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“Optimized transport setup for high repetition rate pulse-separated analysis in laser ablation-inductively coupled plasma mass spectrometry”. Lindner H, Autrique D, Garcia CC, Niemax K, Bogaerts A, Analytical chemistry 81, 4241 (2009). http://doi.org/10.1021/ac802627x
Abstract: An optimized laser ablation setup, proposed for high repetition rate inductively coupled plasma mass spectrometry (ICPMS) analyses such as 2D imaging or depth profiling, is presented. For such applications, the particle washout time needs to be as short as possible to allow high laser pulse frequencies for reduced analysis time. Therefore, it is desirable to have an ablation setup that operates as a laminar flow reactor (LFR). A top-down strategy was applied that resulted in the present design. In the first step, a previously applied ablation setup was analyzed on the basis of computational fluid dynamics (CFD) results presented by D. Autrique et al. (Spectrochim. Acta, B 2008, 63, 257−270). By means of CFD simulations, the design was modified in such a way that it operated in the LFR regime. Experimental results demonstrate that the current design can indeed be regarded as an LFR. Furthermore, the operation under LFR conditions allowed some insight into the initial radial concentration distribution if the experimental ICPMS signal and analytical expressions are taken into account. Recommendations for a modified setup for more resilient spatial distributions are given. With the present setup, a washout time of 140 ms has been achieved for a 3% signal area criterion. Therefore, 7 Hz repetition rates can be applied with the present setup. Using elementary formulas of the analytical model, an upper bound for the washout times for similar setups can be predicted. The authors believe that the presented setup geometry comes close to the achievable limit for reliable short washout times.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 6.32
Times cited: 18
DOI: 10.1021/ac802627x
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“Computer modeling of plasmas and plasma-surface interactions”. Bogaerts A, Bultinck E, Eckert M, Georgieva V, Mao M, Neyts E, Schwaederlé, L, Plasma processes and polymers 6, 295 (2009). http://doi.org/10.1002/ppap.200800207
Abstract: In this paper, an overview is given of different modeling approaches used for describing gas discharge plasmas, as well as plasma-surface interactions. A fluid model is illustrated for describing the detailed plasma chemistry in capacitively coupled rf discharges. The strengths and limitations of Monte Carlo simulations and of a particle-in-cell-Monte Carlo collisions model are explained for a magnetron discharge, whereas the capabilities of a hybrid Monte Carlo-fluid approach are illustrated for a direct current glow discharge used for spectrochemical analysis of materials. Finally, some examples of molecular dynamics simulations, for the purpose of plasma-deposition, are given.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 2.846
Times cited: 18
DOI: 10.1002/ppap.200800207
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“Investigation of etching and deposition processes of Cl2/O2/Ar inductively coupled plasmas on silicon by means of plasmasurface simulations and experiments”. Tinck S, Boullart W, Bogaerts A, Journal of physics: D: applied physics 42, 095204 (2009). http://doi.org/10.1088/0022-3727/42/9/095204
Abstract: In this paper, a simulation method is described to predict the etching behaviour of Cl2/O2/Ar inductively coupled plasmas on a Si substrate, as used in shallow trench isolation for the production of electronic devices. The hybrid plasma equipment model (HPEM) developed by Kushner et al is applied to calculate the plasma characteristics in the reactor chamber and two additional Monte Carlo simulations are performed to predict the fluxes, angles and energy of the plasma species bombarding the Si substrate, as well as the resulting surface processes such as etching and deposition. The simulations are performed for a wide variety of operating conditions such as gas composition, chamber pressure, power deposition and substrate bias. It is predicted by the simulations that when the fraction of oxygen in the gas mixture is too high, the oxidation of the Si substrate is superior to the etching of Si by chlorine species, resulting in an etch rate close to zero as is also observed in the experiments.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 2.588
