“Investigations of discharge and post-discharge in a gliding arc: a 3D computational study”. Sun SR, Kolev S, Wang HX, Bogaerts A, Plasma sources science and technology 26, 055017 (2017). http://doi.org/10.1088/1361-6595/aa670a
Abstract: In this study we quantitatively investigate for the first time the plasma characteristics of an argon gliding arc with a 3D model. The model is validated by comparison with available experimental data from literature and a reasonable agreement is obtained for the calculated gas temperature and electron density. A complete arc cycle is modeled from initial ignition to arc decay. We investigate how the plasma characteristics, i.e., the electron temperature, gas temperature,
reduced electric field, and the densities of electrons, Ar+ and Ar2+ ions and Ar(4s) excited states, vary over one complete arc cycle, including their behavior in the discharge and post-discharge. These plasma characteristics exhibit a different evolution over one arc cycle, indicating that either the active discharge stage or the post-discharge stage can be beneficial for certain applications.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 3.302
Times cited: 11
DOI: 10.1088/1361-6595/aa670a
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“Ionization and neutral gas heating efficiency in radio frequency electrothermal microthrusters : the role of driving frequency”. Leigh S, Doyle SJ, Smith GJ, Gibson AR, Boswell RW, Charles C, Dedrick JP, Physics of plasmas 31, 023509 (2024). http://doi.org/10.1063/5.0172646
Abstract: The development of compact, low power, charge-neutral propulsion sources is of significant recent interest due to the rising application of micro-scale satellite platforms. Among such sources, radio frequency (rf) electrothermal microthrusters present an attractive option due to their scalability, reliability, and tunable control of power coupling to the propellant. For micropropulsion applications, where available power is limited, it is of particular importance to understand how electrical power can be transferred to the propellant efficiently, a process that is underpinned by the plasma sheath dynamics. In this work, two-dimensional fluid/Monte Carlo simulations are employed to investigate the effects of applied voltage frequency on the electron, ion, and neutral heating in an rf capacitively coupled plasma microthruster operating in argon. Variations in the electron and argon ion densities and power deposition, and their consequent effect on neutral-gas heating, are investigated with relation to the phase-averaged and phase-resolved sheath dynamics for rf voltage frequencies of 6-108 MHz at 450 V. Driving voltage frequencies above 40.68 MHz exhibit enhanced volumetric ionization from bulk electrons at the expense of the ion heating efficiency. Lower driving voltage frequencies below 13.56 MHz exhibit more efficient ionization due to secondary electrons and an increasing fraction of rf power deposition into ions. Thermal efficiencies are improved by a factor of 2.5 at 6 MHz as compared to the more traditional 13.56 MHz, indicating a favorable operating regime for low power satellite applications.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 2.2
DOI: 10.1063/5.0172646
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“Kinetic modeling of relaxation phenomena after photodetachment in a rf electronegative SiH4 discharge”. Yan M, Bogaerts A, Gijbels R, Physical review : E : statistical physics, plasmas, fluids, and related interdisciplinary topics 63 (2001). http://doi.org/10.1103/PhysRevE.63.026405
Abstract: The global relaxation process after pulsed laser induced photodetachment in a rf electronegative SIH4 discharge is studied by a self-consistent kinetic one-dimensional particle-in-cell-Monte Carlo model. Our results reveal a comprehensive physical picture of the relaxation process, including the main plasma variables, after a perturbation up to the full recovery of the steady state. A strong influence of the photodetachment on the discharge is found, which results from an increase of the electron density, leading to a weaker bulk field, and hence to a drop in the high energy tail of the electron energy distribution function (EEDF), a reduction of the reaction rates of electron impact attachment and ionization, and a subsequent decrease of the positive and negative ion densities. All the plasma quantities related to electrons recover synchronously. The recovery time of the ion densities is about 1-2 orders of magnitude longer than that of the electrons due to different recovery mechanisms. The modeled behavior of all the charged particles agrees very well with experimental results from the literature. In addition, our work clarifies some unclear processes assumed in the literature, such as the relaxation of the EEDF, the evolution of the electric field, and the recovery of negative ions.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 2.366
