 8, 8893 (2016). http://doi.org/10.1021/acsami.5b11925
Abstract: Studying protein interactions is of vital importance both to fundamental biology research and to medical applications. Here, we report on the experimental proof of a universally applicable label-free homogeneous platform for rapid protein analysis. It is based on optically detecting changes in the rotational dynamics of magnetically agitated core-shell nanorods upon their specific interaction with proteins. By adjusting the excitation frequency, we are able to optimize the measurement signal for each analyte protein size. In addition, due to the locking of the optical signal to the magnetic excitation frequency, background signals are suppressed, thus allowing exclusive studies of processes at the nanoprobe surface only. We study target proteins (soluble domain of the human epidermal growth factor receptor 2 – sHER2) specifically binding to antibodies (trastuzumab) immobilized on the surface of our nanoprobes and demonstrate direct deduction of their respective sizes. Additionally, we examine the dependence of our measurement signal on the concentration of the analyte protein, and deduce a minimally detectable sHER2 concentration of 440 pM. For our homogeneous measurement platform, good dispersion stability of the applied nanoprobes under physiological conditions is of vital importance. To that end, we support our measurement data by theoretical modeling of the total particle-particle interaction energies. The successful implementation of our platform offers scope for applications in biomarker-based diagnostics as well as for answering basic biology questions.
Keywords: A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Impact Factor: 7.504
Times cited: 16
DOI: 10.1021/acsami.5b11925
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“Preparation, microstructure characterization and catalytic performance of Cu/ZnO and ZnO/Cu composite nanoparticles for liquid phase methanol synthesis”. Sliem MA, Turner S, Heeskens D, Kalidindi SB, Van Tendeloo G, Muhler M, Fischer RA, Physical chemistry, chemical physics 14, 8170 (2012). http://doi.org/10.1039/c2cp40482f
Abstract: Stearate@Cu/ZnO nanocomposite particles with molar ratios of ZnO ∶ Cu = 2 and 5 are synthesized by reduction of the metalorganic Cu precursor [Cu{(OCH(CH3)CH2N(CH3)2)}2] in the presence of stearate@ZnO nanoparticles. In the case of ZnO ∶ Cu = 5, high-angle annular dark field-scanning transmission electron microscopy (HAADF-STEM) combined with electron-energy-loss-spectroscopy (EELS) as well as attenuated total reflection Fourier transform infrared (ATR-IR) spectroscopy are used to localize the small amount of Cu deposited on the surface of 35 nm sized stearate@ZnO particles. For ZnO ∶ Cu = 2, the microstructure of the nanocomposites after catalytic activity testing is characterized by HAADF-STEM techniques. This reveals the construction of large Cu nanoparticles (2050 nm) decorated by small ZnO nanoparticles (35 nm). The catalytic activity of both composites for the synthesis of methanol from syn gas is evaluated.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 4.123
Times cited: 16
DOI: 10.1039/c2cp40482f
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“Phonon hydrodynamics, thermal conductivity, and second sound in two-dimensional crystals”. Scuracchio P, Michel KH, Peeters FM, Physical review B 99, 144303 (2019). http://doi.org/10.1103/PHYSREVB.99.144303
Abstract: Starting from our previous work in which we obtained a system of coupled integrodifferential equations for acoustic sound waves and phonon density fluctuations in two-dimensional (2D) crystals, we derive here the corresponding hydrodynamic equations, and we study their consequences as a function of temperature and frequency. These phenomena encompass propagation and damping of acoustic sound waves, diffusive heat conduction, second sound, and Poiseuille heat flow, all of which are characterized by specific transport coefficients. We calculate these coefficients by means of correlation functions without using the concept of relaxation time. Numerical calculations are performed as well in order to show the temperature dependence of the transport coefficients and of the thermal conductivity. As a consequence of thermal tension, mechanical and thermal phenomena are coupled. We calculate the dynamic susceptibilities for displacement and temperature fluctuations and study their resonances. Due to the thermomechanical coupling, the thermal resonances such as the Landau-Placzek peak and the second-sound doublet appear in the displacement susceptibility, and conversely the acoustic sound wave doublet appears in the temperature susceptibility, Our analytical results not only apply to graphene, but they are also valid for arbitrary 2D crystals with hexagonal symmetry, such as 2D hexagonal boron nitride, 2H-transition-metal dichalcogenides, and oxides.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.836
