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Author Razzokov, J.; Yusupov, M.; Bogaerts, A.
  Title Oxidation destabilizes toxic amyloid beta peptide aggregation Type A1 Journal article
  Year 2019 Publication Scientific reports Abbreviated Journal Sci Rep-Uk
  Volume 9 Issue 1 Pages 5476
  Keywords (up) A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract The aggregation of insoluble amyloid beta (Aβ) peptides in the brain is known to trigger the onset of neurodegenerative diseases, such as Alzheimer’s disease. In spite of the massive number of investigations, the underlying mechanisms to destabilize the Aβ aggregates are still poorly understood. Some studies indicate the importance of oxidation to destabilize the Aβ aggregates. In particular, oxidation induced by cold atmospheric plasma (CAP) has demonstrated promising results in eliminating these toxic aggregates. In this paper, we investigate the effect of oxidation on the stability of an Aβ pentamer. By means of molecular dynamics simulations and umbrella sampling, we elucidate the conformational changes of Aβ pentamer in the presence of oxidized residues, and we estimate the dissociation free energy of the terminal peptide out of the pentamer form. The calculated dissociation free energy of the terminal peptide is also found to decrease with increasing oxidation. This indicates that Aβ pentamer aggregation becomes less favorable upon oxidation. Our study contributes to a better insight in one of the potential mechanisms for inhibition of toxic Aβ peptide aggregation, which is considered to be the main culprit to Alzheimer’s disease.
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  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000462990000018 Publication Date 2019-04-02
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2045-2322 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 4.259 Times cited 5 Open Access OpenAccess
  Notes M.Y. gratefully acknowledges financial support from the Research Foundation – Flanders (FWO), grant 1200216N and 1200219N. The computational work was carried out using the Turing HPC infrastructure at the CalcUA core facility of the Universiteit Antwerpen (UA), a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government (department EWI) and the UA. Approved Most recent IF: 4.259
  Call Number PLASMANT @ plasmant @UA @ admin @ c:irua:159367 Serial 5182
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Author Jafarzadeh, A.; Bal, K.M.; Bogaerts, A.; Neyts, E.C.
  Title CO2 activation on TiO2-supported Cu5 and Ni5 nanoclusters : effect of plasma-induced surface charging Type A1 Journal article
  Year 2019 Publication The journal of physical chemistry: C : nanomaterials and interfaces Abbreviated Journal J Phys Chem C
  Volume 123 Issue 11 Pages 6516-6525
  Keywords (up) A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract Surface charging is an often overlooked factor in many plasma-surface interactions and in particular in plasma catalysis. In this study, we investigate the effect of excess electrons induced by a plasma on the adsorption properties of CO2 on titania-supported Cu-5 and Ni-5 clusters using spin-polarized and dispersion-corrected density functional theory calculations. The effect of excess electrons on the adsorption of Ni and Cu pentamers as well as on CO2 adsorption on a pristine anatase TiO2(101) slab is studied. Our results indicate that adding plasma-induced excess electrons to the system leads to further stabilization of the bent CO2 structure. Also, dissociation of CO2 on charged clusters is energetically more favorable than on neutral clusters. We hypothesize that surface charge is a plausible cause for the synergistic effects sometimes observed in plasma catalysis.
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  Publisher Place of Publication Editor
  Language Wos 000462260700024 Publication Date 2019-02-21
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1932-7447; 1932-7455 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 4.536 Times cited 4 Open Access OpenAccess
  Notes Approved Most recent IF: 4.536
  Call Number UA @ admin @ c:irua:159422 Serial 5281
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Author Bal, K.M.; Bogaerts, A.; Neyts, E.C.
  Title Ensemble-Based Molecular Simulation of Chemical Reactions under Vibrational Nonequilibrium Type A1 Journal article
  Year 2020 Publication Journal Of Physical Chemistry Letters Abbreviated Journal J Phys Chem Lett
  Volume 11 Issue 2 Pages 401-406
  Keywords (up) A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract We present an approach to incorporate the effect of vibrational nonequilibrium in molecular dynamics (MD) simulations. A perturbed canonical ensemble, in which selected modes are excited to higher temperature while all others remain equilibrated at low temperature, is simulated by applying a specifically tailored bias potential. Our method can be readily applied to any (classical or quantum mechanical) MD setup at virtually no additional computational cost and allows the study of reactions of vibrationally excited molecules in nonequilibrium environments such as plasmas. In combination with enhanced sampling methods, the vibrational efficacy and mode selectivity of vibrationally stimulated reactions can then be quantified in terms of chemically relevant observables, such as reaction rates and apparent free energy barriers. We first validate our method for the prototypical hydrogen exchange reaction and then show how it can capture the effect of vibrational excitation on a symmetric SN2 reaction and radical addition on CO2.
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  Language Wos 000508473400008 Publication Date 2020-01-16
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1948-7185 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 5.7 Times cited Open Access
  Notes Universiteit Antwerpen; Fonds Wetenschappelijk Onderzoek, 12ZI420N ; Departement Economie, Wetenschap en Innovatie van de Vlaamse Overheid; K.M.B. was funded as a junior postdoctoral fellow of the FWO (Research Foundation − Flanders), Grant 12ZI420N, and through a TOP-BOF research project of the University of Antwerp. The computational resources and services used in this work were provided by the VSC (Flemish Supercomputer Center), funded by the FWO and the Flemish Government− department EWI. Approved Most recent IF: 5.7; 2020 IF: 9.353
  Call Number PLASMANT @ plasmant @c:irua:165587 Serial 5442
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Author Van Alphen, S.; Vermeiren, V.; Butterworth, T.; van den Bekerom, D.C.M.; van Rooij, G.J.; Bogaerts, A.
  Title Power Pulsing To Maximize Vibrational Excitation Efficiency in N2Microwave Plasma: A Combined Experimental and Computational Study Type A1 Journal article
  Year 2020 Publication Journal Of Physical Chemistry C Abbreviated Journal J Phys Chem C
  Volume 124 Issue 3 Pages 1765-1779
  Keywords (up) A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract Plasma is gaining increasing interest for N2 fixation, being a flexible, electricity-driven alternative for the current conventional fossil fuel-based N2 fixation processes. As the vibrational-induced dissociation of N2 is found to be an energy-efficient pathway to acquire atomic N for the fixation processes, plasmas that are in vibrational nonequilibrium seem promising for this application. However, an important challenge in using nonequilibrium plasmas lies in preventing vibrational−translational (VT) relaxation processes, in which vibrational energy crucial for N2 dissociation is lost to gas heating. We present here both experimental and modeling results for the vibrational and gas temperature in a microsecond-pulsed microwave (MW) N2 plasma, showing how power pulsing can suppress this unfavorable VT relaxation and achieve a maximal vibrational nonequilibrium. By means of our kinetic model, we demonstrate that pulsed plasmas take advantage of the long time scale on which VT processes occur, yielding a very pronounced nonequilibrium over the whole N2 vibrational ladder. Additionally, the effect of pulse parameters like the pulse frequency and pulse width are investigated, demonstrating that the advantage of pulsing to inhibit VT relaxation diminishes for high pulse frequencies (around 7000 kHz) and long power pulses (above 400 μs). Nevertheless, all regimes studied here demonstrate a clear vibrational nonequilibrium while only requiring a limited power-on time, and thus, we may conclude that a pulsed plasma seems very interesting for energyefficient vibrational excitation.
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  Language Wos 000509438600001 Publication Date 2020-01-23
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1932-7447 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 3.7 Times cited Open Access
  Notes Fonds Wetenschappelijk Onderzoek, 30505023 GoF9618n ; This research was supported by the Excellence of Science FWO-FNRS project (FWO Grant ID GoF9618n, EOS ID 30505023). The calculations were performed using the Turing HPC infrastructure at the CalcUA core facility of the Universiteit Antwerpen (UAntwerpen), a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government (department EWI) and the UAntwerpen. Approved Most recent IF: 3.7; 2020 IF: 4.536
  Call Number PLASMANT @ plasmant @c:irua:165586 Serial 5443
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Author Slaets, J.; Aghaei, M.; Ceulemans, S.; Van Alphen, S.; Bogaerts, A.
  Title CO2and CH4conversion in “real” gas mixtures in a gliding arc plasmatron: how do N2and O2affect the performance? Type A1 Journal article
  Year 2020 Publication Green Chemistry Abbreviated Journal Green Chem
  Volume 22 Issue 4 Pages 1366-1377
  Keywords (up) A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract In this paper we study dry reforming of methane (DRM) in a gliding arc plasmatron (GAP) in the presence of N<sub>2</sub>and O<sub>2</sub>. N<sub>2</sub>is added to create a stable plasma at equal fractions of CO<sub>2</sub>and CH<sub>4</sub>, and because emissions from industrial plants typically contain N<sub>2</sub>, while O<sub>2</sub>is added to enhance the process. We test different gas mixing ratios to evaluate the conversion and energy cost. We obtain conversions between 31 and 52% for CO<sub>2</sub>and between 55 and 99% for CH<sub>4</sub>, with total energy costs between 3.4 and 5.0 eV per molecule, depending on the gas mixture. This is very competitive when benchmarked with the literature. In addition, we present a chemical kinetics model to obtain deeper insight in the underlying plasma chemistry. This allows determination of the major reaction pathways to convert CO<sub>2</sub>and CH<sub>4</sub>, in the presence of O<sub>2</sub>and N<sub>2</sub>, into CO and H<sub>2</sub>. We show that N<sub>2</sub>assists in the CO<sub>2</sub>conversion, but part of the applied energy is also wasted in N<sub>2</sub>excitation. Adding O<sub>2</sub>enhances the CH<sub>4</sub>conversion, and lowers the energy cost, while the CO<sub>2</sub>conversion remains constant, and only slightly drops at the highest O<sub>2</sub>fractions studied, when CH<sub>4</sub>is fully oxidized into CO<sub>2</sub>.