Times cited: 4
DOI: 10.1103/PhysRevE.63.026405
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“Laser induced phase transition in iron thin films”. Teodorescu VS, Mihailescu IN, Dinescu M, Chitica N, Nistor LC, van Landuyt J, Barborica A, Journal de physique: 3: applied physics, materials science, fluids, plasma and instrumentation 4, 127 (1994). http://doi.org/10.1051/jp4:1994427
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Times cited: 2
DOI: 10.1051/jp4:1994427
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“Low-pressure inductively coupled plasmas in hydrogen : impact of gas heating on the spatial distribution of atomic hydrogen and vibrationally excited states”. Smith GJ, Diomede P, Gibson AR, Doyle SJ, Guerra V, Kushner MJ, Gans T, Dedrick JP, Plasma sources science and technology 33, 025002 (2024). http://doi.org/10.1088/1361-6595/AD1ECE
Abstract: Non-equilibrium inductively coupled plasmas (ICPs) operating in hydrogen are of significant interest for applications including large-area materials processing. Increasing control of spatial gas heating, which drives the formation of neutral species density gradients and the rate of gas-temperature-dependent reactions, is critical. In this study, we use 2D fluid-kinetic simulations with the Hybrid Plasma Equipment Model to investigate the spatially resolved production of atomic hydrogen in a low-pressure planar ICP operating in pure hydrogen (10-20 Pa or 0.075-0.15 Torr, 300 W). The reaction set incorporates self-consistent calculation of the spatially resolved gas temperature and 14 vibrationally excited states. We find that the formation of neutral-gas density gradients, which result from spatially non-uniform electrical power deposition at constant pressure, can drive significant variations in the vibrational distribution function and density of atomic hydrogen when gas heating is spatially resolved. This highlights the significance of spatial gas heating on the production of reactive species in relatively high-power-density plasma processing sources.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 3.8
DOI: 10.1088/1361-6595/AD1ECE
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“Low-Temperature Plasma for Biology, Hygiene, and Medicine: Perspective and Roadmap”. Laroussi M, Bekeschus S, Keidar M, Bogaerts A, Fridman A, Lu X, Ostrikov K, Hori M, Stapelmann K, Miller V, Reuter S, Laux C, Mesbah A, Walsh J, Jiang C, Thagard SM, Tanaka H, Liu D, Yan D, Yusupov M, IEEE transactions on radiation and plasma medical sciences 6, 127 (2022). http://doi.org/10.1109/TRPMS.2021.3135118
Abstract: Plasma, the fourth and most pervasive state of matter in the visible universe, is a fascinating medium that is connected to the beginning of our universe itself. Man-made plasmas are at the core of many technological advances that include the fabrication of semiconductor devices, which enabled the modern computer and communication revolutions. The introduction of low temperature, atmospheric pressure plasmas to the biomedical field has ushered a new revolution in the healthcare arena that promises to introduce plasma-based therapies to combat some thorny and long-standing medical challenges. This article presents an overview of where research is at today and discusses innovative concepts and approaches to overcome present challenges and take the field to the next level. It is written by a team of experts who took an in-depth look at the various applications of plasma in hygiene, decontamination, and medicine, made critical analysis, and proposed ideas and concepts that should help the research community focus their efforts on clear and practical steps necessary to keep the field advancing for decades to come.