Times cited: 16
DOI: 10.1103/PHYSREVB.99.144303
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“Nanoscale analysis of interfaces in a metal/oxide/oxide trilayer obtained by pulsed laser deposition”. Fix T, Ulhaq-Bouillet C, Colis S, Dinia A, Bertoni G, Verbeeck J, Van Tendeloo G, Applied physics letters 91, 023106 (2007). http://doi.org/10.1063/1.2755699
Abstract: Sr2FeMoO6/SrTiO3/CoFe2 trilayers grown by pulsed laser deposition on SrTiO3 (001) are investigated by transmission electron microscopy and electron energy loss spectroscopy. The stack is epitaxial, independent of whether the CoFe2 electrode is grown at 500 or at 50 degrees C. Thus it is possible to obtain epitaxy near room temperature. The SrTiO3/CoFe2 interface is quite sharp, while the Sr2FeMoO6/SrTiO3 interface presents regions of Fe depletion. The chemical composition of the films is close to the nominal stoichiometries. These results could be useful for the growth of heteroepitaxial devices and magnetic tunnel junctions. (C) 2007 American Institute of Physics.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 3.411
Times cited: 16
DOI: 10.1063/1.2755699
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“A first principles study of p-type defects in LaCrO3”. Dabaghmanesh S, Sarmadian N, Neyts EC, Partoens B, Physical chemistry, chemical physics 19, 22870 (2017). http://doi.org/10.1039/C7CP03575F
Abstract: Recently, Sr-doped LaCrO3 has been experimentally introduced as a new p-type transparent conducting oxide. It is demonstrated that substituting Sr for La results in inducing p-type conductivity in LaCrO3. Performing first principles calculations we study the electronic structure and formation energy of various point defects in LaCrO3. Our results for the formation energies show that in addition to Sr, two more divalent defects, Ca and Ba, substituting for La in LaCrO3, behave as shallow acceptors in line with previous experimental reports. We further demonstrate that under oxygen-poor growth conditions, these shallow acceptors will be compensated by intrinsic donor-like defects (an oxygen vacancy and Cr on an oxygen site), but in the oxygen-rich growth regime the shallow acceptors have the lowest formation energies between all considered defects and will lead to p-type conductivity.
Keywords: A1 Journal article; Condensed Matter Theory (CMT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 4.123
Times cited: 16
DOI: 10.1039/C7CP03575F
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“Postsynthetic high-alumina zeolite crystal engineering in organic free hyper-alkaline media”. Van Tendeloo L, Wangermez W, Vandekerkhove A, Willhammar T, Bals S, Maes A, Martens JA, Kirschhock CEA, Breynaert E, Chemistry of materials 29, 629 (2017). http://doi.org/10.1021/ACS.CHEMMATER.6B04052
Abstract: Postsynthetic modification of high -alumina zeolites in hyper alkaline media can be tailored toward alteration of framework topology, crystal size and morphology, or desired Si/A1 ratio. FAU, EMT, MAZ, KFI, HEU, and LTA starting materials were treated with 1.2 M MOH (M = Na, K, RE, or Cs), leading to systematic ordered porosity or fully transformed frameworks with new topology and adjustable Si/Al ratio. In addition to the versatility of this tool for zeolite crystal engineering, these alterations improve understanding of the crystal chemistry. Such knowledge can guide further development in zeolite crystal engineering. Postsynthetic alteration also provides insight on the long-term stability of aluminosilicate zeolites that are used as a sorption sink in concrete -based waste disposal facilities in harsh alkaline conditions.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 9.466
Times cited: 16
DOI: 10.1021/ACS.CHEMMATER.6B04052
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“Vertically oriented nickel nanorod/carbon nanofiber core/shell structures synthesized by plasma-enhanced chemical vapor deposition”. He Z, Lee CS, Maurice J-L, Pribat D, Haghi-Ashtiani P, Cojocaru CS, Carbon 49, 4710 (2011). http://doi.org/10.1016/j.carbon.2011.06.075
Abstract: Plasma-enhanced chemical vapor deposition, without a nickel-containing gaseous precursor, was used to synthesize continuous nickel (Ni) nanorods inside the hollow cavity of carbon nanofibers (CNFs), thus forming vertically aligned Ni/CNF core/shell structures. Scanning and transmission electron microscopic images indicate that the elongated Ni nanorods originate from the catalyst particles at the tips of the CNFs and that their formation is due to the effect of extrusion induced by the compressive force of the graphene layers during growth. Different from previous work, each vertically-aligned core/shell structure reported is totally isolated from its neighbors. Continuous Ni nanorods are found to separate into smaller ones with increasing growth time, which was ascribed to (i) the limited amount of Ni available in the tip of the CNF, (ii) the polycrystalline nature of the Ni nanorods and (iii) the combined effects of the compressive stresses on the side of the Ni nanorods and of the tensile stress along their axis.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 6.337