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  Language Wos 000518034000032 Publication Date 2020-01-30
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1463-9262 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 9.8 Times cited Open Access OpenAccess
  Notes H2020 European Research Council, 810182 ; Fonds Wetenschappelijk Onderzoek, GoF9618n 12M7118N ; We acknowledge financial support from the European Research Council (ERC) under the European Union’s Horizon 2020 research and innovation programme (grant agreement No 810182 – SCOPE ERC Synergy project), the Excellence of Science FWO-FNRS project (FWO grant ID GoF9618n, EOS ID 30505023), and the FWO postdoctoral fellowship of M. A. (Grant number 12M7118N). This work was carried out in part using the Turing HPC infrastructure at the CalcUA core facility of the Universiteit Antwerpen, a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government (department EWI) and the University of Antwerp. Approved Most recent IF: 9.8; 2020 IF: 9.125
  Call Number PLASMANT @ plasmant @c:irua:167136 Serial 6339
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Author Heijkers, S.; Aghaei, M.; Bogaerts, A.
  Title Plasma-Based CH4Conversion into Higher Hydrocarbons and H2: Modeling to Reveal the Reaction Mechanisms of Different Plasma Sources Type A1 Journal article
  Year 2020 Publication Journal Of Physical Chemistry C Abbreviated Journal J Phys Chem C
  Volume 124 Issue 13 Pages 7016-7030
  Keywords (up) A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract Plasma is gaining interest for CH4 conversion into higher hydrocarbons and H2. However, the performance in terms of conversion and selectivity toward different hydrocarbons is different for different plasma types, and the underlying mechanisms are not yet fully understood. Therefore, we study here these mechanisms in different plasma sources, by means of a chemical kinetics model. The model is first validated by comparing the calculated conversions and hydrocarbon/H2 selectivities with experimental results in these different plasma types and over a wide range of specific energy input (SEI) values. Our model predicts that vibrational−translational nonequilibrium is negligible in all CH4 plasmas investigated, and instead, thermal conversion is important. Higher gas temperatures also lead to a more selective production of unsaturated hydrocarbons (mainly C2H2) due to neutral dissociation of CH4 and subsequent dehydrogenation processes, while three-body recombination reactions into saturated hydrocarbons (mainly C2H6, but also higher hydrocarbons) are dominant in low temperature plasmas.
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  Language Wos 000526328500007 Publication Date 2020-04-02
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1932-7447 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 3.7 Times cited Open Access OpenAccess
  Notes Universiteit Antwerpen; Vlaamse regering; Fonds Wetenschappelijk Onderzoek, G.0383.16N ; H2020 European Research Council, 810182 ; We acknowledge financial support from the Fund for Scientific Research, Flanders (FWO; Grant No. G.0383.16N), the Methusalem Grant, and the European Research Council (ERC) under the European Union’s Horizon 2020 research and innovation programme (Grant Agreement No. 810182 − SCOPE ERC Synergy project). This work was carried out in part using the Turing HPC infrastructure at the CalcUA core facility of the Universiteit Antwerpen, a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government (department EWI) and the University of Antwerp. Approved Most recent IF: 3.7; 2020 IF: 4.536
  Call Number PLASMANT @ plasmant @c:irua:168096 Serial 6358
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Author Jafarzadeh, A.; Bal, K.M.; Bogaerts, A.; Neyts, E.C.
  Title Activation of CO2on Copper Surfaces: The Synergy between Electric Field, Surface Morphology, and Excess Electrons Type A1 Journal article
  Year 2020 Publication Journal Of Physical Chemistry C Abbreviated Journal J Phys Chem C
  Volume 124 Issue 12 Pages 6747-6755
  Keywords (up) A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract In this work, we use density functional theory calculations to study the combined effect of external electric fields, surface morphology, and surface charge on CO2 activation over Cu(111), Cu(211), Cu(110), and Cu(001) surfaces. We observe that the binding energy of the CO2 molecule on Cu surfaces increases significantly upon increasing the applied electric field strength. In addition, rougher surfaces respond more effectively to the presence of the external electric field toward facilitating the formation of a carbonate-like CO2 structure and the transformation of the most stable adsorption mode from physisorption to chemisorption. The presence of surface charges further strengthens the electric field effect and consequently causes an improved bending of the CO2 molecule and C−O bond length elongation. On the other hand, a net charge in the absence of an externally applied electric field shows only a marginal effect on CO2 binding. The chemisorbed CO2 is more stable and further activated when the effects of an external electric field, rough surface, and surface charge are combined. These results can help to elucidate the underlying factors that control CO2 activation in heterogeneous and plasma catalysis, as well as in electrochemical processes.
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  Language Wos 000526396900030 Publication Date 2020-03-26
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1932-7447 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 3.7 Times cited Open Access
  Notes Bijzonder Onderzoeksfonds, 32249 ; The financial support from the TOP research project of the Research Fund of the University of Antwerp (grant ID: 32249) is highly acknowledged by the authors. The computational resources used in this study were provided by the VSC (Flemish Supercomputer Center), funded by the FWO and the Flemish Governmentdepartment EWI. Approved Most recent IF: 3.7; 2020 IF: 4.536
  Call Number PLASMANT @ plasmant @c:irua:168606 Serial 6361
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Author Vervloessem, E.; Aghaei, M.; Jardali, F.; Hafezkhiabani, N.; Bogaerts, A.
  Title Plasma-Based N2Fixation into NOx: Insights from Modeling toward Optimum Yields and Energy Costs in a Gliding Arc Plasmatron Type A1 Journal article
  Year 2020 Publication Acs Sustainable Chemistry & Engineering Abbreviated Journal Acs Sustain Chem Eng
  Volume 8 Issue 26 Pages 9711-9720
  Keywords (up) A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract Plasma technology provides a sustainable, fossil-free method for N2 fixation, i.e., the conversion of inert atmospheric N2 into valuable substances, such as NOx or ammonia. In this work, we present a novel gliding arc plasmatron at atmospheric pressure for NOx production at different N2/O2 gas feed ratios, offering a promising NOx yield of 1.5% with an energy cost of 3.6 MJ/mol NOx produced. To explain the underlying mechanisms, we present a chemical kinetics model, validated by experiments, which provides insight into the NOx formation pathways and into the ambivalent role of the vibrational kinetics. This allows us to pinpoint the factors limiting the yield and energy cost, which can help to further improve the process.
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  Language Wos 000548456600013 Publication Date 2020-07-06
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2168-0485 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 8.4 Times cited Open Access OpenAccess
  Notes Herculesstichting; Universiteit Antwerpen; Vlaamse regering; H2020 European Research Council, 810182 ; N2 Applied; Excellence of Science FWO – FNRS project, 30505023 GoF9618n ; Approved Most recent IF: 8.4; 2020 IF: 5.951
  Call Number PLASMANT @ plasmant @c:irua:170138 Serial 6392
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Author Mehta, A.N.; Mo, J.; Pourtois, G.; Dabral, A.; Groven, B.; Bender, H.; Favia, P.; Caymax, M.; Vandervorst, W.
  Title Grain-boundary-induced strain and distortion in epitaxial bilayer MoS₂ lattice Type A1 Journal article
  Year 2020 Publication Journal Of Physical Chemistry C Abbreviated Journal J Phys Chem C
  Volume 124 Issue 11 Pages 6472-6478
  Keywords (up) A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract Grain boundaries between 60 degrees rotated and twinned crystals constitute the dominant type of extended line defects in two-dimensional transition metal dichalcogenides (2D MX2) when grown on a single crystalline template through van der Waals epitaxy. The two most common 60 degrees grain boundaries in MX2 layers, i.e., beta- and gamma-boundaries, introduce distinct distortion and strain into the 2D lattice. They impart a localized tensile or compressive strain on the subsequent layer, respectively, due to van der Waals coupling in bilayer MX2 as determined by combining atomic resolution electron microscopy, geometric phase analysis, and density functional theory. Based on these observations, an alternate route to strain engineering through controlling intrinsic van der Waals forces in homobilayer MX2 is proposed. In contrast to the commonly used external means, this approach enables the localized application of strain to tune the electronic properties of the 2D semiconducting channel in ultra-scaled nanoelectronic applications.
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  Language Wos 000526396000067 Publication Date 2020-02-21
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1932-7447; 1932-7455 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 3.7 Times cited 2 Open Access
  Notes ; ; Approved Most recent IF: 3.7; 2020 IF: 4.536
  Call Number UA @ admin @ c:irua:168625 Serial 6528
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Author Marinov, D.; de Marneffe, J.-F.; Smets, Q.; Arutchelvan, G.; Bal, K.M.; Voronina, E.; Rakhimova, T.; Mankelevich, Y.; El Kazzi, S.; Nalin Mehta, A.; Wyndaele, P.-J.; Heyne, M.H.; Zhang, J.; With, P.C.; Banerjee, S.; Neyts, E.C.; Asselberghs, I.; Lin, D.; De Gendt, S.
  Title Reactive plasma cleaning and restoration of transition metal dichalcogenide monolayers Type A1 Journal article
  Year 2021 Publication npj 2D Materials and Applications Abbreviated Journal npj 2D Mater Appl
  Volume 5 Issue 1 Pages 17