Keywords: A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
DOI: 10.1109/TRPMS.2021.3135118
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“Magnetic field dependence of the normal mode spectrum of a planar complex plasma cluster”. Kong M, Ferreira WP, Partoens B, Peeters FM, IEEE transactions on plasma science 32, 569 (2004). http://doi.org/10.1109/TPS.2004.826084
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 1.052
Times cited: 4
DOI: 10.1109/TPS.2004.826084
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“Mécanismes de la non-stoechiométrie dans les nouveaux supraconducteurs à, haute Tc”. Hervieu M, Michel C, Martin C, Huvé, M, Van Tendeloo G, Maignan A, Pelloquin D, Goutenoire F, Raveau B, Journal de physique: 3: applied physics, materials science, fluids, plasma and instrumentation 4, 2057 (1994)
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
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“Melting transitions in isotropically confined three-dimensional small Coulomb clusters”. Apolinario SWS, Peeters FM, Physical review : E : statistical physics, plasmas, fluids, and related interdisciplinary topics 76, 031107 (2007). http://doi.org/10.1103/PhysRevE.76.031107
Abstract: Molecular dynamic simulations are performed to investigate the melting process of small three-dimensional clusters (i.e., systems with one and two shells) of classical charged particles trapped in an isotropic parabolic potential. The confined particles interact through a repulsive potential. We find that the ground-state configurations for systems with N=6, 12, 13, and 38 particles interacting through a Coulomb potential are magic clusters. Such magic clusters have an octahedral or icosahedral symmetry and are found to have a large stability against intrashell diffusion leading to an intershell melting transition prior to the intrashell and radial melting process. For systems with two shells a local radial melting of subshells is found at low temperatures resulting in a structural transition leading to an increased symmetry of the ordered system. Using Lindemanns criterion the different melting temperatures are determined and the influence of the screening of the interparticle interaction was investigated. A normal mode analysis is performed and some of the normal modes are found to be determinantal for the melting process.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 2.366
Times cited: 28
DOI: 10.1103/PhysRevE.76.031107
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“Modeling a Langmuir probe in atmospheric pressure plasma at different EEDFs”. Trenchev G, Kolev S, Kiss’ovski Z, Plasma sources science and technology 26, 055013 (2017). http://doi.org/10.1088/1361-6595/aa63c2
Abstract: In this study, we present a computational model of a cylindrical electric probe in atmospheric pressure argon plasma. The plasma properties are varied in terms of density and electron temperature. Furthermore, results for plasmas with Maxwellian and non-Maxwellian electron energy distribution functions are also obtained and compared. The model is based on the fluid description of plasma within the COMSOL software package. The results for the ion saturation current are compared and show good agreement with existing analytical Langmuir probe theories. A strong dependence between the ion saturation current and electron transport properties was observed, and attributed to the effects of ambipolar diffusion.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 3.302
Times cited: 4
DOI: 10.1088/1361-6595/aa63c2
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“Modeling and experimental study of trichloroethylene abatement with a negative direct current corona discharge”. Vandenbroucke AM, Aerts R, Van Gaens W, De Geyter N, Leys C, Morent R, Bogaerts A, Plasma chemistry and plasma processing 35, 217 (2015). http://doi.org/10.1007/s11090-014-9584-7
Abstract: In this work, we study the abatement of dilute trichloroethylene (TCE) in air with a negative direct current corona discharge. A numerical model is used to theoretically investigate the underlying plasma chemistry for the removal of TCE, and a reaction pathway for the abatement of TCE is proposed. The Cl atom, mainly produced by dissociation of COCl, is one of the controlling species in the TCE destruction chemistry and contributes to the production of chlorine containing by-products. The effect of humidity on the removal efficiency is studied and a good agreement is found between experiments and the model for both dry (5 % relative humidity (RH)) and humid air (50 % RH). An increase of the relative humidity from 5 % to 50 % has a negative effect on the removal efficiency, decreasing by ±15 % in humid air. The main loss reactions for TCE are with ClO·, O· and CHCl2. Finally, the by-products and energy cost of TCE abatement are discussed.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 2.355