Times cited: 16
DOI: 10.1016/j.carbon.2011.06.075
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“Dynamics of the superconducting condensate in the presence of a magnetic field : channelling of vortices in superconducting strips at high currents”. Vodolazov D, Baelus BJ, Peeters FM, Physica: C : superconductivity 404, 400 (2004). http://doi.org/10.1016/j.physc.2003.10.027
Abstract: On the basis of the time-dependent Ginzburg-Landau equation we studied the dynamics of the superconducting condensate in a wide two-dimensional sample in the presence of a perpendicular magnetic field and applied current. We could identify two critical currents: the current at which the pure superconducting state becomes unstable (J(c2)(1)) and the current at which the system transits from the resistive state to the superconducting state (J(c1) < J(c2)). The current J(c2) decreases monotonically with external magnetic field, while J(c1) exhibits a maximum at H*. For sufficient large magnetic fields the hysteresis disappears and J(c1) = J(c2) = Jc. In this high magnetic field region and for currents close to Jc the voltage appears as a result of the motion of separate vortices. With increasing current the moving vortices form,channels' with suppressed order parameter along which the vortices can move very fast. This leads to a sharp increase of the voltage. These 'channels' resemble in some respect the phase slip lines which occur at zero magnetic field. (C) 2004 Elsevier B.V. All rights reserved.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 1.404
Times cited: 16
DOI: 10.1016/j.physc.2003.10.027
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“Modeling of CO2plasma: effect of uncertainties in the plasma chemistry”. Berthelot A, Bogaerts A, Plasma sources science and technology 26, 115002 (2017). http://doi.org/10.1088/1361-6595/aa8ffb
Abstract: Low-temperature plasma chemical kinetic models are particularly important to the plasma community. These models typically require dozens of inputs, especially rate coefficients. The latter are not always precisely known and it is not surprising that the error on the rate coefficient data can propagate to the model output. In this paper, we present a model that uses N = 400 different combinations of rate coefficients based on the uncertainty attributed to each rate coefficient, giving a good estimation of the uncertainty on the model output due to the rate coefficients. We demonstrate that the uncertainty varies a lot with the conditions and the type of output. Relatively low uncertainties (about 15%) are found for electron density and temperature, while the uncertainty can reach more than an order of magnitude for the population of the vibrational levels in some cases and it can rise up to 100% for the CO2 conversion. The reactions that are mostly responsible for the largest uncertainties are identified. We show that the conditions of pressure, gas temperature and power density have a great effect on the uncertainty and on which reactions lead to this uncertainty. In all the cases tested here, while the absolute values may suffer from large uncertainties, the trends observed in previous modeling work are still valid. Finally, in accordance with the work of Turner, a number of ‘good practices’ is recommended.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 3.302
Times cited: 16
DOI: 10.1088/1361-6595/aa8ffb
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“Multiscale investigation of quasi-brittle fracture characteristics in a 9Cr–1Mo ferritic–martensitic steel embrittled by liquid lead–bismuth under low cycle fatigue”. Gong X, Marmy P, Volodin A, Amin-Ahmadi B, Qin L, Schryvers D, Gavrilov S, Stergar E, Verlinden B, Wevers M, Seefeldt M, Corrosion science 102, 137 (2016). http://doi.org/10.1016/j.corsci.2015.10.003
Abstract: Liquid metal embrittlement (LME) induced quasi-brittle fracture characteristics of a 9Cr–1Mo ferritic–martensitic steel (T91) after fatigue cracking in lead–bismuth eutectic (LBE) have been investigated at various length scales. The results show that the LME fracture morphology is primarily characterized by quasi-brittle translath flat regions partially covered by nanodimples, shallow secondary cracks propagating along the martensitic lath boundaries as well as tear ridges covered by micro dimples. These diverse LME fracture features likely indicate a LME mechanism involving multiple physical processes, such as weakening induced interatomic decohesion at the crack tip and plastic shearing induced nano/micro voiding in the plastic zone.
