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“Modeling of the synthesis and subsequent growth of nanoparticles in dusty plasmas”. de Bleecker K, Bogaerts A, High temperature material processes 11, 21 (2007). http://doi.org/10.1615/HighTempMatProc.v11.i1.20
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
DOI: 10.1615/HighTempMatProc.v11.i1.20
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“Modeling of the target surface modification by reactive ion implantation during magnetron sputtering”. Depla D, Chen ZY, Bogaerts A, Ignatova V, de Gryse R, Gijbels R, Journal of vacuum science and technology: A: vacuum surfaces and films 22, 1524 (2004). http://doi.org/10.1116/1.1705641
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 1.374
Times cited: 13
DOI: 10.1116/1.1705641
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“Modeling PECVD growth of nanostructured carbon materials”. Neyts E, Bogaerts A, van de Sanden MCM, High temperature material processes 13, 399 (2009). http://doi.org/10.1615/HighTempMatProc.v13.i3-4.120
Abstract: We present here some of our modeling efforts for PECVD growth of nanostructured carbon materials with focus on amorphous hydrogenated carbon. Experimental data from an expanding thermal plasma setup were used as input for the simulations. Attention was focused both on the film growth mechanism, as well as on the hydrocarbon reaction mechanisms during growth of the films. It is found that the reaction mechanisms and sticking coefficients are dependent on the specific surface sites, and the structural properties of the growth radicals. The film growth results are in correspondence with the experiment. Furthermore, it is found that thin a-C:H films can be densified using an additional H-flux towards the substrate.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
DOI: 10.1615/HighTempMatProc.v13.i3-4.120
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“Modeling study on the influence of the pressure on a dielectric barrier discharge microplasma”. Martens T, Bogaerts A, Brok WJM, van der Mullen JJAM, Journal of analytical atomic spectrometry 22, 1003 (2007). http://doi.org/10.1039/b704903j
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 3.379
Times cited: 17
DOI: 10.1039/b704903j
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“Modeling SiH4/O2/Ar inductively coupled plasmas used for filling of microtrenches in shallow trench isolation (STI)”. Tinck S, Bogaerts A, Plasma processes and polymers 9, 522 (2012). http://doi.org/10.1002/ppap.201100093
Abstract: Modeling results are presented to gain a better insight in the properties of a SiH4/O2/Ar inductively coupled plasma (ICP) and how it interacts with a silicon substrate (wafer), as applied in the microelectronics industry for the fabrication of electronic devices. The SiH4/O2/Ar ICP is used for the filling of microtrenches with isolating material (SiO2), as applied in shallow trench isolation (STI). In this article, a detailed reaction set that describes the plasma chemistry of SiH4/O2/Ar discharges as well as surface processes, such as sputtering, oxidation, and deposition, is presented. Results are presented on the plasma properties during the plasma enhanced chemical vapor deposition process (PECVD) for different gas ratios, as well as on the shape of the filled trenches and the surface compositions of the deposited layers. For the operating conditions under study it is found that the most important species accounting for deposition are SiH2, SiH3O, SiH3 and SiH2O, while SiH+2, SiH+3, O+2 and Ar+ are the dominant species for sputtering of the surface. By diluting the precursor gas (SiH4) in the mixture, the deposition rate versus sputtering rate can be controlled for a desired trench filling process. From the calculation results it is clear that a high deposition rate will result in undesired void formation during the trench filling, while a small deposition rate will result in undesired trench bottom and mask damage by sputtering. By varying the SiH4/O2 ratio, the chemical composition of the deposited layer will be influenced. However, even at the highest SiH4/O2 ratio investigated (i.e., 3.2:1; low oxygen content), the bulk deposited layer consists mainly of SiO2, suggesting that low-volatile silane species deposit first and subsequently become oxidized instead of being oxidized first in the plasma before deposition. Finally, it was found that the top surface of the deposited layer contained less oxygen due to preferential sputtering of O atoms, making the top layer more Si-rich. However, this effect is negligible at a SiH4/O2 ratio of 2:1 or lower.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 2.846
Times cited: 5
DOI: 10.1002/ppap.201100093
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Wendelen W (2014) Modeling ultrashort pulsed laser induced electron emission. Antwerpen
Keywords: Doctoral thesis; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
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“Modelleren van plasmas gebruikt voor de afzetting van dunne lagen”. Herrebout D, Bogaerts A, Gijbels R, Chemie magazine , 34 (2004)