Times cited: 9
DOI: 10.1007/s11090-014-9584-7
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“Modeling Cl2/O2/Ar inductively coupled plasmas used for silicon etching : effects of SiO2 chamber wall coating”. Tinck S, Boullart W, Bogaerts A, Plasma sources science and technology 20, 045012 (2011). http://doi.org/10.1088/0963-0252/20/4/045012
Abstract: In this paper, simulations are performed to gain a better insight into the properties of a Cl2/Ar plasma, with and without O2, during plasma etching of Si. Both plasma and surface properties are calculated in a self-consistent manner. Special attention is paid to the behavior of etch products coming from the wafer or the walls, and how the chamber walls can affect the plasma and the resulting etch process. Two modeling cases are considered. In the first case, the reactor walls are defined as clean (Al2O3), whereas in the second case a SiO2 coating is introduced on the reactor walls before the etching process, so that oxygen will be sputtered from the walls and introduced into the plasma. For this reason, a detailed reaction set is presented for a Cl2/O2/Ar plasma containing etched species, as well as an extensive reaction set for surface processes, including physical and chemical sputtering, chemical etching and deposition processes. Density and flux profiles of various species are presented for a better understanding of the bulk plasma during the etching process. Detailed information is also given on the composition of the surfaces at various locations of the reactor, on the etch products in the plasma and on the surface loss probabilities of the plasma species at the walls, with different compositions. It is found that in the clean chamber, walls are mostly chlorinated (Al2Cl3), with a thin layer of etch products residing on the wall. In the coated chamber, an oxy-chloride layer is grown on the walls for a few nanometers during the etching process. The Cl atom wall loss probability is found to decrease significantly in the coated chamber, hence increasing the etch rate. SiCl2, SiCl4 and SiCl3 are found to be the main etch products in the plasma, with the fraction of SiCl2 being always slightly higher. The simulation results compare well with experimental data available from the literature.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 3.302
Times cited: 22
DOI: 10.1088/0963-0252/20/4/045012
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“Modeling for a Better Understanding of Plasma-Based CO2 Conversion”. Bogaerts A, Snoeckx R, Trenchev G, Wang W In: Britun N, Silva T (eds) Plasma Chemistry and Gas Conversion. IntechOpen, Rijeka (2018).
Abstract: This chapter discusses modeling efforts for plasma-based CO2 conversion, which are needed to obtain better insight in the underlying mechanisms, in order to improve this application. We will discuss two types of (complementary) modeling efforts that are most relevant, that is, (i) modeling of the detailed plasma chemistry by zero-dimensional (0D) chemical kinetic models and (ii) modeling of reactor design, by 2D or 3D fluid dynamics models. By showing some characteristic calculation results of both models, for CO2 splitting and in combination with a H-source, and for packed bed DBD and gliding arc plasma, we can illustrate the type of information they can provide.
Keywords: H1 Book Chapter; Plasma, laser ablation and surface modeling Antwerp (PLASMANT) ;
DOI: 10.5772/intechopen.80436
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“Modeling of CO2plasma: effect of uncertainties in the plasma chemistry”. Berthelot A, Bogaerts A, Plasma sources science and technology 26, 115002 (2017). http://doi.org/10.1088/1361-6595/aa8ffb
Abstract: Low-temperature plasma chemical kinetic models are particularly important to the plasma community. These models typically require dozens of inputs, especially rate coefficients. The latter are not always precisely known and it is not surprising that the error on the rate coefficient data can propagate to the model output. In this paper, we present a model that uses N = 400 different combinations of rate coefficients based on the uncertainty attributed to each rate coefficient, giving a good estimation of the uncertainty on the model output due to the rate coefficients. We demonstrate that the uncertainty varies a lot with the conditions and the type of output. Relatively low uncertainties (about 15%) are