“Space charge limited electron emission from a Cu surface under ultrashort pulsed laser irradiation”. Wendelen W, Autrique D, Bogaerts A, Applied physics letters 96, 1 (2010). http://doi.org/10.1063/1.3292581
Abstract: In this theoretical study, the electron emission from a copper surface under ultrashort pulsed laser irradiation is investigated using a one-dimensional particle in cell model. Thermionic emission as well as multiphoton photoelectron emission were taken into account. The emitted electrons create a negative space charge above the target; consequently the generated electric field reduces the electron emission by several orders of magnitude. The simulations indicate that the space charge effect should be considered when investigating electron emission related phenomena in materials under ultrashort pulsed laser irradiation of metals.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 3.411
Times cited: 22
DOI: 10.1063/1.3292581
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“Spastin gene mutations in Bulgarian patients with hereditary spastic paraplegia”. Ivanova N, Löfgren A, Tournev I, Rousev R, Andreeva A, Jordanova A, Georgieva V, Deconinck T, Timmerman V, Kremensky I, De Jonghe P, Mitev V, Clinical genetics 70, 490 (2006). http://doi.org/10.1111/j.1399-0004.2006.00705.x
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT); Neurogenetics Group; Peripheral Neuropathies Group
Impact Factor: 3.326
Times cited: 6
DOI: 10.1111/j.1399-0004.2006.00705.x
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“Spatial behavior of energy relaxation of electrons in capacitively coupled discharges: comparison between Ar and SiH4”. Yan M, Bogaerts A, Gijbels R, Goedheer WJ, Journal of applied physics 87, 3628 (2000). http://doi.org/10.1063/1.372392
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 2.068
Times cited: 14
DOI: 10.1063/1.372392
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“Spatial variation behaviors of argon inductively coupled plasma during discharge mode transition”. Fei G, Xue-Chun L, Zhao S-X, You-Nian W, Chinese physics B 21, 075203 (2012). http://doi.org/10.1088/1674-1056/21/7/075203
Abstract: A Langmuir probe and an ICCD are employed to study the discharge mode transition in Ar inductively coupled plasma. Electron density and plasma emission intensity are measured during the E (capacitive discharge) to H (inductive discharge) mode transitions at different pressures. It is found that plasma exists with a low electron density and a weak emission intensity in the E mode, while it has a high electron density and a strong emission intensity in the H mode. Meanwhile, the plasma emission intensity spatial (2D image) profile is symmetrical in the H mode, but the 2D image is an asymmetric profile in the E mode. Moreover, the electron density and emission intensity jump up discontinuously at high pressure, but increase almost continuously at the E to H mode transition under low pressure.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 1.223
Times cited: 11
DOI: 10.1088/1674-1056/21/7/075203
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“Spatially resolved ozone densities and gas temperatures in a time modulated RF driven atmospheric pressure plasma jet : an analysis of the production and destruction mechanisms”. Zhang S, Van Gaens W, van Gessel B, Hofmann S, van Veldhuizen E, Bogaerts A, Bruggeman P, Journal of physics: D: applied physics 46, 205202 (2013). http://doi.org/10.1088/0022-3727/46/20/205202
Abstract: In this work, a time modulated RF driven DBD-like atmospheric pressure plasma jet in Ar + 2%O2, operating at a time averaged power of 6.5 W is investigated. Spatially resolved ozone densities and gas temperatures are obtained by UV absorption and Rayleigh scattering, respectively. Significant gas heating in the core of the plasma up to 700 K is found and at the position of this increased gas temperature a depletion of the ozone density is found. The production and destruction reactions of O3 in the jet effluent as a function of the distance from the nozzle are obtained from a zero-dimensional chemical kinetics model in plug flow mode which considers relevant air chemistry due to air entrainment in the jet fluent. A comparison of the measurements and the models show that the depletion of O3 in the core of the plasma is mainly caused by an enhanced destruction of O3 due to a large atomic oxygen density.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 2.588
Times cited: 74
