“Particle-in-cell/Monte Carlo collisions model for the reactive sputter deposition of nitride layers”. Bultinck E, Mahieu S, Depla D, Bogaerts A, Plasma processes and polymers 6, S784 (2009). http://doi.org/10.1002/ppap.200931904
Abstract: A 2d3v Particle-in-cell/Monte Carlo collisions (PIC/MCC) model was constructed for an Ar/N2 reactive gas mixture in a magnetron discharge. A titanium target was used, in order to study the sputter deposition of a TiNx thin film. Cathode currents and voltages were calculated self-consistently and compared with experiments. Also, ion fluxes to the cathode were calculated, which cause sputtering of the target. The sputtered atom fluxes from the target, and to the substrate were calculated, in order to visualize the deposition of the TiNx film.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 2.846
Times cited: 2
DOI: 10.1002/ppap.200931904
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“Special issue on numerical modelling of low-temperature plasmas for various applications –, part II: Research papers on numerical modelling for various plasma applications”. Bogaerts A, Alves LL, Plasma processes and polymers 14, 1790041 (2017). http://doi.org/10.1002/ppap.201790041
Keywords: Editorial; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 2.846
Times cited: 2
DOI: 10.1002/ppap.201790041
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“Effect of electric fields on plasma catalytic hydrocarbon oxidation from atomistic simulations”. Neyts EC, Bal KM, Plasma processes and polymers 14, e1600158 (2017). http://doi.org/10.1002/PPAP.201600158
Abstract: The catalytic oxidative dehydrogenation of hydrocarbons is an industrially important process, in which selectivity is a key issue. We here investigate the conversion of methanol to formaldehyde on a vanadia surface employing long timescale simulations, reaching a time scale of seconds. In particular, we compare the thermal process to the case where an additional external electric field is applied, as would be the case in a direct plasma-catalysis setup. We find that the electric field influences the retention time of the molecules at the catalyst surface. These simulations provide an atomic scale insight in the thermal catalytic oxidative dehydrogenation process, and in how an external electric field may affect this process.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 2.846
Times cited: 2
DOI: 10.1002/PPAP.201600158
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“Formation of a nanoscale SiO2 capping layer on photoresist lines with an Ar/SiCl4/O2 inductively coupled plasma : a modeling investigation”. Tinck S, Altamirano-Sánchez E, De Schepper P, Bogaerts A, Plasma processes and polymers 11, 52 (2014). http://doi.org/10.1002/ppap.201300062
Abstract: PECVD of a nanoscale SiO2 capping layer using low pressure SiCl4/O-2/Ar plasmas is numerically investigated. The purpose of this capping layer is to restore photoresist profiles with improved line edge roughness. A 2D plasma and Monte Carlo feature profile model are applied for this purpose. The deposited films are calculated for various operating conditions to obtain a layer with desired shape. An increase in pressure results in more isotropic deposition with a higher deposition rate, while a higher power creates a more anisotropic process. Dilution of the gas mixture with Ar does not result in an identical capping layer shape with a thickness linearly correlated to the dilution. Finally, a substrate bias seems to allow proper control of the vertical deposition rate versus sidewall deposition as desired.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 2.846
Times cited: 1
DOI: 10.1002/ppap.201300062
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“Plasma processes and polymers third special issue on plasma and cancer”. Laroussi M, Bogaerts A, Barekzi N, Plasma processes and polymers 13, 1142 (2016). http://doi.org/10.1002/ppap.201600193
Keywords: Editorial; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 2.846
Times cited: 1
DOI: 10.1002/ppap.201600193
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“Pressure as an additional control handle for non-thermal atmospheric plasma processes”. Belov I, Paulussen S, Bogaerts A, Plasma processes and polymers 14, 1700046 (2017). http://doi.org/10.1002/ppap.201700046
Abstract: above atmospheric) pressure regimes (1–3.5 bar). It was demonstrated that these operational conditions significantly influence both the discharge dynamics and the process efficiencies of O2 and CO2 discharges. For the case of the O2 DBD, the pressure rise results in the amplification of the discharge current, the appearance of emission lines of the metal electrode material (Fe, Cr, Ni) in the optical emission spectrum and the formation of a granular film of the erosion products (10–300 nm iron oxide nanoparticles) on the reactor walls. Somewhat similar behavior was observed also for the CO2 DBD. The discharge current, the relative intensity of the CO Angstrom band measured by Optical Emission Spectroscopy (OES) and the CO2 conversion rates could be stimulated to some extent by the rise in pressure. The optimal conditions for the O2 DBD (P = 2 bar) and the CO2 DBD (P = 1.5 bar) are demonstrated. It can be argued that the dynamics of the microdischarges (MD) define the underlying process of this behavior. It could be
demonstrated that the pressure increase stimulates the formation of more intensive but fewer MDs. In this way, the operating pressure can represent an additional tool to manipulate the properties of the MDs in a DBD, and as a result also the discharge performance.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 2.846
Times cited: 1
DOI: 10.1002/ppap.201700046
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“Special issue: Plasma Conversion”. Nozaki T, Bogaerts A, Tu X, Sanden R, Plasma processes and polymers 14, 1790061 (2017). http://doi.org/10.1002/ppap.201790061
Keywords: Editorial; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 2.846
DOI: 10.1002/ppap.201790061
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“Concurrent effects of wafer temperature and oxygen fraction on cryogenic silicon etching with SF6/O2plasmas”. Tinck S, Tillocher T, Georgieva V, Dussart R, Neyts E, Bogaerts A, Plasma processes and polymers 14, 1700018 (2017). http://doi.org/10.1002/ppap.201700018