Times cited: 23
DOI: 10.1088/0022-3727/42/9/095204
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“Modeling adatom surface processes during crystal growth: a new implementation of the Metropolis Monte Carlo algorithm”. Eckert M, Neyts E, Bogaerts A, CrystEngComm 11, 1597 (2009). http://doi.org/10.1039/b822973m
Abstract: In this paper, a new implementation of the Metropolis Monte Carlo (MMC) algorithm is presented. When combining the MMC model with a molecular dynamics (MD) code, crystal growth by plasma-enhanced chemical vapor deposition can be simulated. As the MD part simulates impacts of growth species onto the surface on a time scale of picoseconds, the MMC algorithm simulates the slower adatom surface processes. The implementation includes a criterion for the selection of atoms that are allowed to be displaced during the simulation, and a criterion of after how many MMC cycles the simulation is stopped. We performed combined MD-MMC simulations for hydrocarbon species that are important for the growth of ultrananocrystalline diamond (UNCD) films at partially hydrogenated diamond surfaces, since this implementation is part of a study of the growth mechanisms of (ultra)nanocrystalline diamond films. Exemplary for adatom arrangements during the growth of UNCD, the adatom surface behavior of C and C2H2 at diamond (111)1 × 1, C and C4H2 at diamond (111)1 × 1 and C3 at diamond (100)2 × 1 has been investigated. For all cases, the diamond crystal structure is pursued under the influence of MMC simulation. Additional longer time-scale MD simulations put forward very similar structures, verifying the MMC algorithm. Nevertheless, the MMC simulation time is typically one order of magnitude shorter than the MD simulation time.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 3.474
Times cited: 15
DOI: 10.1039/b822973m
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“Modeling of chemical processes in the low pressure capacitive radio frequency discharges in a mixture of Ar/C2H2”. Ariskin DA, Schweigert IV, Alexandrov AL, Bogaerts A, Peeters FM, Journal of applied physics 105, 063305 (2009). http://doi.org/10.1063/1.3095760
Abstract: We study the properties of a capacitive 13.56 MHz discharge with a mixture of Ar/C<sub>2</sub>H<sub>2</sub> taking into account the plasmochemistry and growth of heavy hydrocarbons. A hybrid model was developed to combine the kinetic description for electron motion and the fluid approach for negative and positive ion transports and plasmochemical processes. A significant change in plasma parameters related to injection of 5.8% portion of acetylene in argon was observed and analyzed. We found that the electronegativity of the mixture is about 30%. The densities of negatively and positively charged heavy hydrocarbons are sufficiently large to be precursors for the formation of nanoparticles in the discharge volume.
Keywords: A1 Journal article; Condensed Matter Theory (CMT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 2.068
Times cited: 21
DOI: 10.1063/1.3095760
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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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“Reactive sputter deposition of TiNx films, simulated with a particle-in-cell/Monte Carlo collisions model”. Bultinck E, Mahieu S, Depla D, Bogaerts A, New journal of physics 11, 023039 (2009). http://doi.org/10.1088/1367-2630/11/2/023039
Abstract: The physical processes in an Ar/N2 magnetron discharge used for the reactive sputter deposition of TiNx thin films were simulated with a 2d3v particle-in-cell/Monte Carlo collisions (PIC/MCC) model. Cathode currents and voltages were calculated self-consistently and compared with experiments. Also, ion fractions were calculated and validated with mass spectrometric measurements. With this PIC/MCC model, the influence of N2/Ar gas ratio on the particle densities and fluxes was investigated, taking into account the effect of the poisoned state of the target.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 3.786
Times cited: 23
DOI: 10.1088/1367-2630/11/2/023039
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“Numerical study of the sputtering in a dc magnetron”. Kolev I, Bogaerts A, Journal of vacuum science and technology: A: vacuum surfaces and films 27, 20 (2009). http://doi.org/10.1021/jp8058992