DOI: 10.1088/0022-3727/46/20/205202
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“Atomic-scale insight into the interactions between hydroxyl radicals and DNA in solution using the ReaxFF reactive force field”. Verlackt CCW, Neyts EC, Jacob T, Fantauzzi D, Golkaram M, Shin Y-K, van Duin ACT, Bogaerts A, New journal of physics 17, 103005 (2015). http://doi.org/10.1088/1367-2630/17/10/103005
Abstract: Cold atmospheric pressure plasmas have proven to provide an alternative treatment of cancer by targeting tumorous cells while leaving their healthy counterparts unharmed. However, the underlying mechanisms of the plasma–cell interactions are not yet fully understood. Reactive oxygen species, and in particular hydroxyl radicals (OH), are known to play a crucial role in plasma driven apoptosis of
malignant cells. In this paper we investigate the interaction of OH radicals, as well as H2O2 molecules and HO2 radicals, with DNA by means of reactive molecular dynamics simulations using the ReaxFF force field. Our results provide atomic-scale insight into the dynamics of oxidative stress on DNA caused by the OH radicals, while H2O2 molecules appear not reactive within the considered timescale. Among the observed processes are the formation of 8-OH-adduct radicals, forming the first stages towards the formation of 8-oxoGua and 8-oxoAde, H-abstraction reactions of the amines, and the partial opening of loose DNA ends in aqueous solution.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 3.786
Times cited: 18
DOI: 10.1088/1367-2630/17/10/103005
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“Splitting of CO2 by vibrational excitation in non-equilibrium plasmas : a reaction kinetics model”. Kozák T, Bogaerts A, Plasma sources science and technology 23, 045004 (2014). http://doi.org/10.1088/0963-0252/23/4/045004
Abstract: We present a zero-dimensional kinetic model of CO2 splitting in non-equilibrium plasmas. The model includes a description of the CO2 vibrational kinetics (25 vibrational levels up to the dissociation limit of the molecule), taking into account state-specific VT and VV relaxation reactions and the effect of vibrational excitation on other chemical reactions. The model is applied to study the reaction kinetics of CO2 splitting in an atmospheric-pressure dielectric barrier discharge (DBD) and in a moderate-pressure microwave discharge. The model results are in qualitative agreement with published experimental works. We show that the CO2 conversion and its energy efficiency are very different in these two types of discharges, which reflects the important dissociation mechanisms involved. In the microwave discharge, excitation of the vibrational levels promotes efficient dissociation when the specific energy input is higher than a critical value (2.0 eV/molecule under the conditions examined). The calculated energy efficiency of the process has a maximum of 23%. In the DBD, vibrationally excited levels do not contribute significantly to the dissociation of CO2 and the calculated energy efficiency of the process is much lower (5%).
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 3.302
Times cited: 170
DOI: 10.1088/0963-0252/23/4/045004
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“Sputter-deposited Mg-Al-O thin films: linking molecular dynamics simulations to experiments”. Georgieva V, Saraiva M, Jehanathan N, Lebelev OI, Depla D, Bogaerts A, Journal of physics: D: applied physics 42, 065107 (2009). http://doi.org/10.1088/0022-3727/42/6/065107
Abstract: Using a molecular dynamics model the crystallinity of MgxAlyOz thin films with a variation in the stoichiometry of the thin film is studied at operating conditions similar to the experimental operating conditions of a dual magnetron sputter deposition system. The films are deposited on a crystalline or amorphous substrate. The Mg metal content in the film ranged from 100% (i.e. MgO film) to 0% (i.e. Al2O3 film). The radial distribution function and density of the films are calculated. The results are compared with x-ray diffraction and transmission electron microscopy analyses of experimentally deposited thin films by the dual magnetron reactive sputtering process. Both simulation and experimental results show that the structure of the MgAlO film varies from crystalline to amorphous when the Mg concentration decreases. It seems that the crystalline MgAlO films have a MgO structure with Al atoms in between.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 2.588
Times cited: 37