  Keywords (up) A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract The cleaning of two-dimensional (2D) materials is an essential step in the fabrication of future devices, leveraging their unique physical, optical, and chemical properties. Part of these emerging 2D materials are transition metal dichalcogenides (TMDs). So far there is limited understanding of the cleaning of “monolayer” TMD materials. In this study, we report on the use of downstream H<sub>2</sub>plasma to clean the surface of monolayer WS<sub>2</sub>grown by MOCVD. We demonstrate that high-temperature processing is essential, allowing to maximize the removal rate of polymers and to mitigate damage caused to the WS<sub>2</sub>in the form of sulfur vacancies. We show that low temperature in situ carbonyl sulfide (OCS) soak is an efficient way to resulfurize the material, besides high-temperature H<sub>2</sub>S annealing. The cleaning processes and mechanisms elucidated in this work are tested on back-gated field-effect transistors, confirming that transport properties of WS<sub>2</sub>devices can be maintained by the combination of H<sub>2</sub>plasma cleaning and OCS restoration. The low-damage plasma cleaning based on H<sub>2</sub>and OCS is very reproducible, fast (completed in a few minutes) and uses a 300 mm industrial plasma etch system qualified for standard semiconductor pilot production. This process is, therefore, expected to enable the industrial scale-up of 2D-based devices, co-integrated with silicon technology.
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  Language Wos 000613258900001 Publication Date 2021-01-28
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  ISSN 2397-7132 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor Times cited Open Access OpenAccess
  Notes Daniil Marinov has received funding from the European Union’s Horizon 2020 research and innovation program under the Marie Sklodowska-Curie grant agreement No 752164. Ekaterina Voronina, Yuri Mankelevitch, and Tatyana Rakhimova are thankful to the Russian Science Foundation (RSF) for financial support (Grant No. 16-12-10361). This study was carried out using the equipment of the shared research facilities of high-performance computing resources at Lomonosov Moscow State University and the computational resources and services of the HPC core facility CalcUA of the University of Antwerp, and VSC (Flemish Supercomputer Center), funded by the Research Foundation-Flanders (FWO) and the Flemish Government. Patrick With gratefully acknowledges imec’s CTO office for financial support during his stay at imec. The authors thank Mr. Surajit Sutar (imec) for his help during sample electrical characterization, and Patrick Verdonck for lab processing. Jean-François de Marneffe thank Prof. Simone Napolitano from the Free University of Brussels for useful discussions on irreversibly adsorbed polymer layers, and Cédric Huyghebaert (imec) for his continuous support in the framework of the Graphene FET Flagship core project. All authors acknowledge the support of imec’s pilot line and materials characterization and analysis (MCA) group, namely Jonathan Ludwig, Stefanie Sergeant, Thomas Nuytten, Olivier Richard, and Thierry Conard. Finally, Daniil Marinov thank Mikhail Krishtab (imec/KU Leuven) for his help in selecting the optimal plasma etch system for this work. Part of this project has received funding from the European Union’s Horizon 2020 research and innovation program under grant agreement No 649953. Approved Most recent IF: NA
  Call Number PLASMANT @ plasmant @c:irua:175871 Serial 6671
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Author Jardali, F.; Van Alphen, S.; Creel, J.; Ahmadi Eshtehardi, H.; Axelsson, M.; Ingels, R.; Snyders, R.; Bogaerts, A.
  Title NOxproduction in a rotating gliding arc plasma: potential avenue for sustainable nitrogen fixation Type A1 Journal article
  Year 2021 Publication Green Chemistry Abbreviated Journal Green Chem
  Volume 23 Issue 4 Pages 1748-1757
  Keywords (up) A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract The fast growing world population demands food to survive, and nitrogen-based fertilizers are essential to ensure sufficient food production. Today, fertilizers are mainly produced from non-sustainable fossil fuels<italic>via</italic>the Haber–Bosch process, leading to serious environmental problems. We propose here a novel rotating gliding arc plasma, operating in air, for direct NO<sub>x</sub>production, which can yield high nitrogen content organic fertilizers without pollution associated with ammonia emission. We explored the efficiency of NO<sub>x</sub>production in a wide range of feed gas ratios, and for two arc modes: rotating and steady. When the arc is in steady mode, record-value NO<sub>x</sub>concentrations up to 5.5% are achieved which are 1.7 times higher than the maximum concentration obtained by the rotating arc mode, and with an energy consumption of 2.5 MJ mol<sup>−1</sup>(or<italic>ca.</italic>50 kW h kN<sup>−1</sup>);<italic>i.e.</italic>the lowest value so far achieved by atmospheric pressure plasma reactors. Computer modelling, using a combination of five different complementary approaches, provides a comprehensive picture of NO<sub>x</sub>formation in both arc modes; in particular, the higher NO<sub>x</sub>production in the steady arc mode is due to the combined thermal and vibrationally-promoted Zeldovich mechanisms.
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  Publisher Place of Publication Editor
  Language Wos 000629630600021 Publication Date 2021-01-28
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1463-9262 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 9.125 Times cited Open Access OpenAccess
  Notes Fonds Wetenschappelijk Onderzoek, GoF9618n 30505023 ; H2020 European Research Council, 810182 ; This research was supported by a Bilateral Project with N2 Applied, the Excellence of Science FWO-FNRS project (FWO grant ID GoF9618n, EOS ID 30505023) and by the European Research Council (ERC) under the European Union’s Horizon 2020 research and innovation programme (grant agreement no 810182 – SCOPE ERC Synergy project). The calculations were performed using the Turing HPC infrastructure at the CalcUA core facility of the Universiteit Antwerpen (UAntwerpen), a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government (department EWI) and the UAntwerpen. We also thank J.-L. Liu for the RGA design, L. Van ‘t dack and K. Leyssens for MS calibration and practical support, and K. Van ‘t Veer for the fruitful discussions on plasma kinetic modelling and for calculating the electron energy losses. Approved Most recent IF: 9.125
  Call Number PLASMANT @ plasmant @c:irua:176022 Serial 6678
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Author 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, S.M.; Tanaka, H.; Liu, D.; Yan, D.; Yusupov, M.
  Title Low-Temperature Plasma for Biology, Hygiene, and Medicine: Perspective and Roadmap Type A1 Journal article
  Year 2022 Publication IEEE transactions on radiation and plasma medical sciences Abbreviated Journal IEEE Trans. Radiat. Plasma Med. Sci.
  Volume 6 Issue 2 Pages 127-157
  Keywords (up) A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  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.
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  Language Wos 000750257400005 Publication Date 2021-12-14
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2469-7311 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor Times cited Open Access OpenAccess
  Notes Research Foundation—Flanders, 1200219N ; Approved Most recent IF: NA
  Call Number PLASMANT @ plasmant @c:irua:185875 Serial 6907
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Author Zhang, L.; Heijkers, S.; Wang, W.; Martini, L.M.; Tosi, P.; Yang, D.; Fang, Z.; Bogaerts, A.
  Title Dry reforming of methane in a nanosecond repetitively pulsed discharge: chemical kinetics modeling Type A1 Journal article
  Year 2022 Publication Plasma Sources Science & Technology Abbreviated Journal Plasma Sources Sci T
  Volume 31 Issue 5 Pages 055014
  Keywords (up) A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract Nanosecond pulsed discharge plasma shows a high degree of non-equilibrium, and exhibits relatively high conversions in the dry reforming of methane. To further improve the application, a good insight of the underlying mechanisms is desired. We developed a chemical kinetics model to explore the underlying plasma chemistry in nanosecond pulsed discharge. We compared the calculated conversions and product selectivities with experimental results, and found reasonable agreement in a wide range of specific energy input. Hence, the chemical kinetics model is able to provide insight in the underlying plasma chemistry. The modeling results predict that the most important dissociation reaction of CO<sub>2</sub>and CH<sub>4</sub>is electron impact dissociation. C<sub>2</sub>H<sub>2</sub>is the most abundant hydrocarbon product, and it is mainly formed upon reaction of two CH<sub>2</sub>radicals. Furthermore, the vibrational excitation levels of CO<sub>2</sub>contribute for 85% to the total dissociation of CO<sub>2</sub>.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000797660000001 Publication Date 2022-05-01
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0963-0252 ISBN Additional Links UA library record; WoS full record
  Impact Factor 3.8 Times cited Open Access OpenAccess
  Notes China Scholarship Council; National Natural Science Foundation of China, 11965018 ; This work is supported by the National Natural Science Foundation of China (Grant Nos. 52077026, 11965018), L Zhang was also supported by the China Scholarship Council (CSC). Data availability statement The data that support the findings of this study are available upon reasonable request from the authors. Approved Most recent IF: 3.8
  Call Number PLASMANT @ plasmant @c:irua:188537 Serial 7069
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Author Pattyn, C.; Maira, N.; Buddhadasa, M.; Vervloessem, E.; Iseni, S.; Roy, N.C.; Remy, A.; Delplancke, M.-P.; De Geyter, N.; Reniers, F.
  Title Disproportionation of nitrogen induced by DC plasma-driven electrolysis in a nitrogen atmosphere Type A1 Journal article
  Year 2022 Publication Green Chemistry Abbreviated Journal Green Chem
  Volume 24 Issue 18 Pages 7100-7112
  Keywords (up) A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract Nitrogen disproportionation i.e. its simultaneous conversion to compounds of higher (NOx) and lower (NH3) oxidation states in a N-2 DC plasma-driven electrolysis process with a plasma cathode is investigated. This type of plasma-liquid interaction exhibits a growing interest for many applications, in particular nitrogen fixation where it represents a green alternative to the Haber-Bosch process. Optical emission spectroscopy, FTIR and electrochemical sensing systems are used to characterize the gas phase physico-chemistry while the liquid phase is analyzed via ionic chromatography and colorimetric assays. Experiments suggest that lowering the discharge current enhances nitrogen reduction and facilitates the transfer of nitrogen compounds to the liquid phase. Large amounts of water vapor appear to impact the gas discharge physico-chemistry and to favor the vibrational excitation of N-2, a key parameter for an energy-efficient nitrogen fixation.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000847733600001 Publication Date 2022-08-30
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1463-9262; 1463-9270 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 9.8 Times cited Open Access OpenAccess
  Notes Approved Most recent IF: 9.8
  Call Number UA @ admin @ c:irua:190655 Serial 7145
Permanent link to this record
 