Abstract: Molecular dynamics simulations were used to investigate the size-dependent melting mechanism of nickel nanoclusters of various sizes. The melting process was monitored by the caloric curve, the overall cluster Lindemann index, and the atomic Lindemann index. Size-dependent melting temperatures were determined, and the correct linear dependence on inverse diameter was recovered. We found that the melting mechanism gradually changes from dynamic coexistence melting to surface melting with increasing cluster size. These findings are of importance in better understanding carbon nanotube growth by catalytic chemical vapor deposition as the phase state of the catalyst nanoparticle codetermines the growth mechanism.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 4.536
Times cited: 66
DOI: 10.1021/jp8058992
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“Formation of endohedral Ni@C60 and exohedral NiC60 metallofullerene complexes by simulated ion implantation”. Neyts EC, Bogaerts A, Carbon 47, 1028 (2009). http://doi.org/10.1016/j.carbon.2008.12.023
Abstract: The interaction of thermal and hyperthermal Ni ions with gas-phase C60 fullerene was investigated at two temperatures with classical molecular dynamics simulations using a recently developed interatomic many-body potential. The interaction between Ni and C60 is characterized in terms of the NiC60 binding sites, complex formation, and the collision and temperature induced deformation of the C60 cage structure. The simulations show how ion implantation theoretically allows the synthesis of both endohedral Ni@C60 and exohedral NiC60 metallofullerene complexes.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 6.337
Times cited: 15
DOI: 10.1016/j.carbon.2008.12.023
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“Hybrid Monte Carlo: fluid model for studying the effects of nitrogen addition to argon glow discharges”. Bogaerts A, Spectrochimica acta: part B : atomic spectroscopy 64, 126 (2009). http://doi.org/10.1016/j.sab.2008.11.004
Abstract: A computer model is developed for describing argon/nitrogen glow discharges. The species taken into account in the model include electrons, Ar atoms in the ground state and in the 4s metastable levels, N2 molecules in the ground state and in six different electronically excited levels, N atoms, Ar+ ions, N+, N2+, N3+ and N4+ ions. The fast electrons are simulated with a Monte Carlo model, whereas all other species are treated in a fluid model. 74 different chemical reactions are considered in the model. The calculation results include the densities of all the different plasma species, as well as information on their production and loss processes. The effect of different N2 additions, in the range between 0.1 and 10%, is investigated.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 3.241
Times cited: 49
DOI: 10.1016/j.sab.2008.11.004
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“Numerical study on energy efficiency of a cylindrical dielectric barrier discharge plasma-chemical reactor”. Petrovic D, Martens T, De Bie C, van Dijk J, Brok WJM, Bogaerts A, , 109 (2009)
Keywords: P1 Proceeding; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
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“Numerical study of the size-dependent melting mechanisms of nickel nanoclusters”. Neyts EC, Bogaerts A, The journal of physical chemistry: C : nanomaterials and interfaces 113, 2771 (2009)
Abstract: Molecular dynamics simulations were used to investigate the size-dependent melting mechanism of nickel nanoclusters of various sizes. The melting process was monitored by the caloric curve, the overall cluster Lindemann index, and the atomic Lindemann index. Size-dependent melting temperatures were determined, and the correct linear dependence on inverse diameter was recovered. We found that the melting mechanism gradually changes from dynamic coexistence melting to surface melting with increasing cluster size. These findings are of importance in better understanding carbon nanotube growth by catalytic chemical vapor deposition as the phase state of the catalyst nanoparticle codetermines the growth mechanism.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 4.536
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“Improving dielectric barrier discharge efficiency by optimizing voltage profiles”. Martens T, Brok WJM, van Dijk J, Bogaerts A, , 95 (2009)
Keywords: P1 Proceeding; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
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“Glow discharge optical spectroscopy and mass spectrometry”. Steiner RE, Barshick CM, Bogaerts A Wiley, Chichester, page 1 (2009).
