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“Gold nanoclusters with bright near-infrared photoluminescence”. Pramanik G, Humpolickova J, Valenta J, Kundu P, Bals S, Bour P, Dracinsky M, Cigler P, Nanoscale 10, 3792 (2018). http://doi.org/10.1039/C7NR06050E
Abstract: The increase in nonradiative pathways with decreasing emission energy reduces the luminescence quantum yield (QY) of near-infrared photoluminescent (NIR PL) metal nanoclusters. Efficient surface ligand chemistry can significantly improve the luminescence QY of NIR PL metal nanoclusters. In contrast to the widely reported but modestly effective thiolate ligand-to-metal core charge transfer, we show that metal-to-ligand charge transfer (MLCT) can be used to greatly enhance the luminescence QY of NIR PL gold nanoclusters (AuNCs). We synthesized water-soluble and colloidally stable NIR PL AuNCs with unprecedentedly high QY (similar to 25%) upon introduction of triphenylphosphonium moieties into the surface capping layer. By using a combination of spectroscopic and theoretical methods, we provide evidence for gold core-to-ligand charge transfer occurring in AuNCs. We envision that this work can stimulate the development of these unusually bright AuNCs for promising optoelectronic, bioimaging, and other applications.
Keywords: A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Impact Factor: 7.367
Times cited: 97
DOI: 10.1039/C7NR06050E
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“In situ tailoring of superconducting junctions via electro-annealing”. Lombardo J, Jelić, ŽL, Baumans XDA, Scheerder JE, Nacenta JP, Moshchalkov VV, Van de Vondel J, Kramer RBG, Milošević, MV, Silhanek AV, Nanoscale 10, 1987 (2018). http://doi.org/10.1039/C7NR08571K
Abstract: We demonstrate the in situ engineering of superconducting nanocircuitry by targeted modulation of material properties through high applied current densities. We show that the sequential repetition of such customized electro-annealing in a niobium (Nb) nanoconstriction can broadly tune the superconducting critical temperature T-c and the normal-state resistance R-n in the targeted area. Once a sizable R-n is reached, clear magneto-resistance oscillations are detected along with a Fraunhofer-like field dependence of the critical current, indicating the formation of a weak link but with further adjustable characteristics. Advanced Ginzburg-Landau simulations fully corroborate this picture, employing the detailed parametrization from the electrical characterization and high resolution electron microscope images of the region within the constriction where the material has undergone amorphization by electro-annealing.
Keywords: A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
Impact Factor: 7.367
Times cited: 23
DOI: 10.1039/C7NR08571K
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“MXenes/graphene heterostructures for Li battery applications : a first principles study”. Aierken Y, Sevik C, Gulseren O, Peeters FM, Çakir D, Journal of materials chemistry A : materials for energy and sustainability 6, 2337 (2018). http://doi.org/10.1039/C7TA09001C
Abstract: MXenes are the newest class of two-dimensional (2D) materials, and they offer great potential in a wide range of applications including electronic devices, sensors, and thermoelectric and energy storage materials. In this work, we combined the outstanding electrical conductivity, that is essential for battery applications, of graphene with MXene monolayers (M2CX2 where M = Sc, Ti, V and X = OH, O) to explore its potential in Li battery applications. Through first principles calculations, we determined the stable stacking configurations of M2CX2/graphene bilayer heterostructures and their Li atom intercalation by calculating the Li binding energy, diffusion barrier and voltage. We found that: (1) for the ground state stacking, the interlayer binding is strong, yet the interlayer friction is small; (2) Li binds more strongly to the O-terminated monolayer, bilayer and heterostructure MXene systems when compared with the OHterminated MXenes due to the H+ induced repulsion to the Li atoms. The binding energy of Li decreases as the Li concentration increases due to enhanced repulsive interaction between the positively charged Li ions; (3) Ti2CO2/graphene and V2CO2/graphene heterostructures exhibit large Li atom binding energies making them the most promising candidates for battery applications. When fully loaded with Li atoms, the binding energy is -1.43 eV per Li atom and -1.78 eV per Li atom for Ti2CO2/graphene and V2CO2/graphene, respectively. These two heterostructures exhibit a nice compromise between storage capacity and kinetics. For example, the diffusion barrier of Li in Ti2CO2/graphene is around 0.3 eV which is comparable to that of graphite. Additionally, the calculated average voltages are 1.49 V and 1.93 V for Ti2CO2/graphene and V2CO2/graphene structures, respectively; (4) a small change in the in-plane lattice parameters (<1%), interatomic bond lengths and interlayer distances (<0.5 angstrom) proves the stability of the heterostructures against Li intercalation, and the impending phase separation into constituent layers and capacity fading during charge-discharge cycles in real battery applications; (5) as compared to bare M2CX2 bilayers, M2CX2/graphene heterostructures have lower molecular mass, offering high storage capacity; (6) the presence of graphene ensures good electrical conductivity that is essential for battery applications. Given these advantages, Ti2CO2/graphene and V2CO2/graphene heterostructures are predicted to be promising for lithium-ion battery applications.