Keywords: A2 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
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“Modelling of a dielectric barrier glow discharge at atmospheric pressure in nitrogen”. Madani M, Bogaerts A, Gijbels R, Vangeneugden D, , 130 (2002)
Keywords: P3 Proceeding; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
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“Modelling of nanoparticle coagulation and transport dynamics in dusty silane discharges”. de Bleecker K, Bogaerts A, Goedheer W, New journal of physics 8, 178 (2006). http://doi.org/10.1088/1367-2630/8/9/178
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 3.786
Times cited: 20
DOI: 10.1088/1367-2630/8/9/178
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“Modern developments and applications in microbeam analysis: proceedings of the 10th Workshop of the European Microbeam Analysis Society (EMAS), Antwerp, Belgium, May 6-10, 2007”. Van 't dack L, Gijbels R, Walker CT, Microchimica acta 161, 285 (2008). http://doi.org/10.1007/s00604-008-0958-5
Keywords: Editorial; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 4.58
Times cited: 1
DOI: 10.1007/s00604-008-0958-5
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“Molecular dynamics simulation of dust clusters in plasmas”. Chen Z, Yu MY, Luo H, Physica scripta 71, 638 (2005). http://doi.org/10.1088/0031-8949/71/6/010
Abstract: Finite and infinite three-dimensional dust systems and their configurational and transport properties are investigated by Molecular Dynamics simulation. The model dust-dust interaction potential includes an attraction part. Spherical dust clusters or balls are found and their structural and transport properties studied. Qualitatively, the cluster structure agrees well with recent experimental results.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 1.28
Times cited: 13
DOI: 10.1088/0031-8949/71/6/010
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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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“Molecular dynamics simulation of temperature effects on CF(3)(+) etching of Si surface”. Jian-Ping N, Xiao-Dan L, Cheng-Li Z, You-Min Q, Ping-Ni H, Bogaerts A, Fu-Jun G, Wuli xuebao 59, 7225 (2010)
Abstract: Molecular dynamics method was employed to investigate the effects of the reaction layer formed near the surface region on CF(3)(+) etching of Si at different temperatures. The simulation results show that the coverages of F and C are sensitive to the surface temperature. With increasing temperature, the physical etching is enhanced, while the chemical etching is weakened. It is found that with increasing surface temperature, the etching rate of Si increases. As to the etching products, the yields of SiF and SiF(2) increase with temperature, whereas the yield of SiF(3) is not sensitive to the surface temperature. And the increase of the etching yield is mainly due to the increased desorption of SiF and SiF(2). The comparison shows that the reactive layer plays an important part in the subsequeat impacting, which enhances the etching rate of Si and weakens the chemical etching intensity.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 0.624
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“Molecular dynamics simulation of the impact behaviour of various hydrocarbon species on DLC”. Neyts E, Bogaerts A, Gijbels R, Benedikt J, van de Sanden MCM, Nuclear instruments and methods in physics research: B: beam interactions with materials and atoms 228, 315 (2005). http://doi.org/10.1016/j.nimb.2004.10.063
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 1.109
Times cited: 19
DOI: 10.1016/j.nimb.2004.10.063
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“Molecular dynamics simulations for the growth of diamond-like carbon films from low kinetic energy species”. Neyts E, Bogaerts A, Gijbels R, Benedikt J, van den Sanden MCM, Diamond and related materials 13, 1873 (2004). http://doi.org/10.1016/j.diamond.2004.05.011
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 2.561
Times cited: 53
DOI: 10.1016/j.diamond.2004.05.011
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“Molecular dynamics simulations of supported metal nanocatalyst formation by plasma sputtering”. Brault P, Neyts EC, Catalysis today 256, 3 (2015). http://doi.org/10.1016/j.cattod.2015.02.004
Abstract: Magnetron sputtering is a widely used physical vapor deposition technique for deposition and formation of nanocatalyst thin films and clusters. Nevertheless, so far only few studies investigated this formation process at the fundamental level. We here review atomic scale molecular dynamics simulations aimed at elucidating the nanocatalyst growth process through magnetron sputtering. We first introduce the basic magnetron sputtering background and machinery of molecular dynamics simulations, and then describe the studies conducted in this field so far. We also present a perspective view on how the field may be developed further.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 4.636