Abstract: Optical (atomic absorption spectroscopy, AAS; atomic emission spectroscopy, AES; atomic fluorescence spectroscopy, AFS; and optogalvanic spectroscopy) and mass spectrometric (magnetic sector, quadrupolemass analyzer, QMA; quadrupole ion trap, QIT; Fourier transform ion cyclotron resonance, FTICR; and time-of-flight, TOF) instrumentation are well suited for coupling to the glow discharge (GD). The GD is a relatively simple device. A potential gradient (5001500 V) is applied between an anode and a cathode. In most cases, the sample is also the cathode. A noble gas (e.g. Ar, Ne, and Xe) is introduced into the discharge region before power initiation. When a potential is applied, electrons are accelerated toward the anode. As these electrons accelerate, they collide with gas atoms. A fraction of these collisions are of sufficient energy to remove an electron from a support gas atom, forming an ion. These ions are, in turn, accelerated toward the cathode. These ions impinge on the surface of the cathode, sputtering sample atoms from the surface. Sputtered atoms that do not redeposit on the surface diffuse into the excitation/ionization regions of the plasma where they can undergo excitation and/or ionization via a number of collisional processes. GD sources offer a number of distinct advantages that make them well suited for specific types of analyses. These sources afford direct analysis of solid samples, thus minimizing the sample preparation required for analysis. The nature of the plasma also provides mutually exclusive atomization and excitation processes that help to minimize the matrix effects that plague so many other elemental techniques. Unfortunately, the GD source functions optimally in a dry environment, making analysis of solutions more difficult. These sources also suffer from difficulties associated with analyzing nonconductingsamples. In this article, first, the principles of operation of the GD plasma are reviewed, with an emphasis on how those principles relate to optical spectroscopy and mass spectrometry. Basic applications of the GD techniques are considered next. These include bulk analysis, surface analysis, and the analysis of solution samples. The requirements necessary to obtain optical information are addressed following the analytical applications. This section focuses on the instrumentation needed to make optical measurements using the GD as an atomization/excitation source. Finally, mass spectrometric instrumentation and interfaces are addressed as they pertain to the use of a GD plasma as an ion source. GDsources provide analytically useful gas-phase species from solid samples. These sources can be interfaced with avariety of spectroscopic and spectrometric instruments for both quantitative and qualitative analysis.
Keywords: H1 Book chapter; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
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“Description of the plasma chemistry in an atmospheric pressure CH4 dielectric barrier discharge using a two dimensional fluid model”. De Bie C, Martens T, van Dijk J, van der Mullen JJAM, Bogaerts A, , 13 (2009)
Keywords: P1 Proceeding; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
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“Cluster issue on plasma modelling”. van Dijk J, Kroesen GMW, Bogaerts A London (2009).
Keywords: ME3 Book as editor; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
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“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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“Modeling of a dielectric barrier discharge used as a flowing chemical reactor”. Petrović, D, Martens T, van Dijk J, Brok WJM, Bogaerts A, Journal of physics : conference series 133, 012023 (2008). http://doi.org/10.1088/1742-6596/133/1/012023
Abstract: Our aim is to develop and optimize a model for a dielectric barrier discharge used as a chemical reactor for gas treatment. In order to determine the optimum operating conditions, we have studied the influence of the gas flow rate, reactor geometry and applied voltage parameters on the discharge characteristics. For this purpose, a two-dimensional time-dependent fluid model has been applied to an atmospheric pressure DBD in helium with nitrogen impurities, in a cylindrical geometry. The numerical model is based on the continuity and flux equations for each type of particles treated, the electron energy equation and the Poisson equation. The gas flow is incorporated in the flux equations as a source term. The set of coupled partial differential equations is solved by the so-called modified strongly implicit method. The background gas flow is numerically treated separately, assuming in the model that there is no influence of the plasma on the flow. Indeed, the gas convection velocity is calculated using the commercial code Fluent and it is used as input into the 2D fluid model. The plasma characteristics have been studied in terms of gas flow rate, applied voltage amplitude and frequency, and geometrical effects. The electric currents as a function of time for a given applied potential have been obtained, as well as the number densities and fluxes of plasma species.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Times cited: 6