Keywords: A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
Impact Factor: 8.867
Times cited: 131
DOI: 10.1039/C7TA09001C
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“Pushing the limits of applicability of REBCO coated conductor films through fine chemical tuning and nanoengineering of inclusions”. Rizzo F, Augieri A, Kursumovic A, Bianchetti M, Opherden L, Sieger M, Huehne R, Haenisch J, Meledin A, Van Tendeloo G, MacManus-Driscoll JL, Celentano G, Nanoscale 10, 8187 (2018). http://doi.org/10.1039/C7NR09428K
Abstract: An outstanding current carrying performance (namely critical current density, J(c)) over a broad temperature range of 10-77 K for magnetic fields up to 12 T is reported for films of YBa2Cu3O7-x with Ba2Y(Nb,Ta)O-6 inclusion pinning centres (YBCO-BYNTO) and thicknesses in the range of 220-500 nm. J(c) values of 10 MA cm(-2) were measured at 30 K – 5 T and 10 K – 9 T with a corresponding maximum of the pinning force density at 10 K close to 1 TN m(-3). The system is very flexible regarding properties and microstructure tuning, and the growth window for achieving a particular microstructure is wide, which is very important for industrial processing. Hence, the dependence of J(c) on the magnetic field angle was readily controlled by fine tuning the pinning microstructure. Transmission electron microscopy (TEM) analysis highlighted that higher growth rates induce more splayed and denser BYNTO nanocolumns with a matching field as high as 5.2 T. Correspondingly, a strong peak at the B||c-axis is noticed when the density of vortices is lower than the nanocolumn density. YBCO-BYNTO is a very robust and reproducible composite system for high-current coated conductors over an extended range of magnetic fields and temperatures.
Keywords: A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Impact Factor: 7.367
Times cited: 9
DOI: 10.1039/C7NR09428K
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“Quantum anomalous Hall effect in a stable 1T-YN2 monolayer with a large nontrivial bandgap and a high Chern number”. Kong X, Li L, Leenaerts O, Wang W, Liu X-J, Peeters FM, Nanoscale 10, 8153 (2018). http://doi.org/10.1039/C8NR00571K
Abstract: The quantum anomalous Hall (QAH) effect is a topologically nontrivial phase, characterized by a non-zero Chern number defined in the bulk and chiral edge states in the boundary. Using first-principles calculations, we demonstrate the presence of the QAH effect in a 1T-YN2 monolayer, which was recently predicted to be a Dirac half metal without spin-orbit coupling (SOC). We show that the inclusion of SOC opens up a large nontrivial bandgap of nearly 0.1 eV in the electronic band structure. This results in the nontrivial bulk topology, which is confirmed by the calculation of Berry curvature, anomalous Hall conductance and the presence of chiral edge states. Remarkably, a QAH phase of high Chern number C = 3 is found, and there are three corresponding gapless chiral edge states emerging inside the bulk gap. Different substrates are also chosen to study the possible experimental realization of the 1T-YN2 monolayer, while retaining its nontrivial topological properties. Our results open a new avenue in searching for QAH insulators with high temperature and high Chern numbers, which can have nontrivial practical applications.