Times cited: 18
DOI: 10.1016/j.cattod.2015.02.004
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“Molecular dynamics simulations of the growth of thin a-C:H films under additional ion bombardment: influence of the growth species and the Ar+ ion kinetic energy”. Neyts E, Eckert M, Bogaerts A, Chemical vapor deposition 13, 312 (2007). http://doi.org/10.1002/cvde.200606551
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.200606551
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“Molecular dynamics simulations of the sticking and etch behavior of various growth species of (ultra)nanocrystalline diamond films”. Eckert M, Neyts E, Bogaerts A, Chemical vapor deposition 14, 213 (2008). http://doi.org/10.1002/cvde.200706657
Abstract: The reaction behavior of species that may affect the growth of ultrananocrystal line and nanocrystalline diamond ((U)NCD) films is investigated by means of molecular dynamics simulations. Impacts of CHx (x = 0 – 4), C2Hx (x=0-6), C3Hx (x=0-2), C4Hx (x = 0 – 2), H, and H-2 on clean and hydrogenated diamond (100)2 x 1 and (111) 1 x 1 surfaces at two different substrate temperatures are simulated. We find that the different bonding structures of the two surfaces cause different temperature effects on the sticking efficiency. These results predict a temperature-dependent ratio of diamond (100) and (111) growth. Furthermore, predictions of which are the most important hydrocarbon species for (U)NCD growth are made.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 1.333
Times cited: 25
DOI: 10.1002/cvde.200706657
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“Molecular information in static SIMS for the speciation of inorganic compounds”. van Ham R, Adriaens A, van Vaeck L, Gijbels R, Adams F, Nuclear instruments and methods in physics research: B: beam interactions with materials and atoms 161/163, 245 (2000). http://doi.org/10.1016/S0168-583X(99)00750-8
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 1.109
Times cited: 19
DOI: 10.1016/S0168-583X(99)00750-8
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“Molecular speciation of inorganic mixtures by Fourier transform laser microprobe mass sepctrometry”. Ignatova VA, van Vaeck L, Gijbels R, Adams F, International journal of mass spectrometry 225, 213 (2003). http://doi.org/10.1016/S1387-3806(02)01116-8
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 1.702
Times cited: 9
DOI: 10.1016/S1387-3806(02)01116-8
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“Monte Carlo analysis of the electron thermalization process in the afterglow of a microsecond dc pulsed glow discharge”. Martín A, Bordel N, Pereiro R, Bogaerts A, Spectrochimica acta: part B : atomic spectroscopy 63, 1274 (2008). http://doi.org/10.1016/j.sab.2008.09.012
Abstract: A Monte Carlo model is utilized for studying the behavior of electrons in the afterglow of an analytical microsecond dc pulsed glow discharge. This model uses several quantities as input data, such as electric field and potential, ion flux at the cathode, the fast argon ion and atom impact ionization rates, slow electron density, the electrical characterization of the pulse (voltage and current profiles) and temperature profile. These quantities were obtained by earlier Monte Carlo fluid calculations for a pulsed discharge. Our goal is to study the behavior of the so-called Monte Carlo electrons (i.e., those electrons created at the cathode or by ionization collisions in the plasma which are followed by using the Monte Carlo model) from their origin to the moment when they are absorbed at the cell walls or when they have lost their energy by collisions (being transferred to the group of slow electrons) in the afterglow of the pulsed discharge. The thermalization of the electrons is a phenomenon where the electron-electron Coulomb collisions acquire a special importance. Indeed, in the afterglow the cross sections of the other electron reactions taken into account in the model are very low, because of the very low electron energy. We study the electron energy distributions at several times during and after the pulse and at several positions in the plasma cell, focusing on the thermalization and on the behavior of the electrons in the afterglow. Also, the time evolution of the rates of the various collision processes, the average electron energy, the densities of Monte Carlo and slow electrons and the ionization degree are investigated.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 3.241
Times cited: 9
DOI: 10.1016/j.sab.2008.09.012
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“Monte Carlo method for simulations of adsorbed atom diffusion on a surface”. Liu YH, Neyts E, Bogaerts A, Diamond and related materials 15, 1629 (2006). http://doi.org/10.1016/j.diamond.2006.01.012
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 2.561
Times cited: 5
DOI: 10.1016/j.diamond.2006.01.012
