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“Parametric study by means of numerical modelling for a dielectric barrier discharge at atmospheric pressure in nitrogen”. Madani M, Bogaerts A, Gijbels R, Vangeneugden D, , 49 (2004)
Keywords: P3 Proceeding; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
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“Parametrization and Molecular Dynamics Simulations of Nitrogen Oxyanions and Oxyacids for Applications in Atmospheric and Biomolecular Sciences”. Cordeiro RM, Yusupov M, Razzokov J, Bogaerts A, Journal Of Physical Chemistry B 124, 1082 (2020). http://doi.org/10.1021/acs.jpcb.9b08172
Abstract: Nitrogen oxyanions and oxyacids are important agents in atmospheric chemistry and medical biology. Although their chemical behavior in solution is relatively well understood, they may behave very differently at the water/air interface of atmospheric aerosols or at the membrane/water interface of cells. Here, we developed a fully classical model for molecular dynamics simulations of NO3−, NO2−, HNO3, and HNO2 in the framework of the GROMOS 53A6 and 54A7 force field versions. The model successfully accounted for the poorly structured solvation shell and ion pairing tendency of NO3−. Accurate pure-liquid properties and hydration free energies were obtained for the oxyacids. Simulations at the water/air interface showed a local enrichment of HNO3 and depletion of NO3−. The effect was discussed in light of earlier spectroscopic data and ab initio calculations, suggesting that HNO3 behaves as a weaker acid at the surface of water. Our model will hopefully allow for efficient and accurate simulations of nitrogen oxyanions and oxyacids in solution and at microheterogeneous interface environments.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 3.3
DOI: 10.1021/acs.jpcb.9b08172
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“Particle transport through an inductively coupled plasma torch: elemental droplet evaporation”. Aghaei M, Bogaerts A, Journal of analytical atomic spectrometry 31, 631 (2016). http://doi.org/10.1039/C5JA00162E
Abstract: We studied the transport of copper droplets through an inductively coupled plasma, connected to the sampling cone of a mass spectrometer, by means of a computational model. The sample droplets are followed until they become evaporated. They are inserted as liquid particles from the central inlet and the effects of injection position (i.e. “on” and “off” axis), droplet diameter, as well as mass loading flow rate are investigated. It is shown that more “on-axis” injection of the droplets leads to a more straight path line, so that the droplets move less in the radial direction and are evaporated more on the central axis, enabling a better sample transfer efficiency to the sampler cone. Furthermore, there are optimum ranges of diameters and flow rates, which guarantee the proper position of evaporation along the torch, i.e. not too early, so that the sample can get lost in the torch, and not too late, which reduces the chance of becoming ionized before reaching the sampler.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 3.379
Times cited: 21
DOI: 10.1039/C5JA00162E
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“Particle-in-cell Monte Carlo modeling of Langmuir probes in an Ar plasma”. Cenian A, Chernukho A, Bogaerts A, Gijbels R, Leys C, Journal of applied physics 97, 123310 (2005). http://doi.org/10.1063/1.1938275
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 2.068
Times cited: 18
DOI: 10.1063/1.1938275
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“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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“Particle-in-cell/Monte Carlo collisions treatment of an Ar/O2 magnetron discharge used for the reactive sputter deposition of TiOx films”. Bultinck E, Bogaerts A, New journal of physics 11, 103010 (2009). http://doi.org/10.1088/1367-2630/11/10/103010
Abstract: The physical processes in an Ar/O2 magnetron discharge used for the reactive sputter deposition of TiOx thin films were simulated with a 2d3v particle-in-cell/Monte Carlo collisions (PIC/MCC) model. The plasma species taken into account are electrons, Ar+ ions, fast Arf atoms, metastable Arm* atoms, Ti+ ions, Ti atoms, O+ ions, O2+ ions, O− ions and O atoms. This model accounts for plasmatarget interactions, such as secondary electron emission and target sputtering, and the effects of target poisoning. Furthermore, the deposition process is described by an analytical surface model. The influence of the O2/Ar gas ratio on the plasma potential and on the species densities and fluxes is investigated. Among others, it is shown that a higher O2 pressure causes the region of positive plasma potential and the O− density to be more spread, and the latter to decrease. On the other hand, the deposition rates of Ti and O are not much affected by the O2/Ar proportion. Indeed, the predicted stoichiometry of the deposited TiOx film approaches x=2 for nearly all the investigated O2/Ar proportions.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 3.786