Keywords: A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
Impact Factor: 7.367
Times cited: 28
DOI: 10.1039/C8NR00571K
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“Gel-based morphological design of zirconium metal-organic frameworks”. Bueken B, Van Velthoven N, Willhammar T, Stassin T, Stassen I, Keen DA, Baron GV, Denayer JFM, Ameloot R, Bals S, De Vos D, Bennett TD, Chemical science 8, 3939 (2017). http://doi.org/10.1039/C6SC05602D
Abstract: The ability of metal-organic frameworks (MOFs) to gelate under specific synthetic conditions opens up new opportunities in the preparation and shaping of hierarchically porous MOF monoliths, which could be directly implemented for catalytic and adsorptive applications. In this work, we present the first examples of xero-or aerogel monoliths consisting solely of nanoparticles of several prototypical Zr4+-based MOFs: UiO-66-X (X – H, NH2, NO2, (OH)(2)), UiO-67, MOF-801, MOF-808 and NU-1000. High reactant and water concentrations during synthesis were observed to induce the formation of gels, which were converted to monolithic materials by drying in air or supercritical CO2. Electron microscopy, combined with N-2 physisorption experiments, was used to show that irregular nanoparticle packing leads to pure MOF monoliths with hierarchical pore systems, featuring both intraparticle micropores and interparticle mesopores. Finally, UiO-66 gels were shaped into monolithic spheres of 600 mm diameter using an oil-drop method, creating promising candidates for packed-bed catalytic or adsorptive applications, where hierarchical pore systems can greatly mitigate mass transfer limitations.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 8.668
Times cited: 168
DOI: 10.1039/C6SC05602D
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“Novel poly(butylene succinate) nanocomposites containing strontium hydroxyapatite nanorods with enhanced osteoconductivity for tissue engineering applications”. Nerantzaki M, Filippousi M, Van Tendeloo G, Terzopoulou Z, Bikiaris D, Goudouri OM, Detsch R, Grueenewald A, Boccaccini AR, Express polymer letters 9, 773 (2015). http://doi.org/10.3144/expresspolymlett.2015.73
Abstract: Three series of poly(butylene succinate) (PBSu) nanocomposites containing 0.5, 1 and 2.5 wt% strontium hydroxyapatite [Sr-5(PO4)(3)OH] nanorods (SrHAp nrds) were prepared by in situ polymerisation. The structural effects of Sr-5(PO4)(3)OH nanorods, for the different concentrations, inside the polymeric matrix (PBSu), were studied through high angle annular dark field scanning transmission electron microscopy (HAADF-STEM). HAADF-STEM measurements revealed that the SrHAp nanorods at low concentrations are dispersed inside the polymeric PBSu matrix while in 1 wt% some aggregates are formed. These aggregations affect the mechanical properties giving an enhancement for the concentration of 0.5 wt% SrHAp nrds in tensile strength, while a reduction is recorded for higher loadings of the nanofiller. Studies on enzymatic hydrolysis revealed that all nanocomposites present higher hydrolysis rates than neat PBSu, indicating that nanorods accelerate the hydrolysis degradation process. In vitro bioactivity tests prove that SrHAp nrds promote the formation of hydroxyapatite on the PBSu surface. All nanocomposites were tested also in relevant cell culture using osteoblast-like cells (MG-63) to demonstrate their biocompatibility showing SrHAp nanorods support cell attachment.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 2.983
Times cited: 21
DOI: 10.3144/expresspolymlett.2015.73
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“Electrochemical growth and characterization of nanostructured ZnO thin films”. Ghica C, Enculescu I, Nistor LC, Matei E, Van Tendeloo G, Journal of optoelectronics and advanced materials 10, 3237 (2008)
Abstract: ZnO is a wide band-gap (ca. 3.4 eV) semiconductor, piezoelectric, pyroelectric, biocompatible, transparent in the visible spectrum and UV light emitting material. The fabrication in 2001 of the first nanobelts of semiconductor oxide materials lead to a rapid expansion of researches concerning one dimensional nanostructures (nanotubes, nanowires, nanobelts), given their possible application in optics, optoelectronics, piezoelectricity, catalysis. Researches carried on up to date evidenced the possibility to obtain an extraordinary variety of ZnO nanostructures, in function of the experimental parameters and the used growth methods. In this work we present morphostructural results on nanostructured ZnO layers obtained by electrochemical deposition. The films have been grown on gold covered glass plates and Si wafers, in various experimental conditions such as: nature of the wetting agents, electrical polarization of the substrate (continuous, pulsed). The influence of the growth conditions on the crystalline structure and morphology of the films is revealed by scanning and transmission electron microscopy studies. The films show a variety of growth morphologies, from entangled-wires-like to honeycomb-like layers. These large-specific-surface layers will be tested as nanostructured substrates for photovoltaic cells with improved efficiency.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 0.449