found for electron density and temperature, while the uncertainty can reach more than an order of magnitude for the population of the vibrational levels in some cases and it can rise up to 100% for the CO2 conversion. The reactions that are mostly responsible for the largest uncertainties are identified. We show that the conditions of pressure, gas temperature and power density have a great effect on the uncertainty and on which reactions lead to this uncertainty. In all the cases tested here, while the absolute values may suffer from large uncertainties, the trends observed in previous modeling work are still valid. Finally, in accordance with the work of Turner, a number of ‘good practices’ is recommended.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 3.302
Times cited: 16
DOI: 10.1088/1361-6595/aa8ffb
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“Modeling of plasma-based CO2conversion: lumping of the vibrational levels”. Berthelot A, Bogaerts A, Plasma sources science and technology 25, 045022 (2016). http://doi.org/10.1088/0963-0252/25/4/045022
Abstract: Although CO2 conversion by plasma technology is gaining increasing interest, the
underlying mechanisms for an energy-efficient process are still far from understood. In this work, a reduced non-equilibrium CO2 plasma chemistry set, based on level lumping of the vibrational levels, is proposed and the reliability of this level-lumping method is tested by a self-consistent zero-dimensional code. A severe reduction of the number of equations to be solved is achieved, which is crucial to be able to model non-equilibrium CO2 plasmas by 2-dimensional models. Typical conditions of pressure and power used in a microwave plasma for CO2 conversion are investigated. Several different sets, using different numbers of lumped groups, are considered. The lumped models with 1, 2 or 3 groups are able to reproduce the gas temperature, electron density and electron temperature profiles, as calculated by the full model treating all individual excited levels, in the entire pressure range investigated. Furthermore, a 3-groups model is also able to reproduce the shape of the vibrational distribution function (VDF) and gives the most reliable prediction of the CO2 conversion. A strong influence of the vibrational excitation on the plasma characteristics is observed. Finally, the limitations of the lumped-levels method are discussed.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 3.302
Times cited: 33
DOI: 10.1088/0963-0252/25/4/045022
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“Modeling of the formation and transport of nanoparticles in silane plasmas”. de Bleecker K, Bogaerts A, Goedheer W, Physical review : E : statistical physics, plasmas, fluids, and related interdisciplinary topics 70, 056407 (2004). http://doi.org/10.1103/PhysRevE.70.056407
Abstract: The behavior of nanoparticles in a low-pressure silane discharge is studied with the use of a self-consistent one-dimensional fluid model. Nanoparticles of a given (prescribed) radius are formed in the discharge by the incorporation of a dust growth mechanism, i.e., by including a step in which large anions (typically Si12H−25), produced in successive chemical reactions of anions with silane molecules, are transformed into particles. Typically a few thousand anions are used for one nanoparticle. The resulting particle density and the charge on the particles are calculated with an iterative method. While the spatial distribution and the charge of the particles are influenced by the plasma, the presence of the nanoparticles will in turn influence the plasma properties. Several simulations with different particle radii are performed. The resulting density profile of the dust will greatly depend on the particle size, as it reacts to the shift of the balance of the different forces acting on the particles.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 2.366
Times cited: 31
DOI: 10.1103/PhysRevE.70.056407
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“Modeling plasma-based CO2conversion: crucial role of the dissociation cross section”. Bogaerts A, Wang W, Berthelot A, Guerra V, Plasma sources science and technology 25, 055016 (2016). http://doi.org/10.1088/0963-0252/25/5/055016
Abstract: Plasma-based CO2 conversion is gaining increasing interest worldwide. A large research effort is devoted to improving the energy efficiency. For this purpose, it is very important to understand the underlying mechanisms of the CO2 conversion. The latter can be obtained by computer modeling, describing in detail the behavior of the various plasma species and all relevant chemical processes. However, the accuracy of the modeling results critically depends on the accuracy of the assumed input data, like cross sections. This is especially true for the cross section of electron impact dissociation, as the latter process is believed