DOI: 10.1088/0022-3727/42/6/065107
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“Sputter deposition of MgxAlyOz thin films in a dual-magnetron device : a multi-species Monte Carlo model”. Yusupov M, Saraiva M, Depla D, Bogaerts A, New journal of physics 14, 073043 (2012). http://doi.org/10.1088/1367-2630/14/7/073043
Abstract: A multi-species Monte Carlo (MC) model, combined with an analytical surface model, has been developed in order to investigate the general plasma processes occurring during the sputter deposition of complex oxide films in a dual-magnetron sputter deposition system. The important plasma species, such as electrons, Ar+ ions, fast Ar atoms and sputtered metal atoms (i.e. Mg and Al atoms) are described with the so-called multi-species MC model, whereas the deposition of MgxAlyOz films is treated by an analytical surface model. Targetsubstrate distances for both magnetrons in the dual-magnetron setup are varied for the purpose of growing stoichiometric complex oxide thin films. The metal atoms are sputtered from pure metallic targets, whereas the oxygen flux is only directed toward the substrate and is high enough to obtain fully oxidized thin films but low enough to avoid target poisoning. The calculations correspond to typical experimental conditions applied to grow these complex oxide films. In this paper, some calculation results are shown, such as the densities of various plasma species, their fluxes toward the targets and substrate, the deposition rates, as well as the film stoichiometry. Moreover, some results of the combined model are compared with experimental observations. Note that this is the first complete model, which can be applied for large and complicated magnetron reactor geometries, such as dual-magnetron configurations. With this model, we are able to describe all important plasma species as well as the deposition process. It can also be used to predict film stoichiometries of complex oxide films on the substrate.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 3.786
Times cited: 2
DOI: 10.1088/1367-2630/14/7/073043
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“Stability of Si epoxide defects in Si nanowires : a mixed reactive force field/DFT study”. Schoeters B, Neyts EC, Khalilov U, Pourtois G, Partoens B, Physical chemistry, chemical physics 15, 15091 (2013). http://doi.org/10.1039/c3cp51621k
Abstract: Modeling the oxidation process of silicon nanowires through reactive force field based molecular dynamics simulations suggests that the formation of Si epoxide defects occurs both at the Si/SiOx interface and at the nanowire surface, whereas for flat surfaces, this defect is experimentally observed to occur only at the interface as a result of stress. In this paper, we argue that the increasing curvature stabilizes the defect at the nanowire surface, as suggested by our density functional theory calculations. The latter can have important consequences for the opto-electronic properties of thin silicon nanowires, since the epoxide induces an electronic state within the band gap. Removing the epoxide defect by hydrogenation is expected to be possible but becomes increasingly difficult with a reduction of the diameter of the nanowires.
Keywords: A1 Journal article; Condensed Matter Theory (CMT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 4.123
Times cited: 3
DOI: 10.1039/c3cp51621k
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“Static secondary ion mass spectrometry (S-SIMS): part 1: methodology and structural interpretation”. van Vaeck L, Adriaens A, Gijbels R, Mass spectrometry reviews 18, 1 (1999)
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 9.373
Times cited: 112
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“Strain-induced semiconductor to metal transition in the two-dimensional honeycomb structure of MoS2”. Scalise E, Houssa M, Pourtois G, Afanas'ev V, Stesmans A, Nano Research 5, 43 (2012). http://doi.org/10.1007/s12274-011-0183-0
Abstract: The electronic properties of two-dimensional honeycomb structures of molybdenum disulfide (MoS(2)) subjected to biaxial strain have been investigated using first-principles calculations based on density functional theory. On applying compressive or tensile bi-axial strain on bi-layer and mono-layer MoS(2), the electronic properties are predicted to change from semiconducting to metallic. These changes present very interesting possibilities for engineering the electronic properties of two-dimensional structures of MoS(2).