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“Revealing nanoscale structural TEM/HRTEM: application on ferroelectric ordering by PMN-PT relaxor ferroelectric”. Ghica C, Nistor L, Van Tendeloo G, Journal of optoelectronics and advanced materials 10, 2328 (2008)
Abstract: Nano-scale ordering may be revealed in transmission electron microscopy (TEM) by at least three techniques that will be presented in this work: selected area electron diffraction, conventional TEM and high-resolution TEM. Digital image processing is used to extract additional information from the high-resolution micrographs. The described methods are illustrated in a microstructural and compositional study of a 90%Pb(Mg1/3Nb2/3)O-3-10%PbTiO2 ceramic sample. High-resolution images reveal the presence of ordered compositional nano-domains, observable in two specific crystallographic orientations. Antiphase boundaries lying in the (111) planes separate them, while (100) and (111) facets separate the ordered domains from the disordered matrix.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 0.449
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“A versatile plasma tool for the synthesis of carbon nanotubes and few-layer graphene sheets”. Malesevic A, Kemps R, Zhang L, Erni R, Van Tendeloo G, Vanhulsel A, van Haesendonck C, Journal of optoelectronics and advanced materials 10, 2052 (2008)
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 0.449
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“Trace element and micro-mineral composition of some selected anhydrite samples from the Saint Ghislain drill hole (Hainaut, Belgium)”. Vandelannoote R, Van 't dack L, Gijbels R, Bulletin van de Belgische Vereniging voor Geologie 95, 101 (1986)
Keywords: A3 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
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“Application of trace element analysis to geothermal waters”. Gijbels R, van Grieken R, Blommaert W, Vandelannoote R, Van 't dack L, , 429 (1977)
Keywords: P3 Proceeding; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT); AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
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“Chemical analysis in metal processing: overview and future needs in refined and ultrapure metals”. Gijbels R, Acta technica Belgica: metallurgie 30, 91 (1991)
Keywords: A3 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
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“Analysis and comparison of the co2 and co dielectric barrier discharge solid products”. Belov I, Paulussen S, Bogaerts A, Hakone Xv: International Symposium On High Pressure Low Temperature Plasma Chemistry: With Joint Cost Td1208 Workshop: Non-equilibrium Plasmas With Liquids For Water And Surface Treatment (2016)
Abstract: The CO and CO2 Dielectric Barrier Discharges (DBD) and their solid products were analyzed keeping similar energy input regimes. Gas chromatography analysis revealed the presence of CO2, CO and O-2 mixture in the exhaust of the CO2 DBD, while no O-2 was found when CO was used as a feed gas. It was shown that the C-2 Swan lines observed with optical emission spectroscopy were distinct in the CO plasma while they were not observed in the CO2 emission spectrum. Also the solid products of the plasmas exhibited remarkable differences. Nanoparticles with a diameter between10 and 300 nm, composed of Fe, O and C (Fe: O: C similar to 13: 50: 30) were produced by the CO2 DBD, while microscopic dendrite-like carbon structure (C: O similar to 73: 27) were formed in the CO plasma. The growth rate in the CO2 and CO DBDs was evaluated to be on the level of 0.15 mg/min and 15 mg/min, respectively. The difference of the CO and CO2 discharges and their products might be attributed to the oxygen content in the latter (6.4 mol.% O-2 in the exhaust) and subsequent etching of the carbonaceous film.