to proceed through electron impact excitation, but it is not clear from the literature which excitation channels effectively lead to dissociation. Therefore, the present paper discusses the effect of different electron impact dissociation cross sections reported in the literature on the calculated CO2 conversion, for a dielectric barrier discharge (DBD) and a microwave (MW) plasma. Comparison is made to experimental data for the DBD case, to elucidate which cross section might be the most realistic. This comparison reveals that the cross sections proposed
by Itikawa and by Polak and Slovetsky both seem to underestimate the CO2 conversion. The cross sections recommended by Phelps with thresholds of 7 eV and 10.5 eV yield a CO2 conversion only slightly lower than the experimental data, but the sum of both cross sections overestimates the values, indicating that these cross sections represent dissociation, but most probably also include other (pure excitation) channels. Our calculations indicate that the choice of the electron impact dissociation cross section is crucial for the DBD, where this process is the dominant mechanism for CO2 conversion. In the MW plasma, it is only significant at pressures up to 100 mbar, while it is of minor importance for higher pressures, when dissociation proceeds mainly through collisions of CO2 with heavy particles.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 3.302
Times cited: 57
DOI: 10.1088/0963-0252/25/5/055016
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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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“Modelling the dynamics of hydrogen synthesis from methane in nanosecond‐pulsed plasmas”. Morais E, Bogaerts A, Plasma processes and polymers 21 (2024). http://doi.org/10.1002/ppap.202300149
Abstract: A chemical kinetics model was developed to characterise the gas‐phase dynamics of H<sub>2</sub>production in nanosecond‐pulsed CH<sub>4</sub>plasmas. Pulsed behaviour was observed in the calculated electric field, electron temperature and species densities at all pressures. The model agrees reasonably with experimental results, showing CH<sub>4</sub>conversion at 30% and C<sub>2</sub>H<sub>2</sub>and H<sub>2</sub>as major products. The underlying mechanisms in CH<sub>4</sub>dissociation and H<sub>2</sub>formation were analysed, highlighting the large contribution of vibrationally excited CH<sub>4</sub>and H<sub>2</sub>to coupling energy from the plasma into gas‐phase heating, and revealing that H<sub>2</sub>synthesis is not affected by applied pressure, with selectivity remaining unchanged at ~42% in the 1–5 bar range.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 3.5
DOI: 10.1002/ppap.202300149
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“Molecular Dynamics Simulations for Plasma-Surface Interactions: Molecular Dynamics Simulations…”. Neyts EC, Brault P, Plasma processes and polymers 14, 1600145 (2017). http://doi.org/10.1002/ppap.201600145
Abstract: Plasma-surface interactions are in general highly complex due to the interplay of many concurrent processes. Molecular dynamics simulations provide insight in some of these processes, subject to the accessible time and length scales, and the availability of suitable force fields. In this introductory tutorial-style review, we aim to describe the current capabilities and limitations of molecular dynamics simulations in this field, restricting ourselves to low-temperature nonthermal plasmas. Attention is paid to the simulation of the various fundamental processes occurring, including sputtering, etching, implantation, and deposition, as well as to what extent the basic plasma components can be accounted for, including ground state and excited species, electric fields, ions, photons, and electrons. A number of examples is provided, giving an bird’s eye overview of the current state of the field.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 2.846
Times cited: 13
DOI: 10.1002/ppap.201600145
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“Molecular understanding of the possible mechanisms of oligosaccharide oxidation by cold plasma”. Yusupov M, Dewaele D, Attri P, Khalilov U, Sobott F, Bogaerts A, Plasma processes and polymers (2022). http://doi.org/10.1002/ppap.202200137