Keywords: A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Times cited: 16
DOI: 10.1016/j.corsci.2015.10.003
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“Heterogeneity of silica and glycan-epitope distribution in epidermal idioblast cell walls in Adiantum raddianum laminae”. Van Hoorebeke L, Leroux O, Leroux F, Mastroberti AA, Santos-Silva F, Van Loo D, Bagniewska-Zadworna A, Bals S, Popper ZA, de Araujo Mariath JE, Planta 237, 1453 (2013). http://doi.org/10.1007/s00425-013-1856-6
Abstract: Laminae of Adiantum raddianum Presl., a fern belonging to the family Pteridaceae, are characterised by the presence of epidermal fibre-like cells under the vascular bundles. These cells were thought to contain silica bodies, but their thickened walls leave no space for intracellular silica suggesting it may actually be deposited within their walls. Using advanced electron microscopy in conjunction with energy dispersive X-ray microanalysis we showed the presence of silica in the cell walls of the fibre-like idioblasts. However, it was specifically localised to the outer layers of the periclinal wall facing the leaf surface, with the thick secondary wall being devoid of silica. Immunocytochemical experiments were performed to ascertain the respective localisation of silica deposition and glycan polymers. Epitopes characteristic for pectic homogalacturonan and the hemicelluloses xyloglucan and mannan were detected in most epidermal walls, including the silica-rich cell wall layers. The monoclonal antibody, LM6, raised against pectic arabinan, labelled the silica-rich primary wall of the epidermal fibre-like cells and the guard cell walls, which were also shown to contain silica. We hypothesise that the silicified outer wall layers of the epidermal fibre-like cells support the lamina during cell expansion prior to secondary wall formation. This implies that silicification does not impede cell elongation. Although our results suggest that pectic arabinan may be implicated in silica deposition, further detailed analyses are needed to confirm this. The combinatorial approach presented here, which allows correlative screening and in situ localisation of silicon and cell wall polysaccharide distribution, shows great potential for future studies.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 3.361
Times cited: 16
DOI: 10.1007/s00425-013-1856-6
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“Orbital angular momentum in electron diffraction and its use to determine chiral crystal symmetries”. Juchtmans R, Verbeeck J, Physical review: B: condensed matter and materials physics 92, 134108 (2015). http://doi.org/10.1103/PhysRevB.92.134108
Abstract: In this work we present an alternative way to look at electron diffraction in a transmission electron microscope.
Instead of writing the scattering amplitude in Fourier space as a set of plane waves,we use the cylindrical Fourier transform to describe the scattering amplitude in a basis of orbital angular momentum (OAM) eigenstates. We show how working in this framework can be very convenient when investigating, e.g., rotation and screw-axis symmetries. For the latter we find selection rules on the OAM coefficients that unambiguously reveal the handedness of the screw axis. Detecting the OAM coefficients of the scattering amplitude thus offers the possibility to detect the handedness of crystals without the need for dynamical simulations, the thickness of the sample, nor the exact crystal structure. We propose an experimental setup to measure the OAM components where an image of the crystal is taken after inserting a spiral phase plate in the diffraction plane and perform multislice simulations on α quartz to demonstrate how the method indeed reveals the chirality. The experimental feasibility of the technique is discussed together with its main advantages with respect to chirality determination of screw axes. The method shows how the use of a spiral phase plate can be extended from a simple phase imaging technique to a tool to measure the local OAM decomposition of an electron wave, widening the field of interest well beyond chiral space group determination.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 3.836
Times cited: 16
DOI: 10.1103/PhysRevB.92.134108
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“Numerical modelling of gas discharge plasmas for various applications”. Bogaerts A, Gijbels R, Vacuum: surface engineering, surface instrumentation &, vacuum technology 69, 37 (2003). http://doi.org/10.1016/S0042-207X(02)00306-8
Abstract: Gas discharge plasmas are used for a wide range of applications. To improve our understanding about gas discharges, which is necessary to obtain good results in the various application fields, we perform numerical modelling of gas discharge plasmas. Various kinds of modelling approaches, for various types of gas discharges, are being used in our group. In this paper, some examples of this modelling work are outlined. (C) 2002 Elsevier Science Ltd. All rights reserved.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 1.53
Times cited: 16
DOI: 10.1016/S0042-207X(02)00306-8