 
Author Andersen, J.A.; Christensen, J.M.; Østberg, M.; Bogaerts, A.; Jensen, A.D.
  Title Plasma-catalytic ammonia decomposition using a packed-bed dielectric barrier discharge reactor Type A1 Journal article
  Year 2022 Publication International Journal Of Hydrogen Energy Abbreviated Journal Int J Hydrogen Energ
  Volume 47 Issue 75 Pages 32081-32091
  Keywords (up) A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract Plasma-catalytic ammonia decomposition as a method for producing hydrogen was studied in a packed-bed dielectric barrier discharge (DBD) reactor at ambient pressure and a fixed plasma power. The influence of packing the plasma zone with various dielectric materials, typically used as catalyst supports, was examined. At conditions (21 W, 75 Nml/min NH3) where an NH3 conversion of 5% was achieved with plasma alone, an improved decomposition was found when introducing dielectric materials with dielectric constants between 4 and 30. Of the tested materials, MgAl2O4 yielded the highest conversion (15.1%). The particle size (0.3-1.4 mm) of the MgAl2O4 packing was found to have a modest influence on the conversion, which dropped from 15.1% to 12.6% with increasing particle size. Impregnation of MgAl2O4 with different metals was found to decrease the NH3 conversion, with the Ni impregnation still showing an improved conversion (7%) compared to plasma-only. The plasma-assisted ammonia decomposition occurs in the gas phase due to micro-discharges, as evident from a linear correlation between the conversion and the frequency of micro-discharges for both plasma alone and with the various solid packing materials. The primary function of the solid is thus to facilitate the gas phase reaction by assisting the creation of micro-discharges. Lastly, insulation of the reactor to raise the temperature to 230 degrees C in the plasma zone was found to have a negative effect on the conversion, as a change from volume discharges to surface discharges occurred. The study shows that NH3 can be decomposed to provide hydrogen by exposure to a non-thermal plasma, but further developments are needed for it to become an energy efficient technology. (C)2022 The Author(s). Published by Elsevier Ltd on behalf of Hydrogen Energy Publications LLC.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000865421200012 Publication Date 2022-08-17
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0360-3199 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 7.2 Times cited Open Access OpenAccess
  Notes Approved Most recent IF: 7.2
  Call Number UA @ admin @ c:irua:191512 Serial 7191
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Author Andersen, Ja.; Holm, Mc.; van 't Veer, K.; Christensen, Jm.; Østberg, M.; Bogaerts, A.; Jensen, Ad.
  Title Plasma-catalytic ammonia synthesis in a dielectric barrier discharge reactor: A combined experimental study and kinetic modeling Type A1 Journal article
  Year 2023 Publication Chemical engineering journal Abbreviated Journal
  Volume 457 Issue Pages 141294
  Keywords (up) A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract Plasma-catalytic ammonia synthesis in a dielectric barrier discharge reactor has emerged as a possible route for electrification of nitrogen fixation. In this study, we use a combination of experiments and a plasma kinetic model to investigate the ammonia synthesis from N2 and H2, both with and without a solid packing material in the plasma zone. The effect of plasma power, feed flow rate, N2:H2 feed ratio, gas residence time, temperature, and packing material (MgAl2O4 alone or impregnated with Co or Ru) on the ammonia synthesis rate were examined in the experiments. The kinetic model was employed to improve our understanding of the ammonia formation pathways and identify possible changes in these pathways when altering the N2:H2 feed ratio. A higher NH3 synthesis rate was achieved when increasing the feed flow rate, as well as when increasing the gas tem-perature from 100 to 200 ◦C when a packing material was present in the plasma. At the elevated temperature of 200 ◦C, an optimum in the NH3 synthesis rate was observed at an equimolar feed ratio (N2:H2 =1:1) for the plasma alone and MgAl2O4, while a N2-rich feed was favored for Ru/MgAl2O4 and Co/MgAl2O4. The optimum in the synthesis rate with the N2-rich feed, where high energy electrons are more likely to collide with N2, suggests that the rate-limiting step is the dissociation of N2 in the gas phase. This is supported by the kinetic model when packing material was used. However, for the plasma alone, the model found that the N2 dissociation is only rate limiting in H2-rich feeds, whereas the limited access to H in N2-rich feeds makes the hydrogenation of N species limiting.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 001058978000001 Publication Date 2023-01-05
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1385-8947 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 15.1 Times cited Open Access OpenAccess
  Notes We thank Topsoe A/S for providing the catalytic materials used in the study, the research group PLASMANT (University of Antwerp) for sharing their plasma kinetic model and allocating time on their cluster for the calculations, and the Department of Chemical and Biochemical Engineering (Technical University of Denmark) for funding the project. Approved Most recent IF: 15.1; 2023 IF: 6.216
  Call Number PLASMANT @ plasmant @c:irua:195877 Serial 7234
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Author Mercer, Er.; Van Alphen, S.; van Deursen, Cf.a.m.; Righart, Tw.h.; Bongers, Wa.; Snyders, R.; Bogaerts, A.; van de Sanden, Mc.m.; Peeters, Fj.j.
  Title Post-plasma quenching to improve conversion and energy efficiency in a CO2 microwave plasma Type A1 Journal article
  Year 2023 Publication Fuel Abbreviated Journal
  Volume 334 Issue Pages 126734
  Keywords (up) A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract Transforming CO2 into value-added chemicals is crucial to realizing a carbon–neutral economy, and plasma-based conversion, a Power-2-X technology, offers a promising route to realizing an efficient and scalable process. This paper investigates the effects of post-plasma placement of a converging–diverging nozzle in a vortex-stabilized 2.45 GHz CO2 microwave plasma reactor to increase energy efficiency and conversion. The CDN leads to a 21 % relative increase in energy efficiency (31 %) and CO2 conversion (13 %) at high flow rates and near-atmospheric conditions. The most significant performance improvement was seen at low flow rates and sub-atmospheric pressure (300 mbar), where energy efficiency was 23 % and conversion was 28 %, a 71 % relative increase over conditions without the CDN. Using CFD simulations, we found that the CDN produces a change in the flow geometry, leading to a confined temperature profile at the height of the plasma, and forced extraction of CO to the post-CDN region.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000891307400008 Publication Date 2022-11-26
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0016-2361 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 7.4 Times cited Open Access OpenAccess
  Notes This research was supported by the European Research Council (ERC) under the European Union’s Horizon 2020 research and innovation program (grant agreement No 810182 – SCOPE ERC Synergy project) and the Excellence of Science FWO-FNRS project (FWO grant ID GoF9618n, EOS ID 30505023). The computational resources and services used in this work were provided by the HPC core facility CalcUA of the Universiteit Antwerpen, and VSC (Flemish Supercomputer Center), funded by the Research Foundation – Flanders (FWO) and the Flemish Government. In addition, this work has been carried out as part of the Plasma Power to Gas research program with reference 15325, which is by the Netherlands Organization for Scientific Research (NWO) and Alliander N.V. Approved Most recent IF: 7.4; 2023 IF: 4.601
  Call Number PLASMANT @ plasmant @c:irua:192784 Serial 7235
Permanent link to this record
 