Times cited: 24
DOI: 10.1088/1367-2630/11/10/103010
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“Particle-in-cell/Monte Carlo simulation of a capacitively coupled radio frequency Ar/Cf4 discharge: effect of gas composition”. Georgieva V, Bogaerts A, Gijbels R, Journal of applied physics 93, 2369 (2003). http://doi.org/10.1063/1.1542920
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 2.068
Times cited: 57
DOI: 10.1063/1.1542920
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“Particle-in-cell/Monte Carlo simulations of a low-pressure capacitively coupled radio-frequency discharge: effect of adding H2 to an Ar discharge”. Neyts E, Yan M, Bogaerts A, Gijbels R, Journal of applied physics 93, 5025 (2003). http://doi.org/10.1063/1.1563820
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 2.068
Times cited: 15
DOI: 10.1063/1.1563820
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“Perspectives of Plasma-treated Solutions as Anticancer Drugs”. Attri P, Bogaerts A, Anti-cancer agents in medicinal chemistry 19, 436 (2019). http://doi.org/10.2174/187152061904190521102345
Keywords: A1 Journal article; Pharmacology. Therapy; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 2.598
Times cited: 2
DOI: 10.2174/187152061904190521102345
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“Phase explosion in atmospheric pressure infrared laser ablation from water-rich targets”. Chen Z, Bogaerts A, Vertes A, Applied physics letters 89, 041503 (2006). http://doi.org/10.1063/1.2243961
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 3.411
Times cited: 32
DOI: 10.1063/1.2243961
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“Phase modulation in pulsed dual-frequency capacitively coupled plasmas”. Wen D-Q, Zhang Q-Z, Jiang W, Song U-H, Bogaerts A, Wang Y-N, Journal of applied physics 115, 233303 (2014). http://doi.org/10.1063/1.4884225
Abstract: Particle-in-cell/Monte Carlo collision simulations, coupled with an external circuit, are used to investigate the behavior of pulsed dual-frequency (DF) capacitively coupled plasmas (CCPs). It is found that the phase shift θ between the high (or low) frequency source and the pulse modulation has a great influence on the ion density and the ionization rate. By pulsing the high frequency source, the time-averaged ion density shows a maximum when θ = 90∘. The time-averaged ion energy distribution functions (IEDFs) at the driven electrode, however, keep almost unchanged, illustrating the potential of pulsed DF-CCP for independent control of ion density (and flux) and ion energy. A detailed investigation of the temporal evolution of the plasma characteristics indicates that several high frequency harmonics can be excited at the initial stage of a pulse period by tuning the phase shift θ, and this gives rise to strong sheath oscillations, and therefore high ionization rates. For comparison, the pulsing of the low frequency source is also studied. In this case, the ion density changes slightly as a function of time, and the time-averaged ion density shows the same trend as in the HF modulation for different phase shifts θ. Moreover, the time-averaged IEDFs at the driven electrode can be modulated, showing the potential to reduce the maximum ion bombardment energy.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 2.068
Times cited: 8
DOI: 10.1063/1.4884225
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“Phosphatidylserine flip-flop induced by oxidation of the plasma membrane: a better insight by atomic scale modeling”. Razzokov J, Yusupov M, Vanuytsel S, Neyts EC, Bogaerts A, Plasma processes and polymers 14, 1700013 (2017). http://doi.org/10.1002/ppap.201700013
Abstract: We perform molecular dynamics simulations to study the flip-flop motion of phosphatidylserine (PS) across the plasma membrane upon increasing oxidation degree of the membrane. Our computational results show that an increase of the oxidation degree in the lipids leads to a decrease of the free energy barrier for translocation of PS through the membrane. In other words, oxidation of the lipids facilitates PS flip-flop motion across the membrane, because in native phospholipid bilayers this is only a “rare event” due to the high energy barriers for the translocation of PS. The present study provides an atomic-scale insight into the mechanisms of the PS flip-flop upon oxidation of lipids, as produced for example by cold atmospheric plasma, in living cells.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 2.846