Abstract: Cold atmospheric plasma (CAP) is a promising technology for several medical applications, including the removal of biofilms from surfaces. However, the molecular mechanisms of CAP treatment are still poorly understood. Here we unravel the possible mechanisms of CAP‐induced oxidation of oligosaccharides, employing reactive molecular dynamics simulations based on the density functional‐tight binding potential. Specifically, we find that the interaction of oxygen atoms (used as CAP‐generated reactive species) with cellotriose (a model system for the oligosaccharides) can break structurally important glycosidic bonds, which subsequently leads to the disruption of the oligosaccharide molecule. The overall results help to shed light on our experimental evidence for cellotriose CAP. This oxidation by study provides atomic‐level insight into the onset of plasma‐induced removal of biofilms, as oligosaccharides are one of the main components of biofilm.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 3.5
DOI: 10.1002/ppap.202200137
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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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“Multi-dimensional modelling of a magnetically stabilized gliding arc plasma in argon and CO2”. Zhang H, Zhang H, Trenchev G, Li X, Wu Y, Bogaerts A, Plasma Sources Science &, Technology 29, 045019 (2020). http://doi.org/10.1088/1361-6595/ab7cbd
Abstract: This study focuses on a magnetically stabilized gliding arc (MGA) plasma. Two fully coupled flow-plasma models (in 3D and 2D) are presented. The 3D model is applied to compare the arc dynamics of the MGA with a traditional gas-driven gliding arc. The 2D model is used for a detailed parametric study on the effect of the external magnetic field. The results show that the relative velocity between the plasma and feed gas is generated due to the Lorentz force, which can increase the plasma-treated gas fraction. The magnetic field also helps to decrease the gas temperature by enhancing heat transfer and to increase the electron number density. This work shows the potential of an external magnetic field to control the gliding arc behavior, for enhanced gas conversion at low gas flow rates.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 3.8
DOI: 10.1088/1361-6595/ab7cbd
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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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“Multistep radial melting in small two-dimensional classical clusters”. Tomecka D, Partoens B, Peeters FM, Physical review : E : statistical physics, plasmas, fluids, and related interdisciplinary topics 71, 062401 (2005). http://doi.org/10.1103/PhysRevE.71.062401
Abstract: We report on a molecular dynamics study of small classical two-dimensional clusters with ringlike configurations. We focus on the particles motion at low temperatures before the radial and angular melting sets in. It is shown that in magic number configurations a local radial melting of subshells occur, which is related to the intershell rotation.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 2.366
Times cited: 11
DOI: 10.1103/PhysRevE.71.062401
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“Nanosecond-pulsed dielectric barrier dischargeinduced antitumor effects propagate through depth of tissue via intracellular signaling”. Ranieri P, Shrivastav R, Wang M, Lin A, Fridman G, Fridman AA, Han L-H, Miller V, Plasma medicine 7, 283 (2017). http://doi.org/10.1615/PLASMAMED.2017019883
Abstract: Studies using xenograft mouse models have shown that plasma applied to the skin overlying tumors results in tumor shrinkage. Plasma is considered a nonpenetrating treatment; however, these studies demonstrate plasma effects that occur beyond the postulated depth of physical penetration of plasma components. The present study examines the propagation of plasma effects through a tissue model using three-dimensional, cell-laden extracellular matrices (ECMs). These ECMs are used as barriers against direct plasma penetration. By placing them onto a monolayer of target cancer cells to create an in-vitro analog to in-vivo studies, we distinguished between cellular effects from direct plasma exposure and cellular effects due to cell-to-cell signaling stimulated by plasma. We show that nanosecond-pulsed dielectric barrier discharge plasma treatment applied atop an acellular barrier impedes the externalization of calreticulin (CRT) in the target cells. In contrast, when a barrier is populated with cells, CRT externalization is restored. Thus, we demonstrate that plasma components stimulate signaling among cells embedded in the barrier to transfer plasma effects to the target cells.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