 
Author Živanić, M.; Espona‐Noguera, A.; Lin, A.; Canal, C.
  Title Current State of Cold Atmospheric Plasma and Cancer‐Immunity Cycle: Therapeutic Relevance and Overcoming Clinical Limitations Using Hydrogels Type A1 Journal article
  Year 2023 Publication Advanced Science Abbreviated Journal Adv Sci
  Volume Issue Pages 2205803
  Keywords (up) A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract Cold atmospheric plasma (CAP) is a partially ionized gas that gains attention

as a well-tolerated cancer treatment that can enhance anti-tumor immune

responses, which are important for durable therapeutic effects. This review

offers a comprehensive and critical summary on the current understanding of

mechanisms in which CAP can assist anti-tumor immunity: induction of

immunogenic cell death, oxidative post-translational modifications of the

tumor and its microenvironment, epigenetic regulation of aberrant gene

expression, and enhancement of immune cell functions. This should provide

a rationale for the effective and meaningful clinical implementation of CAP. As

discussed here, despite its potential, CAP faces different clinical limitations

associated with the current CAP treatment modalities: direct exposure of

cancerous cells to plasma, and indirect treatment through injection of

plasma-treated liquids in the tumor. To this end, a novel modality is proposed:

plasma-treated hydrogels (PTHs) that can not only help overcome some of the

clinical limitations but also offer a convenient platform for combining CAP

with existing drugs to improve therapeutic responses and contribute to the

clinical translation of CAP. Finally, by integrating expertise in biomaterials and

plasma medicine, practical considerations and prospective for the

development of PTHs are offered.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000918224200001 Publication Date 2023-01-20
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2198-3844 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 15.1 Times cited Open Access OpenAccess
  Notes European Research Council, 714793 ; Fonds Wetenschappelijk Onderzoek, 12S9221N G044420N ; Ministerio de Economía y Competitividad, PID2019‐103892RB‐I00/AEI/10.13039/501100011033 ; Approved Most recent IF: 15.1; 2023 IF: 9.034
  Call Number PLASMANT @ plasmant @c:irua:193166 Serial 7238
Permanent link to this record
 