Times cited: 9
DOI: 10.1002/ppap.201700013
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“Phototoxicity and cell passage affect intracellular reactive oxygen species levels and sensitivity towards non-thermal plasma treatment in fluorescently-labeled cancer cells”. Verswyvel H, Deben C, Wouters A, Lardon F, Bogaerts A, Smits E, Lin A, Journal of physics: D: applied physics 56, 294001 (2023). http://doi.org/10.1088/1361-6463/accc3d
Abstract: Live-cell imaging with fluorescence microscopy is a powerful tool, especially in cancer research, widely-used for capturing dynamic cellular processes over time. However, light-induced toxicity (phototoxicity) can be incurred from this method, via disruption of intracellular redox balance and an overload of reactive oxygen species (ROS). This can introduce confounding effects in an experiment, especially in the context of evaluating and screening novel therapies. Here, we aimed to unravel whether phototoxicity can impact cellular homeostasis and response to non-thermal plasma (NTP), a therapeutic strategy which specifically targets the intracellular redox balance. We demonstrate that cells incorporated with a fluorescent reporter for live-cell imaging have increased sensitivity to NTP, when exposed to ambient light or fluorescence excitation, likely through altered proliferation rates and baseline intracellular ROS levels. These changes became even more pronounced the longer the cells stayed in culture. Therefore, our results have important implications for research implementing this analysis technique and are particularly important for designing experiments and evaluating redox-based therapies like NTP.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT); Center for Oncological Research (CORE)
Impact Factor: 3.4
DOI: 10.1088/1361-6463/accc3d
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“Physical plasma-derived oxidants sensitize pancreatic cancer cells to ferroptotic cell death”. Kumar N, Perez-Novo C, Shaw P, Logie E, Privat-Maldonado A, Dewilde S, Smits E, Berghe WV, Bogaerts A, Free Radical Biology And Medicine 166, 187 (2021). http://doi.org/10.1016/j.freeradbiomed.2021.02.026
Abstract: Despite modern therapeutic advances, the survival prospects of pancreatic cancer patients remain poor, due to chemoresistance and dysregulated oncogenic kinase signaling networks. We applied a novel kinome activitymapping approach using biological peptide targets as phospho-sensors to identify vulnerable kinase dependencies for therapy sensitization by physical plasma. Ser/Thr-kinome specific activity changes were mapped upon induction of ferroptotic cell death in pancreatic tumor cells exposed to reactive oxygen and nitrogen species of plasma-treated water (PTW). This revealed a broad kinome activity response involving the CAMK, the AGC and CMGC family of kinases. This systems-level kinome network response supports stress adaptive switches between chemoresistant anti-oxidant responses of Kelch-like ECH-associated protein 1 (KEAP1)/Heme Oxygenase 1 (HMOX1) and ferroptotic cell death sensitization upon suppression of Nuclear factor (erythroid derived 2)-like 2 (NRF2) and Glutathione peroxidase 4 (GPX4). This is further supported by ex vivo experiments in the chicken chorioallantoic membrane assay, showing decreased GPX4 and Glutathione (GSH) expression as well as increased lipid peroxidation, along with suppressed BxPC-3 tumor growth in response to PTW. Taken all together, we demonstrate that plasma treated water-derived oxidants sensitize pancreatic cancer cells to ferroptotic cell death by targeting a NRF2-HMOX1-GPX4 specific kinase signaling network.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT); Center for Oncological Research (CORE)
Impact Factor: 5.606
DOI: 10.1016/j.freeradbiomed.2021.02.026
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“Physical Plasma-Treated Skin Cancer Cells Amplify Tumor Cytotoxicity of Human Natural Killer (NK) Cells”. Clemen R, Heirman P, Lin A, Bogaerts A, Bekeschus S, Cancers 12, 3575 (2020). http://doi.org/10.3390/cancers12123575