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 7.354
Times cited: 407
DOI: 10.1007/s12274-011-0183-0
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“Structural and analytical characterization of Ag(Br,I) nanocrystals by cryo-AEM techniques”. Oleshko VP, van Daele A, Gijbels RH, Jacob WA, Journal of nanostructured materials 10, 1225 (1998). http://doi.org/10.1016/S0965-9773(99)00003-3
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Times cited: 5
DOI: 10.1016/S0965-9773(99)00003-3
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“Structural and vibrational properties of amorphous GeO2 from first-principles”. Scalise E, Houssa M, Pourtois G, Afanas'ev VV, Stesmans A, Applied physics letters 98, 202110 (2011). http://doi.org/10.1063/1.3593036
Abstract: The structural and vibrational properties of amorphous germanium oxide (a-GeO<sub>2</sub>) are investigated using first-principles calculations based on density functional theory. We first generate an a-GeO<sub>2</sub> structure by first-principles molecular dynamics and analyze its structural properties. The vibrational spectra is then calculated within a density-functional approach. Both static and dynamic properties are in good agreement with experimental data. We next generate defects in our structure (oxygen vacancies with several density and charge states) and consider the most stable atomic configurations, focusing on the vibrational features of threefold coordinated O and divalent Ge centers.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 3.411
Times cited: 226
DOI: 10.1063/1.3593036
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“Structural modification of the skin barrier by OH radicals : a reactive molecular dynamics study for plasma medicine”. Van der Paal J, Verlackt CC, Yusupov M, Neyts EC, Bogaerts A, Journal of physics: D: applied physics 48, 155202 (2015). http://doi.org/10.1088/0022-3727/48/15/155202
Abstract: While plasma treatment of skin diseases and wound healing has been proven highly effective, the underlying mechanisms, and more generally the effect of plasma radicals on skin tissue, are not yet completely understood. In this paper, we perform ReaxFF-based reactive molecular dynamics simulations to investigate the interaction of plasma generated OH radicals with a model system composed of free fatty acids, ceramides, and cholesterol molecules. This model system is an approximation of the upper layer of the skin (stratum corneum). All interaction mechanisms observed in our simulations are initiated by H-abstraction from one of the ceramides. This reaction, in turn, often starts a cascade of other reactions, which eventually lead to the formation of aldehydes, the dissociation of ceramides or the elimination of formaldehyde, and thus eventually to the degradation of the skin barrier function.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 2.588
Times cited: 20
DOI: 10.1088/0022-3727/48/15/155202
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“The structure and energetics of B3N2, B2N3, and BN4: symmetry breaking effects in B3N2”. Martin JML, El-Yazal J, François JP, Gijbels R, Molecular physics 85, 527 (1995). http://doi.org/10.1080/00268979500101281
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 1.72
Times cited: 19
DOI: 10.1080/00268979500101281
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“Structure and function of p53-DNA complexes with inactivation and rescue mutations : a molecular dynamics simulation study”. Kamaraj B, Bogaerts A, PLoS ONE 10, e0134638 (2015). http://doi.org/10.1371/journal.pone.0134638
Abstract: The tumor suppressor protein p53 can lose its function upon DNA-contact mutations (R273C and R273H) in the core DNA-binding domain. The activity can be restored by second-site suppressor or rescue mutations (R273CT284R, R273HT284R, and R273HS240R). In this paper, we elucidate the structural and functional consequence of p53 proteins upon DNA-contact mutations and rescue mutations and the underlying mechanisms at the atomic level by means of molecular dynamics simulations. Furthermore, we also apply the docking approach to investigate the binding phenomena between the p53 protein and DNA upon DNA-contact mutations and rescue mutations. This study clearly illustrates that, due to DNA-contact mutants, the p53 structure loses its stability and becomes more rigid than the native protein. This structural loss might affect the p53-DNA interaction and leads to inhibition of the cancer suppression. Rescue mutants (R273CT284R, R273HT284R and R273HS240R) can restore the functional activity of the p53 protein upon DNA-contact mutations and show a good interaction between the p53 protein and a DNA molecule, which may lead to reactivate the cancer suppression function. Understanding the effects of p53 cancer and rescue mutations at the molecular level will be helpful for designing drugs for p53 associated cancer diseases. These drugs should be designed so that they can help to inhibit the abnormal function of the p53 protein and to reactivate the p53 function (cell apoptosis) to treat human cancer.