 
Author Eshtehardi, H.A.; van 't Veer, K.; Delplancke, M.-P.; Reniers, F.; Bogaerts, A.
  Title Postplasma Catalytic Model for NO Production: Revealing the Underlying Mechanisms to Improve the Process Efficiency Type A1 Journal article
  Year 2023 Publication ACS Sustainable Chemistry and Engineering Abbreviated Journal
  Volume 11 Issue 5 Pages 1720-1733
  Keywords (up) A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract Plasma catalysis is emerging for plasma-assisted gas conversion processes. However, the underlying mechanisms of plasma catalysis are poorly understood. In this work, we present a 1D heterogeneous catalysis model with axial dispersion (i.e., accounting for back-mixing and molecular diffusion of fluid elements in the process stream in the axial direction), for plasma-catalytic NO production from N2/O2 mixtures. We investigate the concentration and reaction rates of each species formed as a function of time and position across the catalyst, in order to determine the underlying mechanisms. To obtain insights into how the performance of the process can be further improved, we also study how changes in the postplasma gas flow composition entering the catalyst bed and in the operation conditions of the catalytic stage affect the performance of NO production.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000926412800001 Publication Date 2023-02-06
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2168-0485 ISBN Additional Links UA library record; WoS full record
  Impact Factor 8.4 Times cited Open Access OpenAccess
  Notes Fonds Wetenschappelijk Onderzoek, 30505023 GoF9618n ; Fonds De La Recherche Scientifique FNRS, 30505023 GoF9618n ; H2020 European Research Council, 810182 ; Approved Most recent IF: 8.4; 2023 IF: 5.951
  Call Number PLASMANT @ plasmant @c:irua:195377 Serial 7241
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Author Han, I.; Song, I.S.; Choi, S.A.; Lee, T.; Yusupov, M.; Shaw, P.; Bogaerts, A.; Choi, E.H.; Ryu, J.J.
  Title Bioactive Nonthermal Biocompatible Plasma Enhances Migration on Human Gingival Fibroblasts Type A1 Journal article
  Year 2023 Publication Advanced healthcare materials Abbreviated Journal
  Volume 12 Issue 4 Pages 2200527
  Keywords (up) A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract This study hypothesizes that the application of low-dose nonthermal biocompatible dielectric barrier discharge plasma (DBD-NBP) to human gingival fibroblasts (HGFs) will inhibit colony formation but not cell death and induce matrix metalloproteinase (MMP) expression, extracellular matrix (ECM) degradation, and subsequent cell migration, which can result in enhanced wound healing. HGFs treated with plasma for 3 min migrate to each other across the gap faster than those in the control and 5-min treatment groups on days 1 and 3. The plasma-treated HGFs show significantly high expression levels of the cell cycle arrest-related p21 gene and enhanced MMP activity. Focal adhesion kinase (FAK) mediated attenuation of wound healing or actin cytoskeleton rearrangement, and plasma-mediated reversal of this attenuation support the migratory effect of DBD-NBP. Further, this work performs computer simulations to investigate the effect of oxidation on the stability and conformation of the catalytic kinase domain (KD) of FAK. It is found that the oxidation of highly reactive amino acids (AAs) Cys427, Met442, Cys559, Met571, Met617, and Met643 changes the conformation and increases the structural flexibility of the FAK protein and thus modulates its function and activity. Low-dose DBD-NBP-induces host cell cycle arrest, ECM breakdown, and subsequent migration, thus contributing to the enhanced wound healing process.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000897762100001 Publication Date 2022-11-14
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2192-2640 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 10 Times cited Open Access OpenAccess
  Notes National Research Foundation of Korea; Kementerian Pendidikan, 2020R1I1A1A01073071 2021R1A6A1A03038785 ; Approved Most recent IF: 10; 2023 IF: 5.11
  Call Number PLASMANT @ plasmant @c:irua:192804 Serial 7242
Permanent link to this record
 

 
Author Vervloessem, E.; Gromov, M.; De Geyter, N.; Bogaerts, A.; Gorbanev, Y.; Nikiforov, A.
  Title NH3and HNOxFormation and Loss in Nitrogen Fixation from Air with Water Vapor by Nonequilibrium Plasma Type A1 Journal article
  Year 2023 Publication ACS Sustainable Chemistry and Engineering Abbreviated Journal
  Volume 11 Issue 10 Pages 4289-4298
  Keywords (up) A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract The current global energy crisis indicated that increasing our

insight into nonfossil fuel nitrogen fixation pathways for synthetic fertilizer

production is more crucial than ever. Nonequilibrium plasma is a good candidate

because it can use N2 or air as a N source and water directly as a H source, instead

of H2 or fossil fuel (CH4). In this work, we investigate NH3 gas phase formation

pathways from humid N2 and especially humid air up to 2.4 mol % H2O (100%

relative humidity at 20 °C) by optical emission spectroscopy and Fouriertransform

infrared spectroscopy. We demonstrate that the nitrogen fixation

capacity is increased when water vapor is added, as this enables HNO2 and NH3

production in both N2 and air. However, we identified a significant loss

mechanism for NH3 and HNO2 that occurs in systems where these species are

synthesized simultaneously; i.e., downstream from the plasma, HNO2 reacts with NH3 to form NH4NO2, which rapidly decomposes

into N2 and H2O. We also discuss approaches to prevent this loss mechanism, as it reduces the effective nitrogen fixation when not

properly addressed and therefore should be considered in future works aimed at optimizing plasma-based N2 fixation. In-line removal

of HNO2 or direct solvation in liquid are two proposed strategies to suppress this loss mechanism. Indeed, using liquid H2O is

beneficial for accumulation of the N2 fixation products. Finally, in humid air, we also produce NH4NO3, from the reaction of HNO3

with NH3, which is of direct interest for fertilizer application.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000953337700001 Publication Date 2023-03-13
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2168-0485 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 8.4 Times cited Open Access OpenAccess
  Notes This research is supported by the Excellence of Science FWOFNRS project (NITROPLASM, FWO grant ID GoF9618n, EOS ID 30505023), the European Research Council (ERC) under the European Union’s Horizon 2020 research and innovation program (grant No. 810182 − SCOPE ERC Synergy project), and the Fund for Scientific Research (FWO) Flanders Bioeconomy project (grant No. G0G2322N), funded by the European Union-NextGenerationEU. Approved Most recent IF: 8.4; 2023 IF: 5.951
  Call Number PLASMANT @ plasmant @c:irua:195878 Serial 7254
Permanent link to this record
 

 
Author Eshtehardi, H.A.; Van ‘t Veer, K.; Delplancke, M.-P.; Reniers, F.; Bogaerts, A.
  Title Postplasma Catalytic Model for NO Production: Revealing the Underlying Mechanisms to Improve the Process Efficiency Type A1 Journal article
  Year 2023 Publication ACS Sustainable Chemistry and Engineering Abbreviated Journal
  Volume 11 Issue 5 Pages 1720-1733
  Keywords (up) A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract Plasma catalysis is emerging for plasma-assisted gas conversion

processes. However, the underlying mechanisms of plasma catalysis are poorly

understood. In this work, we present a 1D heterogeneous catalysis model with axial

dispersion (i.e., accounting for back-mixing and molecular diffusion of fluid elements in

the process stream in the axial direction), for plasma-catalytic NO production from

N2/O2 mixtures. We investigate the concentration and reaction rates of each species

formed as a function of time and position across the catalyst, in order to determine the

underlying mechanisms. To obtain insights into how the performance of the process

can be further improved, we also study how changes in the postplasma gas flow

composition entering the catalyst bed and in the operation conditions of the catalytic

stage affect the performance of NO production.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000926412800001 Publication Date 2023-02-06
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2168-0485 ISBN Additional Links UA library record; WoS full record
  Impact Factor 8.4 Times cited Open Access OpenAccess
  Notes This research was supported by the Excellence of Science FWO-FNRS project (FWO grant ID GoF9618n, EOS ID 30505023) and the European Research Council (ERC) under the European Union’s Horizon 2020 research and innovation programme (grant agreement No. 810182 − SCOPE ERC Synergy project). The calculations were performed using the Turing HPC infrastructure at the CalcUA core facility of the Universiteit Antwerpen (UAntwerpen), a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government (department EWI) and the UAntwerpen. Approved Most recent IF: 8.4; 2023 IF: 5.951
  Call Number PLASMANT @ plasmant @c:irua:195377 Serial 7257
Permanent link to this record
 

 
Author Eshtehardi, H.A.; Van ‘t Veer, K.; Delplancke, M.-P.; Reniers, F.; Bogaerts, A.
  Title Postplasma Catalytic Model for NO Production: Revealing the Underlying Mechanisms to Improve the Process Efficiency Type A1 Journal article
  Year 2023 Publication ACS Sustainable Chemistry and Engineering Abbreviated Journal
  Volume 11 Issue 5 Pages 1720-1733
  Keywords (up) A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract Plasma catalysis is emerging for plasma-assisted gas conversion

processes. However, the underlying mechanisms of plasma catalysis are poorly

understood. In this work, we present a 1D heterogeneous catalysis model with axial

dispersion (i.e., accounting for back-mixing and molecular diffusion of fluid elements in

the process stream in the axial direction), for plasma-catalytic NO production from