Keywords: P1 Proceeding; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
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“Plasma based co2 conversion: a combined modeling and experimental study”. Bogaerts A, Snoeckx R, Berthelot A, Heijkers S, Wang W, Sun S, Van Laer K, Ramakers M, Michielsen I, Uytdenhouwen Y, Meynen V, Cool P, Hakone Xv: International Symposium On High Pressure Low Temperature Plasma Chemistry: With Joint Cost Td1208 Workshop: Non-equilibrium Plasmas With Liquids For Water And Surface Treatment (2016)
Abstract: In recent years there is increased interest in plasma-based CO2 conversion. Several plasma setups are being investigated for this purpose, but the most commonly used ones are a dielectric barrier discharge (DBD), a microwave (MW) plasma and a gliding arc (GA) reactor. In this proceedings paper, we will show results from our experiments in a (packed bed) DBD reactor and in a vortex-flow GA reactor, as well as from our model calculations for the detailed plasma chemistry in a DBD, MW and GA, for pure CO2 as well as mixtures of CO2 with N-2, CH4 and H2O.
Keywords: P1 Proceeding; Laboratory of adsorption and catalysis (LADCA); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
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“A 2D model for a gliding arc discharge”. Kolev S, Bogaerts A, Plasma sources science and technology 24, 015025 (2015). http://doi.org/10.1088/0963-0252/24/1/015025
Abstract: In this study we report on a 2D fluid model of a gliding arc discharge in argon. Despite the 3D nature of the discharge, 2D models are found to be capable of providing very useful information about the operation of the discharge. We employ two modelsan axisymmetric and a Cartesian one. We show that for the considered experiment and the conditions of a low current arc (around 30 mA) in argon, there is no significant heating of the cathode surface and the discharge is sustained by field electron emission from the cathode accompanied by the formation of a cathode spot. The obtained discharge power and voltage are relatively sensitive to the surface properties and particularly to the surface roughness, causing effectively an amplification of the normal electric field. The arc body and anode region are not influenced by this and depend mainly on the current value. The gliding of the arc is modelled by means of a 2D Cartesian model. The arcelectrode contact points are analysed and the gliding mechanism along the electrode surface is discussed. Following experimental observations, the cathode spot is simulated as jumping from one point to another. A complete arc cycle is modelled from initial ignition to arc decay. The results show that there is no interaction between the successive gliding arcs.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 3.302
Times cited: 34
DOI: 10.1088/0963-0252/24/1/015025
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“Ab initio based atomic scattering amplitudes and {002} electron structure factors of InxGa1-xAs/GaAs quantum wells”. Titantah JT, Lamoen D, Schowalter M, Rosenauer A, Journal of physics : conference series 209, 012040 (2010). http://doi.org/10.1088/1742-6596/209/1/012040
Abstract: The atomic scattering amplitudes of the various atoms of the systems Ga1−xInxAs, GaAs1−xNx and InAs1−xNx are calculated using the density functional theory (DFT) approach. The scattering amplitudes of N, Ga, As and In in the model systems are compared with the frequently used Doyle and Turner values. Deviation from the latter values is found for small scattering vectors (s<0.3Å−1) and for these scattering vectors dependence on the orientation of the scattering vector and the chemical environment is reported. We suggest a parametrization of these modified scattering amplitudes (MASAs) for small scattering vectors (s<1.0Å−1). The MASAs are exploited within zero pressure classical Metropolis Monte Carlo (MC), finite temperature calculations to investigate the effect of quantum well size on the electron {002} structure factor (SF) of Ga1−xInxAs quantum wells.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
DOI: 10.1088/1742-6596/209/1/012040
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“Accurate description of the van der Waals interaction of an electron-positron pair with the surface of a topological insulator”. Saniz R, Vercauteren S, Lamoen D, Partoens B, Barbiellini B, Journal of physics : conference series 505, 012002 (2014). http://doi.org/10.1088/1742-6596/505/1/012002