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“Plasma-based liquefaction of methane: The road from hydrogen production to direct methane liquefaction”. Snoeckx R, Rabinovich A, Dobrynin D, Bogaerts A, Fridman A, Plasma processes and polymers 14, 1600115 (2017). http://doi.org/10.1002/ppap.201600115
Abstract: For the energy industry, a process that is able to transform methane—being the prime component of natural gas—efficiently into a liquid product would be equivalent to a goose with golden eggs. As such it is no surprise that research efforts in this field already date back to the nineteen hundreds. Plasma technology can be considered to be a novel player in this field, but nevertheless one with great potential. Over the past decades this technology has evolved from sole hydrogen production, over indirect methane liquefaction to eventually direct plasma-assisted methane liquefaction processes. An overview of this evolution and these processes is presented, from which it becomes clear that the near future probably lies with the direct two phase plasma-assisted methane liquefaction and the far future with the direct oxidative methane liquefaction.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 2.846
Times cited: 16
DOI: 10.1002/ppap.201600115
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“A model based reconstruction technique for depth sectioning with scanning transmission electron microscopy”. van den Broek W, Van Aert S, van Dyck D, Ultramicroscopy 110, 548 (2010). http://doi.org/10.1016/j.ultramic.2009.09.008
Abstract: Depth sectioning in high angular annular dark field scanning transmission electron microscopy is considered a candidate for three-dimensional characterization on the atomic scale. However at present the depth resolution is still far from the atomic level, due to strong limitations in the opening angle of the beam. In this paper we introduce a new, parameter based tomographic reconstruction algorithm that allows to make maximal use of the prior knowledge about the constituent atom types and the microscope settings, so as to retrieve the atomic positions and push the resolution to the atomic level in all three dimensions.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT); Vision lab
Impact Factor: 2.843
Times cited: 16
DOI: 10.1016/j.ultramic.2009.09.008
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“Model-based quantification of EELS spectra: treating the effect of correlated noise”. Verbeeck J, Bertoni G, Ultramicroscopy 108, 74 (2008). http://doi.org/10.1016/j.ultramic.2007.03.004
Abstract: Correlated noise is generally present in experimentally recorded electron energy loss spectra due to a non-ideal electron detector. In this contribution we describe a method to experimentally measure the noise properties of the detector as well as the consequences it has for model-based quantification using maximum likelihood. The effect of the correlated noise on the maximum likelihood fitting results can be shown to be negligible for the estimated (co)variance of the parameters while an experimentally obtained scaling factor is required to correct the likelihood ratio test for the reduction of noise power with frequency. Both effects are derived theoretically under a set of approximations and tested for a range of signal-to-noise values using numerical experiments. Finally, an experimental example shows that the correction for correlated noise is essential and should always be included in the fitting procedure. (c) 2007 Elsevier B.V. All rights reserved.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 2.843
Times cited: 16
DOI: 10.1016/j.ultramic.2007.03.004
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“Tuning electronic and magnetic properties of monolayer \alpha-RuCl3 by in-plane strain”. Iyikanat F, Yagmurcukardes M, Senger RT, Sahin H, Journal of materials chemistry C : materials for optical and electronic devices 6, 2019 (2018). http://doi.org/10.1039/C7TC05266A
Abstract: By employing density functional theory-based methods, the structural, vibrational, electronic, and magnetic properties of monolayer -RuCl3 were investigated. It was demonstrated that ferromagnetic (FM) and zigzag-antiferromagnetic (ZZ-AFM) spin orders in the material have very close total energies with the latter being the ground state. We found that each Ru atom possesses a magnetic moment of 0.9 (B) and the material exhibits strong magnetic anisotropy. While both phases exhibit indirect gaps, the FM phase is a magnetic semiconductor and the ZZ-AFM phase is a non-magnetic semiconductor. The structural stability of the material was confirmed by phonon calculations. Moreover, dynamical analysis revealed that the magnetic order in the material can be monitored via Raman measurements of the crystal structure. In addition, the magnetic ground state of the material changes from ZZ-AFM to FM upon certain applied strains. Valence and conduction band-edges of the material vary considerably under in-plane strains. Owing to the stable lattice structure and unique and controllable magnetic properties, monolayer -RuCl3 is a promising material in nanoscale device applications.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 5.256
Times cited: 16
DOI: 10.1039/C7TC05266A