Abstract: Cryogenic plasma etching is a promising technique for high-control wafer development with limited plasma induced damage. Cryogenic wafer temperatures effectively reduce surface damage during etching, but the fundamental mechanism is not well understood. In this study, the influences of wafer temperature, gas mixture and substrate bias on the (cryogenic) etch rates of Si with SF6/O2 inductively coupled plasmas are experimentally and computationally investigated. The etch rates are measured in situ with double-point reflectometry and a hybrid computational Monte Carlo – fluid model is applied to calculate plasma properties. This work allows the reader to obtain a better insight in the effects of wafer temperature on the etch rate and to find operating conditions for successful anisotropic (cryo)etching.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 2.846
DOI: 10.1002/ppap.201700018
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“Ceramide cross-linking leads to pore formation: Potential mechanism behind CAP enhancement of transdermal drug delivery”. Van der Paal J, Fridman G, Bogaerts A, Plasma processes and polymers 16, 1900122 (2019). http://doi.org/10.1002/PPAP.201900122
Abstract: In recent years, cold atmospheric plasma (CAP) has been proposed as a novel method to enhance transdermal drug delivery, while avoiding tissue damage. However, the underlying mechanism for the increasing skin permeability upon CAP treatment is still undefined. We propose a mechanism in which CAP-generated reactive species induce cross-linking of skin lipids, leading to the generation of nanopores, thereby facilitating the permeation of drug molecules. Molecular dynamics simulations support this proposed mechanism. Furthermore, our results indicate that to achieve maximum enhancement of the permeability, the optimal treatment will depend on the exact lipid composition of the skin, as well as on the CAP source used.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 2.846
DOI: 10.1002/PPAP.201900122
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“The penetration of reactive oxygen and nitrogen species across the stratum corneum”. Duan J, Ma M, Yusupov M, Cordeiro RM, Lu X, Bogaerts A, Plasma Processes And Polymers (2020). http://doi.org/10.1002/ppap.202000005
Abstract: The penetration of reactive oxygen and nitrogen species (RONS) across the stratum corneum (SC) is a necessary and crucial process in many skin‐related plasma medical applications. To gain more insights into this penetration behavior, we combined experimental measurements of the permeability of dry and moist SC layers with computer simulations of model lipid membranes. We measured the permeation of relatively stable molecules, which are typically generated by plasma, namely H2O2, NO3−, and NO2−. Furthermore, we calculated the permeation free energy profiles of the major plasma‐generated RONS and their derivatives (i.e., H2O2, OH, HO2, O2, O3, NO, NO2, N2O4, HNO2, HNO3, NO2−, and NO3−) across native and oxidized SC lipid bilayers, to understand the mechanisms of RONS permeation across the SC. Our results indicate that hydrophobic RONS (i.e., NO, NO2, O2, O3, and N2O4) can translocate more easily across the SC lipid bilayer than hydrophilic RONS (i.e., H2O2, OH, HO2, HNO2, and HNO3) and ions (i.e., NO2− and NO3−) that experience much higher permeation barriers. The permeability of RONS through the SC skin lipids is enhanced when the skin is moist and the lipids are oxidized. These findings may help to understand the underlying mechanisms of plasma interaction with a biomaterial and to optimize the environmental parameters in practice in plasma medical applications.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 3.5
DOI: 10.1002/ppap.202000005
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“Positive and negative streamer propagation in volume dielectric barrier discharges with planar and porous electrodes”. Zhang Q‐Z, Zhang L, Yang D‐Z, Schulze J, Wang Y‐N, Bogaerts A, Plasma Processes And Polymers 18, 2000234 (2021). http://doi.org/10.1002/ppap.202000234
Abstract: The spatiotemporal dynamics of volume and surface positive and negative streamers in a pintoplate volume dielectric barrier discharge is investigated in this study. The discharge characteristics are found to be completely different for positive and negative streamers. First, the spatial propagation of a positive streamer is found to rely on electron avalanches caused by photo-electrons in front of the streamer head, whereas this is not the case for negative streamers. Second, our simulations reveal an interesting phenomenon of floating positive surface discharges, which develop when a positive streamer reaches a dielectric wall and which explain the experimentally observed branching characteristics. Third, we report for the first time, the interactions between a positive streamer and dielectric pores, in which both the pore diameter and depth affect the evolution of a positive streamer.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 2.846
DOI: 10.1002/ppap.202000234
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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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“Toward defining plasma treatment dose : the role of plasma treatment energy of pulsed‐dielectric barrier discharge in dictating in vitro biological responses”. Lin A, Biscop E, Gorbanev Y, Smits E, Bogaerts A, Plasma Processes And Polymers 19, e2100151 (2022). http://doi.org/10.1002/PPAP.202100151
Abstract: The energy dependence of a pulsed-dielectric barrier discharge (DBD) plasma treatment on chemical species production and biological responses was investigated. We hypothesized that the total plasma energy delivered during treatment encompasses the influence of major application parameters. A microsecond-pulsed DBD system was used to treat three different cancer cell lines and cell viability was analyzed. The energy per pulse was measured and the total plasma treatment energy was controlled by adjusting the pulse frequency, treatment time, and application distance. Our data suggest that the delivered plasma energy plays a predominant role in stimulating a biological response in vitro. This study aids in developing steps toward defining a plasma treatment unit and treatment dose for biomedical and clinical research.
Keywords: A1 Journal article; Pharmacology. Therapy; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 3.5
DOI: 10.1002/PPAP.202100151
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