Abstract: Skin cancers have the highest prevalence of all human cancers, with the most lethal forms being squamous cell carcinoma and malignant melanoma. Besides the conventional local treatment approaches like surgery and radiotherapy, cold physical plasmas are emerging anticancer tools. Plasma technology is used as a therapeutic agent by generating reactive oxygen species (ROS). Evidence shows that inflammation and adaptive immunity are involved in cancer-reducing effects of plasma treatment, but the role of innate immune cells is still unclear. Natural killer (NK)-cells interact with target cells via activating and inhibiting surface receptors and kill in case of dominating activating signals. In this study, we investigated the effect of cold physical plasma (kINPen) on two skin cancer cell lines (A375 and A431), with non-malignant HaCaT keratinocytes as control, and identified a plasma treatment time-dependent toxicity that was more pronounced in the cancer cells. Plasma treatment also modulated the expression of activating and inhibiting receptors more profoundly in skin cancer cells compared to HaCaT cells, leading to significantly higher NK-cell killing rates in the tumor cells. Together with increased pro-inflammatory mediators such as IL-6 and IL-8, we conclude that plasma treatment spurs stress responses in skin cancer cells, eventually augmenting NK-cell activity.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
DOI: 10.3390/cancers12123575
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“PIC –, MCC numerical simulation of a DC planar magnetron”. Kolev I, Bogaerts A, Plasma processes and polymers 3, 127 (2006). http://doi.org/10.1002/ppap.200500118
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 2.846
Times cited: 27
DOI: 10.1002/ppap.200500118
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“PIC-MC simulation of an RF capacitively coupled Ar/H2 discharge”. Neyts E, Yan M, Bogaerts A, Gijbels R, Nuclear instruments and methods in physics research: B 202, 300 (2003). http://doi.org/10.1016/S0168-583X(02)01873-6
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 1.109
Times cited: 8
DOI: 10.1016/S0168-583X(02)01873-6
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“Pinpointing energy losses in CO 2 plasmas &ndash, Effect on CO 2 conversion”. Berthelot A, Bogaerts A, Journal of CO2 utilization 24, 479 (2018). http://doi.org/10.1016/j.jcou.2018.02.011
Abstract: Plasma technology is gaining increasing interest for CO2 conversion, but to maximize the energy efficiency, it is important to track the different energy transfers taking place in the plasma. In this paper, we study these mechanisms by a 0D chemical kinetics model, including the vibrational kinetics, for different conditions of reduced electric field, gas temperature and ionization degree, at a pressure of 100 mbar. Our model predicts a maximum conversion and energy efficiency of 32% and 47%, respectively, at conditions that are particularly beneficial for energy efficient CO2 conversion, i.e. a low reduced electric field (10 Td) and a low gas temperature (300 K). We study the effect of the efficiency by which the vibrational energy is used to dissociate CO2, as well as of the activation energy of the reaction CO2+O→CO+O2, to elucidate the theoretical limitations to the energy
efficiency. Our model reveals that these parameters are mainly responsible for the limitations in the energy efficiency. By varying these parameters, we can reach a maximum conversion and energy efficiency of 86%. Finally, we derive an empirical formula to estimate the maximum possible energy efficiency that can be reached under the assumptions of the model.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 4.292
Times cited: 6
DOI: 10.1016/j.jcou.2018.02.011
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“Plasma based co2 conversion: a combined modeling and experimental study”. Bogaerts A, Snoeckx R, Berthelot A, Heijkers S, Wang W, Sun S, Van Laer K, Ramakers M, Michielsen I, Uytdenhouwen Y, Meynen V, Cool P, Hakone Xv: International Symposium On High Pressure Low Temperature Plasma Chemistry: With Joint Cost Td1208 Workshop: Non-equilibrium Plasmas With Liquids For Water And Surface Treatment (2016)
Abstract: In recent years there is increased interest in plasma-based CO2 conversion. Several plasma setups are being investigated for this purpose, but the most commonly used ones are a dielectric barrier discharge (DBD), a microwave (MW) plasma and a gliding arc (GA) reactor. In this proceedings paper, we will show results from our experiments in a (packed bed) DBD reactor and in a vortex-flow GA reactor, as well as from our model calculations for the detailed plasma chemistry in a DBD, MW and GA, for pure CO2 as well as mixtures of CO2 with N-2, CH4 and H2O.