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“3D interconnected hierarchically macro-mesoporous TiO2networks optimized by biomolecular self-assembly for high performance lithium ion batteries”. Ren X-N, Wu L, Jin J, Liu J, Hu Z-Y, Li Y, Hasan T, Yang X-Y, Van Tendeloo G, Su B-L, RSC advances 6, 26856 (2016). http://doi.org/10.1039/C6RA00332J
Abstract: Biomolecular self-assembly is an effective synthesis strategy for materials fabrication with unique structural complexity and properties. For the first time, we intergrate inner-particle mesoporosity in a three-dimensional (3D) interconnected macroporous TiO2 structure via the mediation of biomolecular self-assembly of the lipids and proteins from rape pollen coats and P123 to optimize the structure for high performance lithium storage. Benefitting from the hierarchically 3D interconnected macro-mesoporous structure with high surface area, small nanocrystallites and good electrolyte permeation, such unique porous structure demonstrates superior electrochemical performance, with high initial coulombic efficiency (94.4% at 1C) and a reversible discharge capacity of 161, 145, 127 and 97 mA h g-1 at 2, 5, 10 and 20C for 1000 cycles, with 79.3%, 89.9%, 90.1% and 87.4% capacity retention, respectively. Using SEM, TEM and HRTEM observations on the TiO2 materials before and after cycling, we verify that the inner-particle mesoporosity and the Li2Ti2O4 nanocrystallites formed during the cycling process in interconnected macroporous structure largely enhance the cycle life and rate performance. Our demonstration here offers opportunities towards developing and optimizing hierarchically porous structures for energy storage applications via biomolecular self-assembly.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 3.108
Times cited: 16
DOI: 10.1039/C6RA00332J
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“Near-unity electrochemical CO₂, to CO conversion over Sn-doped copper oxide nanoparticles”. Yang S, Liu Z, An H, Arnouts S, de Ruiter J, Rollier F, Bals S, Altantzis T, Figueiredo MC, Filot IAW, Hensen EJM, Weckhuysen BM, van der Stam W, ACS catalysis 12, 15146 (2022). http://doi.org/10.1021/ACSCATAL.2C04279
Abstract: Bimetallic electrocatalysts have emerged as a viable strategy to tune the electrocatalytic CO2 reduction reaction (eCO2RR) for the selective production of valuable base chemicals and fuels. However, obtaining high product selectivity and catalyst stability remain challenging, which hinders the practical application of eCO2RR. In this work, it was found that a small doping concentration of tin (Sn) in copper oxide (CuO) has profound influence on the catalytic performance, boosting the Faradaic efficiency (FE) up to 98% for carbon monoxide (CO) at -0.75 V versus RHE, with prolonged stable performance (FE > 90%) for up to 15 h. Through a combination of ex situ and in situ characterization techniques, the in situ activation and reaction mechanism of the electrocatalyst at work was elucidated. In situ Raman spectroscopy measurements revealed that the binding energy of the crucial adsorbed *CO intermediate was lowered through Sn doping, thereby favoring gaseous CO desorption. This observation was confirmed by density functional theory, which further indicated that hydrogen adsorption and subsequent hydrogen evolution were hampered on the Sn-doped electrocatalysts, resulting in boosted CO formation. It was found that the pristine electrocatalysts consisted of CuO nanoparticles decorated with SnO2 domains, as characterized by ex situ high-resolution scanning transmission electron microscopy and X-ray photoelectron spectroscopy measurements. These pristine nanoparticles were subsequently in situ converted into a catalytically active bimetallic Sn-doped Cu phase. Our work sheds light on the intimate relationship between the bimetallic structure and catalytic behavior, resulting in stable and selective oxide-derived Sn-doped Cu electrocatalysts.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT); Applied Electrochemistry & Catalysis (ELCAT)
Impact Factor: 12.9
Times cited: 16
DOI: 10.1021/ACSCATAL.2C04279
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“Study of the variability in upper and lower airway morphology in Sprague-Dawley rats using modern micro-CT scan-based segmentation techniques”. de Backer JW, Vos WG, Burnell P, Verhulst SL, Salmon P, de Clerck N, de Backer W, The anatomical record: advances in integrative anatomy and evolutionary biology 292, 720 (2009). http://doi.org/10.1002/ar.20877
Abstract: Animal models are being used extensively in pre-clinical and safety assessment studies to assess the effectiveness and safety of new chemical entities and delivery systems. Although never entirely replacing the need for animal testing, the use of computer simulations could eventually reduce the amount of animals needed for research purposes and refine the data acquired from the animal studies. Computational fluid dynamics is a powerful tool that makes it possible to simulate flow and particle behavior in animal or patient-specific respiratory models, for purposes of inhaled delivery. This tool requires an accurate representation of the respiratory system, respiration and dose delivery attributes. The aim of this study is to develop a representative airway model of the Sprague-Dawley rat using static and dynamic micro-CT scans. The entire respiratory tract was modeled, from the snout and nares down to the central airways at the point where no distinction could be made between intraluminal air and the surrounding tissue. For the selection of the representative model, variables such as upper airway movement, segmentation length, airway volume and size are taken into account. Dynamic scans of the nostril region were used to illustrate the characteristic morphology of this region in anaesthetized animals. It could be concluded from this study that it was possible to construct a highly detailed representative model of a Sprague-Dawley rat based on imaging modalities such as micro-CT scans