DOI: 10.1615/PLASMAMED.2017019883
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“Negative ion behavior in single- and dual-frequency plasma etching reactors: particle-in-cell/Monte Carlo collision study”. Georgieva V, Bogaerts A, Physical review : E : statistical physics, plasmas, fluids, and related interdisciplinary topics 73, 036402 (2006). http://doi.org/10.1103/PhysRevE.73.036402
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 2.366
Times cited: 7
DOI: 10.1103/PhysRevE.73.036402
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Bahnamiri OS, Verheyen C, Snyders R, Bogaerts A, Britun N (2021) Nitrogen fixation in pulsed microwave discharge studied by infrared absorption combined with modelling. 065007
Abstract: A pulsed microwave surfaguide discharge operating at 2.45 GHz was used for the conversion of molecular nitrogen into valuable compounds in several gas mixtures: N2 :O2 , N2 :O2 :CO2 and N2 :CO2 . The ro-vibrational absorption bands of the molecular species were monitored by a Fourier transform infrared apparatus in the post-discharge region in order to evaluate the relative number density of species, specifically NO production. The effects of specific energy input, pulse frequency, gas flow fraction, gas admixture and gas flow rate were studied for better understanding and optimization of the NO production yield and the corresponding energy cost (EC). By both the experiment and modelling, a highest NO yield is obtained at N2 :O2 (1:1) gas ratio in N2 :O2 mixture. The NO yield reveals a small growth followed by saturation when pulse repetition frequency increases. The energy efficiency start decreasing after the energy input reaches about 5 eV/molec, whereas the NO yield rises steadily at the same time. The lowest EC of about 8 MJ mol−1 corresponding to the yield and the energy efficiency of about 7% and 1% are found, respectively, in an optimum discharge condition in our case.
Keywords: A1 Journal Article;nitrogen fixation; pulsed microwave discharge; FTIR spectroscopy; discharge modelling; vibrational excitation; NO yield; energy cost; Plasma, laser ablation and surface modeling Antwerp (PLASMANT) ;
Impact Factor: 3.302
DOI: 10.1088/1361-6595/abff0e
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“Nonlinear screening in large two-dimensional Coulomb clusters”. Kong M, Vagov A, Partoens B, Peeters FM, Ferreira WP, Farias GA, Physical review : E : statistical physics, plasmas, fluids, and related interdisciplinary topics 70, 051807 (2004). http://doi.org/10.1103/PhysRevE.70.051807
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 2.366
Times cited: 4
DOI: 10.1103/PhysRevE.70.051807
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“Nontarget biomolecules alter macromolecular changes induced by bactericidal low-temperature plasma”. Privat-Maldonado A, Gorbanev Y, O'Connell D, Vann R, Chechik V, van der Woude MW, IEEE transactions on radiation and plasma medical sciences 2, 121 (2018). http://doi.org/10.1109/TRPMS.2017.2761405
Abstract: Low-temperature plasmas (LTPs) have a proven bactericidal activity governed by the generated reactive oxygen and nitrogen species (RONS) that target microbial cell components. However, RONS also interact with biomolecules in the environment. Here we assess the impact of these interactions upon exposure of liquid suspensions with variable organic content to an atmospheric-pressure dielectric barrier discharge plasma jet. Salmonella enterica serovar Typhimurium viability in the suspension was reduced in the absence [e. g., phosphate buffered saline (PBS)], but not in the presence of (high) organic content [Dulbecco's Modified Eagle's Medium (DMEM), DMEM supplemented with foetal calf serum, and Lysogeny Broth]. The reduced viability of LTP-treated bacteria in PBS correlated to a loss of membrane integrity, whereas double-strand DNA breaks could not be detected in treated single cells. The lack of bactericidal activity in solutions with high organic content correlated with a relative decrease of center dot OH and O-3/O-2(a(1)Delta g)/O, and an increase of H2O2 and NO2- in the plasma-treated solutions. These results indicate that the redox reactions of LTP-generated RONS with nontarget biomolecules resulted in a RONS composition with reduced bactericidal activity. Therefore, the chemical composition of the bacterial environment should be considered in the development of LTP for antimicrobial treatment, and may affect other biomedical applications as well.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
DOI: 10.1109/TRPMS.2017.2761405
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