Keywords: P1 Proceeding; Laboratory of adsorption and catalysis (LADCA); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
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“Plasma based CO2and CH4conversion: A modeling perspective”. Bogaerts A, De Bie C, Snoeckx R, Koz?k T, Plasma processes and polymers 14, 1600070 (2017). http://doi.org/10.1002/ppap.201600070
Abstract: This paper gives an overview of our plasma chemistry modeling for CO2 and CH4 conversion in a dielectric barrier discharge (DBD) and microwave (MW) plasma. We focus on pure CO2 splitting and pure CH4 reforming, as well as mixtures of CO2/CH4, CH4/O2, and CO2/H2O. We show calculation results for the conversion, energy efficiency, and product formation, in comparison with experiments where possible. We also present the underlying chemical reaction pathways, to explain the observed
trends. For pure CO2, a comparison is made between a DBD and MW plasma, illustrating that the higher energy efficiency of the latter is attributed to the more important role of the vibrational levels.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 2.846
Times cited: 17
DOI: 10.1002/ppap.201600070
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Engelmann Y, van &rsquo,t Veer K, Gorbanev Y, Neyts EC, Schneider WF, Bogaerts A (2021) Plasma Catalysis for Ammonia Synthesis: A Microkinetic Modeling Study on the Contributions of Eley–Rideal Reactions. 13151–13163
Abstract: Plasma catalysis is an emerging new technology for the electrification and downscaling of NH3 synthesis. Increasing attention is being paid to the optimization of plasma catalysis with respect to the plasma conditions, the catalyst material, and their mutual interaction. In this work we use microkinetic models to study how the total conversion process is impacted by the combination of different plasma conditions and transition metal catalysts. We study how plasma-generated radicals and vibrationally excited N2 (present in a dielectric barrier discharge plasma) interact with the catalyst and impact the NH3 turnover frequencies (TOFs). Both filamentary and uniform plasmas are studied, based on plasma chemistry models that provided plasma phase speciation and vibrational distribution functions. The Langmuir−Hinshelwood reaction rate coefficients (i.e., adsorption reactions and subsequent reactions among adsorbates) are determined using conventional scaling relations. An additional set of Eley−Rideal reactions (i.e., direct reactions of plasma radicals with adsorbates) was added and a sensitivity analysis on the assumed reaction rate coefficients was performed. We first show the impact of different vibrational distribution functions on the catalytic dissociation of N2 and subsequent production of NH3, and we gradually include more radical reactions, to illustrate the contribution of these species and their corresponding reaction pathways. Analysis over a large range of catalysts indicates that different transition metals (metals such as Rh, Ni, Pt, and Pd) optimize the NH3TOFs depending on the population of the vibrational levels of N2. At higher concentrations of plasma-generated radicals, the NH3 TOFs become less dependent on the catalyst material, due to radical adsorptions on the more noble catalysts and Eley−Rideal reactions on the less noble catalysts.
Keywords: A1 Journal Article;Plasma catalysis; Eley−Rideal reactions; Volcano plots; Vibrational excitation; Radical reactions; Dielectric barrier discharge; Plasma, laser ablation and surface modeling Antwerp (PLASMANT) ;
Impact Factor: 5.951
DOI: 10.1021/acssuschemeng.1c02713
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“Plasma Catalysis for CO2Hydrogenation: Unlocking New Pathways toward CH3OH”. Michiels R, Engelmann Y, Bogaerts A, Journal Of Physical Chemistry C 124, 25859 (2020). http://doi.org/10.1021/acs.jpcc.0c07632
Abstract: We developed a microkinetic model to reveal the effects of plasma-generated radicals, intermediates, and vibrationally excited species on the catalytic hydrogenation of CO2 to CH3OH on a Cu(111) surface. As a benchmark, we first present the mechanisms of thermal catalytic CH3OH formation. Our model predicts that the reverse water-gas shift reaction followed by CO hydrogenation, together with the formate path, mainly contribute to CH3OH formation in thermal catalysis. Adding plasma-generated radicals and intermediates results in a higher CH3OH turnover frequency (TOF) by six to seven orders of magnitude, showing the potential of plasma-catalytic CO2 hydrogenation into CH3OH, in accordance with the literature. In addition, CO2 vibrational excitation further increases the CH3OH TOF, but the effect is limited due to relatively low vibrational temperatures under typical plasma catalysis conditions. The predicted increase in CH3OH formation by plasma catalysis is mainly attributed to the increased importance of the formate path. In addition, the conversion of plasma-generated CO to HCO* and subsequent HCOO* or H2CO* formation contribute to CH3OH formation. Both pathways bypass the HCOO* formation from CO2, which is the main bottleneck in the process. Hence, our model points toward the important role of CO, but also O, OH, and H radicals, as they influence the reactions that consume CO2 and CO. In addition, our model reveals that the H pressure should not be smaller than ca. half of the O pressure in the plasma as this would cause O* poisoning, which would result in very small product TOFs. Thus, plasma conditions should be targeted with a high CO and H content as this is favorable for CH3OH formation, while the O content should be minimized.