Abstract: Positrons can be trapped in localized states at the surface of a material, and thus quite selectively interact with core or valence surface electrons. Hence, advanced surface positron spectroscopy techniques can present the ideal tools to study a topological insulator, where surface states play a fundamental role. We analyze the problem of a positron at a TI surface, assuming that it is a weakly physisorbed positronium (Ps) atom. To determine if the surface of interest in a material can sustain such a physisorption, an accurate description of the underlying van der Waals (vdW) interaction is essential. We have developed a first-principles parameterfree method, based on the density functional theory, to extract key parameters determining the vdW interaction potential between a Ps atom and the surface of a given material. The method has been successfully applied to quartz and preliminary results on Bi2Te2Se indicate the existence of a positron surface state. We discuss the robustness of our predictions versus the most relevant approximations involved in our approach.
Keywords: P1 Proceeding; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)
Times cited: 2
DOI: 10.1088/1742-6596/505/1/012002
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“The ageing effect in topological insulators : evolution of the surface electronic structure of Bi2Se3 upon K adsorption”. Park K, De Beule C, Partoens B, New journal of physics 15, 113031 (2013). http://doi.org/10.1088/1367-2630/15/11/113031
Abstract: Topological insulators (TIs) have attracted a lot of interest in recent years due to their topologically protected surface states, as well as exotic proximity-induced phenomena and device applications for TI heterostructures. Since the first experimental studies of TIs, angle-resolved photoemission spectra (ARPES) showed that the electronic structure of the topological surface states significantly changes as a function of time after cleavage. The origin and underlying mechanism of this ageing effect are still under debate, despite its importance. Here we investigate the evolution of the surface Dirac cone for Bi2Se3 films upon asymmetric potassium (K) adsorption, using density-functional theory and a tight-binding model. We find that the K adatoms induce short-ranged downward band bending within 2-3 nm from the surface, due to charge transfer from the adatoms to the TI. These findings are in contrast to earlier proposals in the literature, that propose a long-ranged downward band bending up to 15 nm from the surface. Furthermore, as the charge transfer increases, we find that a new Dirac cone, localized slightly deeper into the TI than the original one, appears at the K-adsorbed surface, originating from strong Rashba-split conduction-band states. Our results suggest possible reinterpretations of experiments because the new Dirac cone might have been observed in ARPES measurements instead of the original one that appears immediately after cleavage. Our findings are consistent with ARPES data and provide insight into building TI-heterostructure devices by varying the band-bending potential or film thickness.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.786
Times cited: 45
DOI: 10.1088/1367-2630/15/11/113031
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“Analysis of pattern formation in systems with competing range interactions”. Zhao HJ, Misko VR, Peeters FM, New journal of physics 14, 063032 (2012). http://doi.org/10.1088/1367-2630/14/6/063032
Abstract: We analyzed pattern formation and identified various morphologies in a system of particles interacting through a non-monotonic potential with a competing range interaction characterized by a repulsive core (r < r(c)) and an attractive tail (r > r(c)), using molecular-dynamics simulations. Depending on parameters, the interaction potential models the inter-particle interaction in various physical systems ranging from atoms, molecules and colloids to vortices in low kappa type-II superconductors and in recently discovered 'type-1.5' superconductors. We constructed a 'morphology diagram' in the plane 'critical radius r(c)-density n' and proposed a new approach to characterizing the different types of patterns. Namely, we elaborated a set of quantitative criteria in order to identify the different pattern types, using the radial distribution function (RDF), the local density function and the occupation factor.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.786