Keywords: A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 2.806
DOI: 10.1371/journal.pone.0134638
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“Structure and infrared spectroscopy of the C11 molecule”. Martin JML, François JP, Gijbels R, Almlöf J, Chemical physics letters 187, 367 (1991). http://doi.org/10.1016/0009-2614(91)80267-2
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 1.897
Times cited: 42
DOI: 10.1016/0009-2614(91)80267-2
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“The structure, energetics, and harmonic vibrations of B3N”. Slanina Z, Martin JML, François JP, Gijbels R, Chemical physics letters 201, 54 (1993). http://doi.org/10.1016/0009-2614(93)85033-K
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 1.897
Times cited: 20
DOI: 10.1016/0009-2614(93)85033-K
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“The structure, energetics, and harmonic vibrations of B3N and BN3”. Martin JML, Slanina Z, François JP, Gijbels R, Molecular physics 82, 155 (1994). http://doi.org/10.1080/00268979400100114
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 1.72
Times cited: 19
DOI: 10.1080/00268979400100114
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“Structure of multispecies charged particles in a quadratic trap”. Liu YH, Chen ZY, Yu MY, Wang L, Bogaerts A, Physical review : E : statistical physics, plasmas, fluids, and related interdisciplinary topics 73, 047402 (2006). http://doi.org/10.1103/PhysRevE.73.047402
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 2.366
Times cited: 25
DOI: 10.1103/PhysRevE.73.047402
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“Structures and thermochemistry of B3N3 and B4N4”. Martin JML, El-Yazal J, François JP, Gijbels R, Chemical physics letters 232, 289 (1995). http://doi.org/10.1016/0009-2614(94)01336-T
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 1.897
Times cited: 35
DOI: 10.1016/0009-2614(94)01336-T
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“Study of a hollow cathode glow discharge in He: Monte Carlo-fluid model combined with a transport model for the metastable atoms”. Baguer N, Bogaerts A, Gijbels R, Journal of applied physics 93, 47 (2003). http://doi.org/10.1063/1.1518784
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 2.068
Times cited: 24
DOI: 10.1063/1.1518784
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“Study of atmospheric MOCVD of TiO2 thin films by means of computational fluid dynamics simulations”. Baguer N, Neyts E, van Gils S, Bogaerts A, Chemical vapor deposition 14, 339 (2008). http://doi.org/10.1002/cvde.200806708
Abstract: This paper presents the computational study of the metal-organic (MO) CVD of titanium dioxide (TiO2) films grown using titanium tetraisopropoxide (TTIP) as a precursor and nitrogen as a carrier gas. The TiO2 films are deposited under atmospheric pressure. The effects of the precursor concentration, the substrate temperature, and the hydrolysis reaction on the deposition process are investigated. It is found that hydrolysis of the TTIP decreases the onset temperature of the gas-phase thermal decomposition, and that the deposition rate increases with the precursor concentration and with the decrease of substrate temperature. Concerning the mechanism responsible for the film growth, the model shows that at the lowest precursor concentration, the direct adsorption of the precursor is dominant, while at higher precursor concentrations, the monomer deposition becomes more important.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 1.333
Times cited: 14
DOI: 10.1002/cvde.200806708
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“Study of quasi-fractal many-particle-systems and percolation networks by zero-loss spectroscopic imaging, electron energy-loss spectroscopy and digital image analysis”. Oleshko V, Kindratenko V, Gijbels R, van Espen P, Jacob W, Mikrochimica acta: supplementum 13, 443 (1996)
Abstract: Submicron colloidal Ag particles and nano-sized filaments forming a statistical percolation network during ''in situ'' development of double structure tabular microcrystals of AgRr(I) emulsions have been studied by electron energy-loss spectroscopy and zero-loss electron spectroscopic imaging (EELS/ZLESI). Image analysis has shown that random quasi-fractal clusters were formed in the colloid. ZLESI has been applied to characterise the morphology and defect structure of aggregated particles and filaments. Their energy-loss spectra revealed plasmon excitations and interband 4d electron transitions between 4-32 eV energy-loss. To study the cluster structure and its relation to the physical properties, fractal analysis including estimations of cluster fractal dimensions and of density autocorrelation functions has been performed. Mechanisms of fractal aggregation based on known models of diffusion limited aggregation, cluster-cluster aggregation and percolation are discussed.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT); Chemometrics (Mitac 3)