Keywords: A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT); Movement Antwerp (MOVANT)
Impact Factor: 3.7
DOI: 10.1021/acs.jpcc.0c07632
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“Plasma catalysis in ammonia production and decomposition: Use it, or lose it?”.Gorbanev Y, Fedirchyk I, Bogaerts A, Current Opinion in Green and Sustainable Chemistry 47, 100916 (2024). http://doi.org/10.1016/j.cogsc.2024.100916
Abstract: The combination of plasma with catalysis for the synthesis and decomposition of NH3 is an attractive route to the production of carbon-neutral fertiliser and energy carriers and its conversion into H2. Recent years have seen fast developments in the field of plasma-catalytic NH3 life cycle. This work summarises the most recent advances in plasma-catalytic and related NH3-focussed processes, identifies some of the most important discoveries, and addresses plausible strategies for future developments in plasma-based NH3 technology.
Keywords: A1 Journal Article; Plasma Nitrogen fixation Ammonia Plasma catalysis Production and decomposition; Plasma, laser ablation and surface modeling Antwerp (PLASMANT) ;
Impact Factor: 9.3
DOI: 10.1016/j.cogsc.2024.100916
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“Plasma Catalysis: Synergistic Effects at the Nanoscale”. Neyts EC, Ostrikov KK, Sunkara MK, Bogaerts A, Chemical reviews 115, 13408 (2015). http://doi.org/10.1021/acs.chemrev.5b00362
Abstract: Thermal-catalytic gas processing is integral to many current industrial processes. Ever-increasing demands on conversion and energy efficiencies are a strong driving force for the development of alternative approaches. Similarly, synthesis of several functional materials (such as nanowires and nanotubes) demands special processing conditions. Plasma catalysis provides such an alternative, where the catalytic process is complemented by the use of plasmas that activate the source gas. This combination is often observed to result in a synergy between plasma and catalyst. This Review introduces the current state-of-the-art in plasma catalysis, including numerous examples where plasma catalysis has demonstrated its benefits or shows future potential, including CO2 conversion, hydrocarbon reforming, synthesis of nanomaterials, ammonia production, and abatement of toxic waste gases. The underlying mechanisms governing these applications, as resulting from the interaction between the plasma and the catalyst, render the process highly complex, and little is known about the factors leading to the often-observed synergy. This Review critically examines the catalytic mechanisms relevant to each specific application.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 47.928
Times cited: 204
DOI: 10.1021/acs.chemrev.5b00362
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“Plasma characteristics of an Ar/CF4/N2 discharge in an asymmetric dual frequency reactor: numerical investigation by a PIC/MC model”. Georgieva V, Bogaerts A, Plasma sources science and technology 15, 368 (2006). http://doi.org/10.1088/0963-0252/15/3/010
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 3.302
Times cited: 35
DOI: 10.1088/0963-0252/15/3/010
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“Plasma chemical looping : unlocking high-efficiency CO₂, conversion to clean CO at mild temperatures”. Long Y, Wang X, Zhang H, Wang K, Ong W-L, Bogaerts A, Li K, Lu C, Li X, Yan J, Tu X, Zhang H, JACS Au (2024). http://doi.org/10.1021/JACSAU.4C00153