Times cited: 45
DOI: 10.1088/1367-2630/14/6/063032
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“Atomic-scale simulations of reactive oxygen plasma species interacting with bacterial cell walls”. Yusupov M, Neyts EC, Khalilov U, Snoeckx R, van Duin ACT, Bogaerts A, New journal of physics 14, 093043 (2012). http://doi.org/10.1088/1367-2630/14/9/093043
Abstract: In recent years there has been growing interest in the use of low-temperature atmospheric pressure plasmas for biomedical applications. Currently, however, there is very little fundamental knowledge regarding the relevant interaction mechanisms of plasma species with living cells. In this paper, we investigate the interaction of important plasma species, such as O3, O2 and O atoms, with bacterial peptidoglycan (or murein) by means of reactive molecular dynamics simulations. Specifically, we use the peptidoglycan structure to model the gram-positive bacterium Staphylococcus aureus murein. Peptidoglycan is the outer protective barrier in bacteria and can therefore interact directly with plasma species. Our results demonstrate that among the species mentioned above, O3 molecules and especially O atoms can break important bonds of the peptidoglycan structure (i.e. CO, CN and CC bonds), which subsequently leads to the destruction of the bacterial cell wall. This study is important for gaining a fundamental insight into the chemical damaging mechanisms of the bacterial peptidoglycan structure on the atomic scale.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 3.786
Times cited: 47
DOI: 10.1088/1367-2630/14/9/093043
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“Barrier efficiency of sponge-like La2Zr2O7 buffer layers for YBCO-coated conductors”. Molina L, Tan H, Biermans E, Batenburg KJ, Verbeeck J, Bals S, Van Tendeloo G, Superconductor science and technology 24, 065019 (2011). http://doi.org/10.1088/0953-2048/24/6/065019
Abstract: Solution derived La2Zr2O7 films have drawn much attention for potential applications as thermal barriers or low-cost buffer layers for coated conductor technology. Annealing and coating parameters strongly affect the microstructure of La2Zr2O7, but different film processing methods can yield similar microstructural features such as nanovoids and nanometer-sized La2Zr2O7 grains. Nanoporosity is a typical feature found in such films and the implications for the functionality of the films are investigated by a combination of scanning transmission electron microscopy (STEM), electron energy-loss spectroscopy (EELS) and quantitative electron tomography. Chemical solution based La2Zr2O7 films deposited on flexible Ni5 at.%W substrates with a {100}lang001rang biaxial texture were prepared for an in-depth characterization. A sponge-like structure composed of nanometer-sized voids is revealed by high-angle annular dark-field scanning transmission electron microscopy in combination with electron tomography. A three-dimensional quantification of nanovoids in the La2Zr2O7 film is obtained on a local scale. Mostly non-interconnected highly faceted nanovoids compromise more than one-fifth of the investigated sample volume. The diffusion barrier efficiency of a 170 nm thick La2Zr2O7 film is investigated by STEM-EELS, yielding a 1.8 ± 0.2 nm oxide layer beyond which no significant nickel diffusion can be detected and intermixing is observed. This is of particular significance for the functionality of YBa2Cu3O7 − δ coated conductor architectures based on solution derived La2Zr2O7 films as diffusion barriers.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT); Vision lab
Impact Factor: 2.878
Times cited: 31
DOI: 10.1088/0953-2048/24/6/065019
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“Behavior of electrons in a dual-magnetron sputter deposition system : a Monte Carlo model”. Yusupov M, Bultinck E, Depla D, Bogaerts A, New journal of physics 13, 033018 (2011). http://doi.org/10.1088/1367-2630/13/3/033018