Keywords: A1 Journal article; Condensed Matter Theory (CMT); Laboratory Experimental Medicine and Pediatrics (LEMP)
Impact Factor: 1.431
Times cited: 16
DOI: 10.1002/ar.20877
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“Propagation of a plasma streamer in catalyst pores”. Zhang Q-Z, Bogaerts A, Plasma sources science and technology 27, 035009 (2018). http://doi.org/10.1088/1361-6595/aab47a
Abstract: Although plasma catalysis is gaining increasing interest for various environmental applications, the underlying mechanisms are still far from understood. For instance, it is not yet clear whether and how plasma streamers can propagate in catalyst pores, and what is the minimum pore size to make this happen. As this is crucial information to ensure good plasma-catalyst interaction, we study here the mechanism of plasma streamer propagation in a catalyst pore, by means of a twodimensional particle-in-cell/Monte Carlo collision model, for various pore diameters in the nm range to μm-range. The so-called Debye length is an important criterion for plasma penetration into catalyst pores, i.e. a plasma streamer can penetrate into pores when their diameter is larger than the Debye length. The Debye length is typically in the order of a few 100 nm up to 1 μm at the conditions under study, depending on electron density and temperature in the plasma streamer. For pores in the range of ∼50 nm, plasma can thus only penetrate to some extent and at
very short times, i.e. at the beginning of a micro-discharge, before the actual plasma streamer reaches the catalyst surface and a sheath is formed in front of the surface. We can make plasma streamers penetrate into smaller pores (down to ca. 500 nm at the conditions under study) by increasing the applied voltage, which yields a higher plasma density, and thus reduces the Debye length. Our simulations also reveal that the plasma streamers induce surface charging of the catalyst pore sidewalls, causing discharge enhancement inside the pore, depending on pore diameter and depth.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 3.302
Times cited: 16
DOI: 10.1088/1361-6595/aab47a
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“Ground state of excitons and charged excitons in a quantum well”. Riva C, Peeters FM, Varga K, Physica status solidi: A: applied research
T2 –, 6th International Conference on Optics of Excitons in Confined Systems, (OECS-6), AUG 30-SEP 02, 1999, ASCONA, SWITZERLAND 178, 513 (2000). http://doi.org/10.1002/1521-396X(200003)178:1<513::AID-PSSA513>3.0.CO;2-1
Abstract: A variational calculation of the ground state of a neutral exciton and of positively and negatively charged excitons (trions) in a single quantum well is presented. We study the dependence of the correlation energy and of the binding energy on the well width and on the hole mass. Our results are compared with previous theoretical results and with available experimental data.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Times cited: 16
DOI: 10.1002/1521-396X(200003)178:1<513::AID-PSSA513>3.0.CO;2-1
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“Unveiling the composition of sulphur sensitization specks by their interactions with TAI”. Charlier E, van Doorselaer M, Gijbels R, de Keyzer R, Geuens I, Journal Of Imaging Science And Technology 44, 235 (2000)
Abstract: A two-step process for the formation of sensitivity centers different from earlier described two-step processes was found for sulfur sensitized emulsions. After deposition of sulfur in the first step, it was found that the second step does not consist of rearrangement of sulfur over the surface, but of the supply of silver interstitial ions towards the deposited sulfur clusters. The two processes could be separated by adsorbing and desorbing TAI (4-hydroxy-1, 3,3a, 7-tetraazaindene) at/from the silver halide surface. When 1.5 mmol TAI/mol Ag is added before the sulfur reaction, the silver interstitials are immobilized but sulfur still can be deposited at the same level. By lowering the pH to 2.50 after this sulfur reaction, TAI is desorbed from the surface and the released interstitials then cause a restoration of the properties of a sulfur system without TAI. These effects could be demonstrated via diffuse reflectance spectroscopy (DRS), sensitometry and dielectric loss measurements. We could also confirm the isolation of silver sulfide clusters by TAI from other chemicals in the solution, by adsorption of TAI on the clusters.