Abstract: We propose a plasma chemical looping CO2 splitting (PCLCS) approach that enables highly efficient CO2 conversion into O-2-free CO at mild temperatures. PCLCS achieves an impressive 84% CO2 conversion and a 1.3 mmol g(-1) CO yield, with no O-2 detected. Crucially, this strategy significantly lowers the temperature required for conventional chemical looping processes from 650 to 1000 degrees C to only 320 degrees C, demonstrating a robust synergy between plasma and the Ce0.7Zr0.3O2 oxygen carrier (OC). Systematic experiments and density functional theory (DFT) calculations unveil the pivotal role of plasma in activating and partially decomposing CO2, yielding a mixture of CO, O-2/O, and electronically/vibrationally excited CO2*. Notably, these excited CO2* species then efficiently decompose over the oxygen vacancies of the OCs, with a substantially reduced activation barrier (0.86 eV) compared to ground-state CO2 (1.63 eV), contributing to the synergy. This work offers a promising and energy-efficient pathway for producing O-2-free CO from inert CO2 through the tailored interplay of plasma and OCs.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
DOI: 10.1021/JACSAU.4C00153
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“Plasma chemistry modeling for an inductively coupled plasma used for the growth of carbon nanotubes”. Mao M, Bogaerts A, Journal of physics : conference series 275, 012021 (2011). http://doi.org/10.1088/1742-6596/275/1/012021
Abstract: A hybrid model, called the hybrid plasma equipment model (HPEM), is used to describe the plasma chemistry in an inductively coupled plasma, operating in a gas mixture of C2H2 with either H2 or NH3, as typically used for carbon nanotube (CNT) growth. Two-dimensional profiles of power density, electron temperature and density, gas temperature, and densities of some plasma species are plotted and analyzed. Besides, the fluxes of the various plasma species towards the substrate (where the CNTs can be grown), as well as the decomposition rates of the feedstock gases (C2H2, NH3 and H2), are calculated as a function of the C2H2 fraction in both gas mixtures.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
DOI: 10.1088/1742-6596/275/1/012021
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“Plasma diagnostics and numerical simulations: insight into the heart of analytical glow discharges”. Bogaerts A, Journal of analytical atomic spectrometry 22, 13 (2007). http://doi.org/10.1039/b611436a
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 3.379
Times cited: 23
DOI: 10.1039/b611436a
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“Plasma diagnostics of an analytical Grimm-type glow discharge in argon and in neon: Langmuir probe and optical emission spectroscopy measurements”. Bogaerts A, Quentmeier A, Jakubowski N, Gijbels R, Spectrochimica acta: part B : atomic spectroscopy 50, 1337 (1995). http://doi.org/10.1016/0584-8547(95)01356-5
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 3.176
Times cited: 37
DOI: 10.1016/0584-8547(95)01356-5
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“Plasma for cancer treatment: How can RONS penetrate through the cell membrane? Answers from computer modeling”. Bogaerts A, Yusupov M, Razzokov J, Van der Paal J, Frontiers of Chemical Science and Engineering (2019). http://doi.org/10.1007/s11705-018-1786-8
Abstract: Plasma is gaining increasing interest for cancer
treatment, but the underlying mechanisms are not yet fully
understood. Using computer simulations at the molecular
level, we try to gain better insight in how plasma-generated
reactive oxygen and nitrogen species (RONS) can
penetrate through the cell membrane. Specifically, we
compare the permeability of various (hydrophilic and
hydrophobic) RONS across both oxidized and nonoxidized cell membranes. We also study pore formation,
and how it is hampered by higher concentrations of
cholesterol in the cell membrane, and we illustrate the
much higher permeability of H2O2 through aquaporin
channels. Both mechanisms may explain the selective
cytotoxic effect of plasma towards cancer cells. Finally, we
also discuss the synergistic effect of plasma-induced
oxidation and electric fields towards pore formation.
Keywords plasma medicine, cancer treatment, computer
modelling, cell membrane, reactive oxygen and nitrogen
species
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 1.712
Times cited: 5
DOI: 10.1007/s11705-018-1786-8
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