DOI: 10.1088/1742-6596/133/1/012023
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“Calculation of gas heating in a dc sputter magnetron”. Kolev I, Bogaerts A, Journal of applied physics 104, 093301 (2008). http://doi.org/10.1063/1.2970166
Abstract: The effect of gas heating in laboratory sputter magnetrons is investigated by means of numerical modeling. The model is two-dimensional in the coordinate space and three-dimensional in the velocity space based on the particle-in-cellMonte Carlo collisions technique. It is expanded in a way that allows the inclusion of the neutral plasma particles (fast gas atoms and sputtered atoms), which makes it possible to calculate the gas temperature and its influence on the discharge behavior in a completely self-consistent way. The results of the model are compared to experimental measurements and to other existing simulation results. The results show that gas heating is pressure dependent (rising with the increase in the gas pressure) and should be taken into consideration at pressures above 10 mTorr.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 2.068
Times cited: 19
DOI: 10.1063/1.2970166
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“New pathways for nanoparticle formation in acetylene dusty plasmas: a modelling investigation and comparison with experiments”. Mao M, Benedikt J, Consoli A, Bogaerts A, Journal of physics: D: applied physics 41 (2008). http://doi.org/10.1088/0022-3727/41/22/225201
Abstract: In this paper, the initial mechanisms of nanoparticle formation and growth in radiofrequency acetylene (C2H2) plasmas are investigated by means of a comprehensive self-consistent one-dimensional (1D) fluid model. This model is an extension of the 1D fluid model, developed earlier by De Bleecker et al. Based on the comparison of our previous results with available experimental data for acetylene plasmas in the literature, some new mechanisms for negative ion formation and growth are proposed. Possible routes are considered for the formation of larger (linear and branched) hydrocarbons C2nH2 (n = 3, 4, 5), which contribute to the generation of C2nH− anions (n = 3, 4, 5) due to dissociative electron attachment. Moreover, the vinylidene anion (H2CC−) and higher anions (n = 24) are found to be important plasma species.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 2.588
Times cited: 47
DOI: 10.1088/0022-3727/41/22/225201
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“Computer simulations of argon-hydrogen Grimm-type glow discharges”. Bogaerts A, Journal of analytical atomic spectrometry 23, 1476 (2008). http://doi.org/10.1039/b810599e
Abstract: Computer simulations have been performed to describe the effect of small admixtures of hydrogen to an argon glow discharge in the Grimm-type configuration. The two-dimensional density profiles of the various plasma species (i.e., electrons, Ar+, ArH+, H+, H2+ and H3+ ions, H atoms and H2 molecules, Ar metastable atoms and sputtered Cu atoms) are presented for 1% H2 added to the argon glow discharge, and the effect of different H2 additions (varying between 0.1 and 10%) on the species densities, the hydrogen dissociation degree, and the sputtering process, are investigated. Finally, the relative contributions of various production and loss processes for the different plasma species are calculated.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 3.379
Times cited: 23
DOI: 10.1039/b810599e
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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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“The effect of the magnetic field strength on the sheath region of a dc magnetron discharge”. Bultinck E, Bogaerts A, Journal of physics: D: applied physics 41, 202007 (2008). http://doi.org/10.1088/0022-3727/41/20/202007