N2/O2 mixtures. We investigate the concentration and reaction rates of each species

formed as a function of time and position across the catalyst, in order to determine the

underlying mechanisms. To obtain insights into how the performance of the process

can be further improved, we also study how changes in the postplasma gas flow

composition entering the catalyst bed and in the operation conditions of the catalytic

stage affect the performance of NO production.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000926412800001 Publication Date 2023-02-06
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2168-0485 ISBN Additional Links UA library record; WoS full record
  Impact Factor 8.4 Times cited Open Access OpenAccess
  Notes Fonds Wetenschappelijk Onderzoek, 30505023 GoF9618n ; Fonds De La Recherche Scientifique – FNRS, 30505023 GoF9618n ; H2020 European Research Council, 810182 ; Approved Most recent IF: 8.4; 2023 IF: 5.951
  Call Number PLASMANT @ plasmant @c:irua:195377 Serial 7258
Permanent link to this record
 

 
Author Lu, X.P.; Bruggeman, P.J.; Reuter, S.; Naidis, G.; Bogaerts, A.; Laroussi, M.; Keidar, M.; Robert, E.; Pouvesle, J.-M.; Liu, D.W.; Ostrikov, K.(K.)
  Title Grand challenges in low temperature plasmas Type A1 Journal article
  Year 2022 Publication Frontiers in physics Abbreviated Journal
  Volume 10 Issue Pages 1040658-12
  Keywords (up) A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract Low temperature plasmas (LTPs) enable to create a highly reactive environment at near ambient temperatures due to the energetic electrons with typical kinetic energies in the range of 1 to 10 eV (1 eV = 11600K), which are being used in applications ranging from plasma etching of electronic chips and additive manufacturing to plasma-assisted combustion. LTPs are at the core of many advanced technologies. Without LTPs, many of the conveniences of modern society would simply not exist. New applications of LTPs are continuously being proposed. Researchers are facing many grand challenges before these new applications can be translated to practice. In this paper, we will discuss the challenges being faced in the field of LTPs, in particular for atmospheric pressure plasmas, with a focus on health, energy and sustainability.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000878212000001 Publication Date 2022-10-14
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2296-424x ISBN Additional Links UA library record; WoS full record
  Impact Factor 3.1 Times cited Open Access OpenAccess
  Notes Approved Most recent IF: 3.1
  Call Number UA @ admin @ c:irua:192173 Serial 7267
Permanent link to this record
 

 
Author Chernozem, R., V; Romanyuk, K.N.; Grubova, I.; Chernozem, P., V.; Surmeneva, M.A.; Mukhortova, Y.R.; Wilhelm, M.; Ludwig, T.; Mathur, S.; Kholkin, A.L.; Neyts, E.; Parakhonskiy, B.; Skirtach, A.G.; Surmenev, R.A.
  Title Enhanced piezoresponse and surface electric potential of hybrid biodegradable polyhydroxybutyrate scaffolds functionalized with reduced graphene oxide for tissue engineering Type A1 Journal article
  Year 2021 Publication Nano Energy Abbreviated Journal Nano Energy
  Volume 89 Issue B Pages 106473
  Keywords (up) A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract Piezoelectricity is considered to be one of the key functionalities in biomaterials to boost bone tissue regeneration, however, integrating biocompatibility, biodegradability and 3D structure with pronounced piezoresponse remains a material challenge. Herein, novel hybrid biocompatible 3D scaffolds based on biodegradable poly(3-hydroxybutyrate) (PHB) and reduced graphene oxide (rGO) flakes have been developed. Nanoscale insights revealed a more homogenous distribution and superior surface potential values of PHB fibers (33 +/- 29 mV) with increasing rGO content up to 1.0 wt% (314 +/- 31 mV). The maximum effective piezoresponse was detected at 0.7 wt% rGO content, demonstrating 2.5 and 1.7 times higher out-of-plane and in-plane values, respectively, than that for pure PHB fibers. The rGO addition led to enhanced zigzag chain formation between paired lamellae in PHB fibers. In contrast, a further increase in rGO content reduced the alpha-crystal size and prevented zigzag chain conformation. A corresponding model explaining structural and molecular changes caused by rGO addition in electrospun PHB fibers is proposed. In addition, finite element analysis revealed a negligible vertical piezoresponse compared to lateral piezoresponse in uniaxially oriented PHB fibers based on alpha-phase (P2(1)2(1)2(1) space group). Thus, the present study demonstrates promising results for the development of biodegradable hybrid 3D scaffolds with an enhanced piezoresponse for various tissue engineering applications.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000703592700002 Publication Date 2021-08-31
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2211-2855 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 12.343 Times cited Open Access Not_Open_Access
  Notes Approved Most recent IF: 12.343
  Call Number UA @ admin @ c:irua:182579 Serial 7914
Permanent link to this record
 

 
Author Tchakoua, T.; Powell, A.D.; Gerrits, N.; Somers, M.F.; Doblhoff-Dier, K.; Busnengo, H.F.; Kroes, G.-J.
  Title Simulating highly activated sticking of H₂ on Al(110) : quantum versus quasi-classical dynamics Type A1 Journal article
  Year 2023 Publication The journal of physical chemistry: C : nanomaterials and interfaces Abbreviated Journal
  Volume 127 Issue 11 Pages 5395-5407
  Keywords (up) A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract We evaluate the importance of quantum effects on the sticking of H2 on Al(110) for conditions that are close to those of molecular beam experiments that have been done on this system. Calculations with the quasi-classical trajectory (QCT) method and with quantum dynamics (QD) are performed using a model in which only motion in the six molecular degrees of freedom is allowed. The potential energy surface used has a minimum barrier height close to the value recently obtained with the quantum Monte Carlo method. Monte Carlo averaging over the initial rovibrational states allowed the QD calculations to be done with an order of magnitude smaller computational expense. The sticking probability curve computed with QD is shifted to lower energies relative to the QCT curve by 0.21 to 0.05 kcal/mol, with the highest shift obtained for the lowest incidence energy. Quantum effects are therefore expected to play a small role in calculations that would evaluate the accuracy of electronic structure methods for determining the minimum barrier height to dissociative chemisorption for H2 + Al(110) on the basis of the standard procedure for comparing results of theory with molecular beam experiments.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000971346700001 Publication Date 2023-03-14
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1932-7447; 1932-7455 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 3.7 Times cited Open Access OpenAccess
  Notes Approved Most recent IF: 3.7; 2023 IF: 4.536
  Call Number UA @ admin @ c:irua:196071 Serial 8525
Permanent link to this record
 