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“Monte Carlo model for the argon ions and fast argon atoms in a radio-frequency discharge”. Bogaerts A, Gijbels R, IEEE transactions on plasma science 27, 1406 (1999). http://doi.org/10.1109/27.799819
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 1.052
Times cited: 15
DOI: 10.1109/27.799819
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“Monte Carlo simulation of an analytical glow discharge: motion of electrons, ions and fast neutrals in the cathode dark space”. Bogaerts A, van Straaten M, Gijbels R, Spectrochimica acta: part B : atomic spectroscopy 50, 179 (1995). http://doi.org/10.1016/0584-8547(94)00117-E
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 3.176
Times cited: 95
DOI: 10.1016/0584-8547(94)00117-E
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“Multi-element model for the simulation of inductively coupled plasmas : effects of helium addition to the central gas stream”. Lindner H, Bogaerts A, Spectrochimica acta: part B : atomic spectroscopy 66, 421 (2011). http://doi.org/10.1016/j.sab.2011.04.007
Abstract: A model for an atmospheric pressure inductively coupled plasma (ICP) is developed which allows rather easy extension to a variable number of species and ionisation degrees. This encompasses an easy calculation of transport parameters for mixtures, ionisation and heat capacity. The ICP is modeled in an axisymmetric geometry, taking into account the gas streaming into a flowing ambient gas. A mixture of argon and helium is applied in the injector gas stream as it is often done in laser ablation ICP spectrometry. The results show a strong influence of the added helium on the center of the ICP, which is important for chemical analysis. The length of the central channel is significantly increased and the temperature inside is significantly higher than in the case of pure argon. This means that higher gas volume flow rates can be applied by addition of helium compared to the use of pure argon. This has the advantage that the gas velocity in the transport system towards the ICP can be increased, which allows shorter washout-times. Consequently, shorter measurement times can be achieved, e.g. for spatial mapping analyses in laser ablation ICP spectrometry. Furthermore, the higher temperature and the longer effective plasma length will increase the maximum size of droplets or particles injected into the ICP that are completely evaporated at the detection site. Thus, we expect an increase of the analytical performance of the ICP by helium addition to the injector gas.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 3.241
Times cited: 28
DOI: 10.1016/j.sab.2011.04.007
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Autrique D (2014) Multiphase modelling of a ns-laser-irradiated copper sample. Antwerpen
Keywords: Doctoral thesis; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
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“Multiple void formation in plasmas containing multispecies charged grains”. Liu YH, Chen ZY, Yu MY, Bogaerts A, Physical review : E : statistical physics, plasmas, fluids, and related interdisciplinary topics 74, 056401 (2006). http://doi.org/10.1103/PhysRevE.74.056401
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 2.366
Times cited: 21
DOI: 10.1103/PhysRevE.74.056401
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“Multiplicity and contiguity of ablation mechanisms in laser-assisted analytical micro-sampling”. Bleiner D, Bogaerts A, Spectrochimica acta: part B : atomic spectroscopy 61, 421 (2006). http://doi.org/10.1016/j.sab.2006.02.007
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 3.241
Times cited: 48
DOI: 10.1016/j.sab.2006.02.007
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“Nanoscale thermodynamic aspects of plasma catalysis”. Neyts EC, Ostrikov K(K), Catalysis today 256, 23 (2015). http://doi.org/10.1016/j.cattod.2015.02.025
Abstract: Plasma catalysis continues to gain increasing scientific interest, both in established fields like toxic waste abatement and emerging fields like greenhouse gas conversion into value-added chemicals. Attention is typically focused on the obtained conversion process selectivity, rates and energy efficiency. Much less attention is usually paid to the underlying mechanistic aspects of the processes that occur. In this contribution, we critically examine a number of fundamentally important nanoscale thermodynamic aspects of plasma catalysis, which are very relevant to these processes but so far have been overlooked or insufficiently covered in the plasma catalysis literature.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 4.636
Times cited: 14
DOI: 10.1016/j.cattod.2015.02.025
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“Nanosecond laser ablation of Cu: modeling of the expansion in He background gas, and comparison with expansion in vacuum”. Bogaerts A, Chen Z, Journal of analytical atomic spectrometry 19, 1169 (2004). http://doi.org/10.1039/b402946a
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 3.379
Times cited: 39
DOI: 10.1039/b402946a
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