Keywords: A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 0.348
Times cited: 16
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“Molecular dynamics simulation of oxide thin film growth: importance of the inter-atomic interaction potential”. Georgieva V, Todorov IT, Bogaerts A, Chemical physics letters 485, 315 (2010). http://doi.org/10.1016/j.cplett.2009.12.067
Abstract: A molecular dynamics (MD) study of MgxAlyOz thin films grown by magnetron sputtering is presented using an ionic model and comparing two potential sets with formal and partial charges. The applicability of the model and the reliability of the potential sets for the simulation of thin film growth are discussed. The formal charge potential set was found to reproduce the thin film structure in close agreement with the structure of the experimentally grown thin films. Graphical abstract A molecular dynamics study of growth of MgxAlyOz thin films is presented using an ionic model and comparing two potential sets with formal and partial charges. The simulation results with the formal charge potential set showed a transition in the film from a crystalline to an amorphous structure, when the Mg metal content decreases below 50% in very close agreement with the structure of the experimentally deposited films.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 1.815
Times cited: 16
DOI: 10.1016/j.cplett.2009.12.067
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“Ordering principles for tetrahedral chains in Ga- and Co-substituted YBCO intergrowths”. Milat O, Krekels T, Van Tendeloo G, Amelinckx S, Journal de physique: 1: physique générale, physique statistique, matière condensée, domaines interdisciplinaires 3, 1219 (1993)
Abstract: A model for superstructure ordering in the <<chain>> layers of Ga (Co) substituted YBCO intergrowths with general formula (REO2)NSr2MCu2O5 (M = Co, Ga; n = 1, 2, ...) is proposed. By Ga or Co substitution for Cu, the structure of the <<chain>> layer changes : instead of the CuO4 planar squares, the chains consist of MO4 tetrahedra (M = Ga, Co) running along the [110] perovskite direction. The existing model for the Ga substituted <<123>> implies that all the chains are the same. Our new model is based on the results of Electron diffraction and High-resolution electron microscopy investigations. The model reveals the occurrence of two types of chains as a consequence of <<opposite>> ordering between neighbouring tetrahedra. The comer linked tetrahedra in each chain appear as alternatingly rotated in opposite sense, and a chain itself, as being displaced with respect to the underlying structure in one of two senses ; either forth (right) or back (left) along the chain direction. The regular alternation of chains of opposite type doubles the periodicity within a layer and induces the possibility for intrinsic disorder in the chain layer stacking sequence. The planar superstructure and a staggered stacking of the tetrahedral chain layers is found irrespective of the rest of the intergrowth structure. Superstructure ordering in the case of Co substitution is more perfect than for the Ga substitution.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Times cited: 16
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“Retrieving the dielectric function of diamond from valence electron energy-loss spectroscopy”. Zhang L, Erni R, Verbeeck J, Van Tendeloo G, Physical review : B : condensed matter and materials physics 77, 195119 (2008). http://doi.org/10.1103/PhysRevB.77.195119
Abstract: A data-acquisition and data-processing method is proposed that aims at minimizing the effect of retardation on the Kramers-Kronig analysis of valence electron energy-loss spectra. This method is applied to diamond, which, due to its high dielectric constant, is a material that shows strong retardation effects and thus is a challenging material to be studied by valence electron energy-loss spectroscopy. The results obtained show a significant improvement but still show small discrepancies with respect to optical data, which are most likely due to the residual retardation contributions and the fact that nonzero momentum transfers are measured.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 3.836
Times cited: 16
DOI: 10.1103/PhysRevB.77.195119
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“Investigation of stacking disorder in Li2SnO3”. Tarakina NV, Denisova TA, Maksimova LG, Baklanova YV, Tyutyunnik AP, Berger IF, Zubkov VG, Van Tendeloo G, Zeitschrift für Kristallographie , 375 (2009). http://doi.org/10.1524/zksu.2009.0055
Abstract: A crystal structure investigation of the low temperature Li2SnO3 modification has been carried out. X-ray, neutron powder and electron diffraction data showed that this compound crystallizes in a monoclinic unit cell with parameters: a = 5.3033(2)Å, b = 9.1738(3)Å, c = 10.0195(2)Å, β ~ 100.042(2)º and has stacking disorder along the c-axis. Simulation of diffraction patterns with different stacking faults mainly reveal the presence of rotational stacking faults with a probability of about 40% .
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Times cited: 16
DOI: 10.1524/zksu.2009.0055
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