Abstract: A 2d3v particle-in-cell/Monte Carlo collisions model was applied to study the influence of the magnetic field strength on the cathode sheath region of a direct current (dc) magnetron discharge. When applying a magnetic field of 520-730 G, the cathode sheath width decreases with magnetic field strength, whereas, if a stronger magnetic field is applied (i. e. from 730 to 2600 G), the sheath width increases. This is explained by studying the structure of the sheath in different magnetic field strengths in terms of the electron and ion densities. The consequences of sheath structure on the sputter deposition process are also investigated. It is found that the magnetic field strength can control the erosion profile and the sputter rate.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 2.588
Times cited: 16
DOI: 10.1088/0022-3727/41/20/202007
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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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“Atomic spectroscopy”. Bings NH, Bogaerts A, Broekaert JAC, Analytical chemistry 80, 4317 (2008). http://doi.org/10.1021/ac8006297
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 6.32
Times cited: 53
DOI: 10.1021/ac8006297
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“Double pulse laser ablation and laser induced breakdown spectroscopy: a modeling investigation”. Bogaerts A, Chen Z, Autrique D, Spectrochimica acta: part B : atomic spectroscopy 63, 746 (2008). http://doi.org/10.1016/j.sab.2008.04.005
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 3.241
Times cited: 56
DOI: 10.1016/j.sab.2008.04.005
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“Simulation of an Ar/Cl2 inductively coupled plasma: study of the effect of bias, power and pressure and comparison with experiments”. Tinck S, Boullart W, Bogaerts A, Journal of physics: D: applied physics 41, 065207 (2008). http://doi.org/10.1088/0022-3727/41/6/065207
Abstract: A hybrid model, called the hybrid plasma equipment model, was used to study Ar/Cl(2) inductively coupled plasmas used for the etching of Si. The effects of substrate bias, source power and gas pressure on the plasma characteristics and on the fluxes and energies of plasma species bombarding the substrate were observed. A comparison with experimentally measured etch rates was made to investigate how the etch process is influenced and which plasma species mainly account for the etch process. First, the general plasma characteristics are investigated at the following operating conditions: 10% Ar 90% Cl(2) gas mixture, 5mTorr total gas pressure, 100 sccm gas flow rate, 250W source power, -200V dc bias at the substrate electrode and an operating frequency of 13.56MHz applied to the coil and to the substrate electrode. Subsequently, the pressure is varied from 5 to 80mTorr, the substrate bias from -100 to -300V and the source power from 250 to 1000W. Increasing the total gas pressure results in a decrease of the etch rate and a less anisotropic flux to the substrate due to more collisions of the ions in the sheath. Increasing the substrate bias has an effect on the energy of the ions bombarding the substrate and to a lesser extent on the magnitude of the ion flux. When source power is increased, it was found that, not the energy, but the magnitude of the ion flux is increased. The etch rate was more influenced by a variation of the substrate bias than by a variation of the source power, at these operating conditions. These results suggest that the etch process is mainly affected by the energy of the ions bombarding the substrate and the magnitude of the ion flux, and to a lesser extent by the magnitude of the radical flux.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 2.588
Times cited: 31
DOI: 10.1088/0022-3727/41/6/065207
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“The dominant role of impurities in the composition of high pressure noble gas plasmas”. Martens T, Bogaerts A, Brok WJM, van Dijk J, Applied physics letters 92, 041504 (2008). http://doi.org/10.1063/1.2839613
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 3.411
Times cited: 115
DOI: 10.1063/1.2839613
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“The importance of an external circuit in a particle-in-cell/Monte Carlo collisions model for a direct current planar magnetron”. Bultinck E, Kolev I, Bogaerts A, Depla D, Journal of applied physics 103, 013309 (2008). http://doi.org/10.1063/1.2828155
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 2.068
Times cited: 29
DOI: 10.1063/1.2828155
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“On the reaction behaviour of hydrocarbon species at diamond (1 0 0) and (1 1 1) surfaces: a molecular dynamics investigation”. Eckert M, Neyts E, Bogaerts A, Journal of physics: D: applied physics 41, 032006 (2008). http://doi.org/10.1088/0022-3727/41/3/032006
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 2.588
Times cited: 17
DOI: 10.1088/0022-3727/41/3/032006
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