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“Study of the Ar metastable atom population in a hollow cathode discharge by means of a hybrid model and spectrometric measurements”. Baguer N, Bogaerts A, Donko Z, Gijbels R, Sadeghi N, Journal of applied physics 97, 123305 (2005). http://doi.org/10.1063/1.1929857
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 2.068
Times cited: 40
DOI: 10.1063/1.1929857
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“Similarities and differences between gliding glow and gliding arc discharges”. Kolev S, Bogaerts A, Plasma sources science and technology 24, 065023 (2015). http://doi.org/10.1088/0963-0252/24/6/065023
Abstract: In this work we have analyzed the properties of a gliding dc discharge in argon at atmospheric pressure. Despite the usual designation of these discharges as ‘gliding arc discharges’, it was found previously that they operate in two different regimes—glow and arc. Here we analyze the differences in both regimes by means of two dimensional fluid modeling. In order to address different aspects of the discharge operation, we use two models—Cartesian and axisymmetric in a cylindrical coordinate system. The obtained results show that the two types of discharges produce a similar plasma column for a similar discharge current. However, the different mechanisms of plasma channel attachment to the cathode could produce certain differences in the plasma parameters (i.e. arc elongation), and this can affect gas treatments applications.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 3.302
Times cited: 12
DOI: 10.1088/0963-0252/24/6/065023
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“Study of the nucleation and growth of TiO2 and ZnO thin films by means of molecular dynamics simulations”. Baguer N, Georgieva V, Calderin L, Todorov IT, van Gils S, Bogaerts A, Journal of crystal growth 311, 4034 (2009). http://doi.org/10.1016/j.jcrysgro.2009.06.034
Abstract: The nucleation and growth of titanium dioxide (TiO2) and zinc oxide (ZnO) thin films on Fe2O3 (hematite), Al2O3 (á-alumina) and SiO2 (á-quartz) are studied by molecular dynamics simulations. The results show the formation of a strong interface region between the substrate and the film in the six systems studied here. A combination of polycrystalline and amorphous phases are observed in the TiO2 films grown on the three substrates. ZnO deposition on the Fe2O3 and Al2O3 crystals yields a monocrystalline film growth. The ZnO film deposited on the SiO2 crystal exhibits less crystallinity. The simulation results are compared with experimental results available in the literature.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 1.751
Times cited: 23
DOI: 10.1016/j.jcrysgro.2009.06.034
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“Study of the sputtered Cu atoms and Cu+ ions in a hollow cathode glow discharge using a hybrid model”. Baguer N, Bogaerts A, Journal of applied physics 98, 033303 (2005). http://doi.org/10.1063/1.2005381
Abstract: The role of the Cu atoms sputtered from the cathode material in a cylindrical hollow cathode discharge (HCD) and the corresponding Cu+ ions are studied with a self-consistent model based on the principle of Monte Carlo (MC) and fluid simulations. In order to obtain a more realistic view of the discharge processes, this model is coupled with other submodels, which describe the behavior of electrons, fast Ar atoms, Ar+ ions, and Ar metastable atoms, also based on the principles of MC and fluid simulations. Typical results are, among others, the thermalization profile of the Cu atoms, the fast Cu atom, the thermal Cu atom and Cu+ ion fluxes and densities, and the energy distribution of the Cu+ ions. It was found that the contribution of the Ar+ ions to the sputtering was the most significant, followed by the fast Ar atoms. At the cathode bottom, there was no net sputtered flux but a net amount of redeposition. Throughout the discharge volume, at all the conditions investigated, the largest concentration of Cu atoms was found in the lower half of the HCD, close to the bottom. Penning ionization was found the main ionization mechanism for the Cu atoms. The ionization degree of copper atoms was found to be in the same order as for the argon atoms (10-4). (c) 2005 American Institute of Physics.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 2.068
Times cited: 18
DOI: 10.1063/1.2005381
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“Sulfur species and associated trace elements in south-west Bulgarian thermal waters”. Veldeman E, Van 't dack L, Gijbels R, Pentcheva E, Applied geochemistry 6, 49 (1991)
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 2.268
Times cited: 7
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