Abstract: A Monte Carlo model has been developed for investigating the electron behavior in a dual-magnetron sputter deposition system. To describe the three-dimensional (3D) geometry, different reference frames, i.e. a local and a global coordinate system, were used. In this study, the influence of both closed and mirror magnetic field configurations on the plasma properties is investigated. In the case of a closed magnetic field configuration, the calculated electron trajectories show that if an electron is emitted in (or near) the center of the cathode, where the influence of the magnetic field is low, it is able to travel from one magnetron to the other. On the other hand, when an electron is created at the race track area, it is more or less trapped in the strong magnetic field and cannot easily escape to the second magnetron region. In the case of a mirror magnetic field configuration, irrespective of where the electron is emitted from the cathode, it cannot travel from one magnetron to the other because the magnetic field lines guide the electron to the substrate. Moreover, the electron density and electron impact ionization rate have been calculated and studied in detail for both configurations.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 3.786
Times cited: 12
DOI: 10.1088/1367-2630/13/3/033018
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“Carbon nanotube TiO2 hybrid films for detecting traces of O2”. Llobet E, Espinosa EH, Sotter E, Ionescu R, Vilanova X, Torres J, Felten A, Pireaux JJ, Ke X, Van Tendeloo G, Renaux F, Paint Y, Hecq M, Bittencourt C;, Nanotechnology 19, 375501 (2008). http://doi.org/10.1088/0957-4484/19/37/375501
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.
Keywords: A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Impact Factor: 3.44
Times cited: 48
DOI: 10.1088/0957-4484/19/37/375501
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“CdSe quantum dot formation: alternative paths to relaxation of a strained CdSe layer and influence of the capping conditions”. Robin I-C, Aichele T, Bougerol C, André, R, Tatarenko S, Bellet-Amalric E, van Daele B, Van Tendeloo G, Nanotechnology 18, 265701 (2007). http://doi.org/10.1088/0957-4484/18/26/265701
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 3.44
Times cited: 8
DOI: 10.1088/0957-4484/18/26/265701
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“Characterization of an Ar/O2 magnetron plasma by a multi-species Monte Carlo model”. Bultinck E, Bogaerts A, Plasma sources science and technology 20, 045013 (2011). http://doi.org/10.1088/0963-0252/20/4/045013
Abstract: A combined Monte Carlo (MC)/analytical surface model is developed to study the plasma processes occurring during the reactive sputter deposition of TiOx thin films. This model describes the important plasma species with a MC approach (i.e. electrons, Ar+ ions, {\rm O}_2
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 3.302
Times cited: 7
DOI: 10.1088/0963-0252/20/4/045013
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“Chemical solution deposition: a path towards low cost coated conductors”. Obradors X, Puig T, Pomar A, Sandiumenge F, Piñol S, Mestres N, Castaño O, Coll M, Cavallaro A, Palau A, Gázquez J, González JC, Gutiérrez J, Romá, N, Ricart S, Moretó, JM, Rossell MD, Van Tendeloo G, Superconductor science and technology 17, 1055 (2004). http://doi.org/10.1088/0953-2048/17/8/020
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 2.878
Times cited: 107
DOI: 10.1088/0953-2048/17/8/020
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“Comment on 'Integral cross sections for electron impact excitation of electronic states of N2'”. Cenian A, Chernukho A, Bogaerts A, Gijbels R, Journal of physics: B : atomic and molecular physics 35, 5163 (2002). http://doi.org/10.1088/0953-4075/35/24/401
Abstract: Based on the existing experimental data and their statistical errors, it is not possible to make a sound recommendation of the cross-section set of Campbell et al (J. Phys. B: At. Mol. Opt. Phys. 34 (2001) 1185). We comment on this paper.
Keywords: Editorial; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 1.792
Times cited: 2
DOI: 10.1088/0953-4075/35/24/401
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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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“Comprehensive modelling network for dc glow discharges in argon”. Bogaerts A, Plasma sources science and technology 8, 210 (1999). http://doi.org/10.1088/0963-0252/8/2/003
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 3.302
Times cited: 27
DOI: 10.1088/0963-0252/8/2/003
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