 
Author Salden, A.; Budde, M.; Garcia-Soto, C.A.; Biondo, O.; Barauna, J.; Faedda, M.; Musig, B.; Fromentin, C.; Nguyen-Quang, M.; Philpott, H.; Hasrack, G.; Aceto, D.; Cai, Y.; Jury, F.A.; Bogaerts, A.; Da Costa, P.; Engeln, R.; Galvez, M.E.; Gans, T.; Garcia, T.; Guerra, V.; Henriques, C.; Motak, M.; Navarro, M.V.; Parvulescu, V.I.; Van Rooij, G.; Samojeden, B.; Sobota, A.; Tosi, P.; Tu, X.; Guaitella, O.
  Title Meta-analysis of CO₂ conversion, energy efficiency, and other performance data of plasma-catalysis reactors with the open access PIONEER database Type A1 Journal article
  Year 2023 Publication Journal of energy chemistry Abbreviated Journal
  Volume 86 Issue Pages 318-342
  Keywords (up) A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract This paper brings the comparison of performances of CO2 conversion by plasma and plasma-assisted catalysis based on the data collected from literature in this field, organised in an open access online data-base. This tool is open to all users to carry out their own analyses, but also to contributors who wish to add their data to the database in order to improve the relevance of the comparisons made, and ultimately to improve the efficiency of CO2 conversion by plasma-catalysis. The creation of this database and data-base user interface is motivated by the fact that plasma-catalysis is a fast-growing field for all CO2 con-version processes, be it methanation, dry reforming of methane, methanolisation, or others. As a result of this rapid increase, there is a need for a set of standard procedures to rigorously compare performances of different systems. However, this is currently not possible because the fundamental mechanisms of plasma-catalysis are still too poorly understood to define these standard procedures. Fortunately how-ever, the accumulated data within the CO2 plasma-catalysis community has become large enough to war-rant so-called “big data” studies more familiar in the fields of medicine and the social sciences. To enable comparisons between multiple data sets and make future research more effective, this work proposes the first database on CO2 conversion performances by plasma-catalysis open to the whole community. This database has been initiated in the framework of a H2020 European project and is called the “PIONEER DataBase”. The database gathers a large amount of CO2 conversion performance data such as conversion rate, energy efficiency, and selectivity for numerous plasma sources coupled with or without a catalyst. Each data set is associated with metadata describing the gas mixture, the plasma source, the nature of the catalyst, and the form of coupling with the plasma. Beyond the database itself, a data extraction tool with direct visualisation features or advanced filtering functionalities has been developed and is available online to the public. The simple and fast visualisation of the state of the art puts new results into context, identifies literal gaps in data, and consequently points towards promising research routes. More advanced data extraction illustrates the impact that the database can have in the understanding of plasma-catalyst coupling. Lessons learned from the review of a large amount of literature during the setup of the database lead to best practice advice to increase comparability between future CO2 plasma-catalytic studies. Finally, the community is strongly encouraged to contribute to the database not only to increase the visibility of their data but also the relevance of the comparisons allowed by this tool. (c) 2023 Science Press and Dalian Institute of Chemical Physics, Chinese Academy of Sciences. Published by ELSEVIER B.V. and Science Press. This is an open access article under the CC BY license (http://creati- vecommons.org/licenses/by/4.0/).
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 001083545900001 Publication Date 2023-08-10
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2095-4956 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 13.1 Times cited Open Access
  Notes Approved Most recent IF: 13.1; 2023 IF: 2.594
  Call Number UA @ admin @ c:irua:200416 Serial 9056
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Author Osorio-Tejada, J.; Escriba-Gelonch, M.; Vertongen, R.; Bogaerts, A.; Hessel, V.
  Title CO₂ conversion to CO via plasma and electrolysis : a techno-economic and energy cost analysis Type A1 Journal article
  Year 2024 Publication Energy & environmental science Abbreviated Journal
  Volume Issue Pages
  Keywords (up) A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract Electrification and carbon capture technologies are essential for achieving net-zero emissions in the chemical sector. A crucial strategy involves converting captured CO2 into CO, a valuable chemical feedstock. This study evaluates the feasibility of two innovative methods: plasma activation and electrolysis, using clean electricity and captured CO2. Specifically, it compares a gliding arc plasma reactor with an embedded novel carbon bed system to a modern zero-gap type low-temperature electrolyser. The plasma method stood out with an energy cost of 19.5 GJ per tonne CO, marking a 43% reduction compared to electrolysis and conventional methods. CO production costs for plasma- and electrolysis-based plants were $671 and $962 per tonne, respectively. However, due to high uncertainty regarding electrolyser costs, the CO production costs in electrolysis-based plants may actually range from $570 to $1392 per tonne. The carbon bed system in the plasma method was a key factor in facilitating additional CO generation from O-2 and enhancing CO2 conversion, contributing to its cost-effectiveness. Challenges for electrolysis included high costs of equipment and low current densities. Addressing these limitations could significantly decrease production costs, but challenges arise from the mutual relationship between intrinsic parameters, such as CO2 conversion, CO2 input flow, or energy cost. In a future scenario with affordable feedstocks and equipment, costs could drop below $500 per tonne for both methods. While this may be more challenging for electrolysis due to complexity and expensive catalysts, plasma-based CO production appears more viable and competitive.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 001218045900001 Publication Date 2024-05-06
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1754-5692; 1754-5706 ISBN Additional Links UA library record; WoS full record
  Impact Factor 32.5 Times cited Open Access
  Notes Approved Most recent IF: 32.5; 2024 IF: 29.518
  Call Number UA @ admin @ c:irua:205986 Serial 9138
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Author Manaigo, F.; Bahnamiri, O.S.; Chatterjee, A.; Panepinto, A.; Krumpmann, A.; Michiels, M.; Bogaerts, A.; Snyders, R.
  Title Electrical stability and performance of a nitrogen-oxygen atmospheric pressure gliding arc plasma Type A1 Journal article
  Year 2024 Publication ACS Sustainable Chemistry and Engineering Abbreviated Journal
  Volume 12 Issue 13 Pages 5211-5219
  Keywords (up) A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract Nonthermal plasmas are currently being studied as a green alternative to the Haber-Bosch process, which is, today, the dominant industrial process allowing for the fixation of nitrogen and, as such, a fundamental component for the production of nitrogen-based industrial fertilizers. In this context, the gliding arc plasma (GAP) is considered a promising choice among nonthermal plasma options. However, its stability is still a key parameter to ensure industrial transfer of the technology. Nowadays, the conventional approach to stabilize this plasma process is to use external resistors. Although this indeed allows for an enhancement of the plasma stability, very little is reported about how it impacts the process efficiency, both in terms of NOx yield and energy cost. In this work, this question is specifically addressed by studying a DC-powered GAP utilized for nitrogen fixation into NOx at atmospheric pressure stabilized by variable external resistors. Both the performance and the stability of the plasma are reported as a function of the utilization of the resistors. The results confirm that while the use of a resistor indeed allows for a strong stabilization of the plasma without impacting the NOx yield, especially at high plasma current, it dramatically impacts the energy cost of the process, which increases from 2.82 to 7.9 MJ/mol. As an alternative approach, we demonstrate that the replacement of the resistor by an inductor is promising since it allows for decent stabilization of the plasma, while it does not affect either the energy cost of the process or the NOx yield.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 001186347900001 Publication Date 2024-03-16
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2168-0485 ISBN Additional Links UA library record; WoS full record
  Impact Factor 8.4 Times cited Open Access
  Notes Approved Most recent IF: 8.4; 2024 IF: 5.951
  Call Number UA @ admin @ c:irua:204774 Serial 9146
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Author Tsonev, I.; Ahmadi Eshtehardi, H.; Delplancke, M.-P.; Bogaerts, A.
  Title Importance of geometric effects in scaling up energy-efficient plasma-based nitrogen fixation Type A1 Journal article
  Year 2024 Publication Sustainable energy & fuels Abbreviated Journal
  Volume Issue Pages 1-19
  Keywords (up) A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract Despite the recent promising potential of plasma-based nitrogen fixation, the technology faces significant challenges in efficient upscaling. To tackle this challenge, we investigate two reactors, i.e., a small one, operating in a flow rate range of 5-20 ln min-1 and current range of 200-500 mA, and a larger one, operating at higher flow rate (100-300 ln min-1) and current (400-1000 mA). Both reactors operate in a pin-to-pin configuration and are powered by direct current (DC) from the same power supply unit, to allow easy comparison and evaluate the effect of upscaling. In the small reactor, we achieve the lowest energy cost (EC) of 2.8 MJ mol-1, for a NOx concentration of 1.72%, at a flow rate of 20 ln min-1, yielding a production rate (PR) of 33 g h-1. These values are obtained in air; in oxygen-enriched air, the results are typically better, at the cost of producing oxygen-enriched air. In the large reactor, the higher flow rates reduce the NOx concentration due to lower SEI, while maintaining a similar EC. This stresses the important effect of the geometrical configuration of the arc, which is typically concentrated in the center of the reactor, resulting in limited coverage of the reacting gas flow, and this is identified as the limiting factor for upscaling. However, our experiments reveal that by changing the reactor configuration, and thus the plasma geometry and power deposition mechanisms, the amount of gas treated by the plasma can be enhanced, leading to successful upscaling. To obtain more insights in our experiments, we performed thermodynamic equilibrium calculations. First of all, they show that our measured lowest EC closely aligns with the calculated minimum thermodynamic equilibrium at atmospheric pressure. In addition, they reveal that the limited NOx production in the large reactor results from the contracted nature of the plasma. To solve this limitation, we let the large reactor operate in so-called torch configuration. Indeed, the latter enhances the NOx concentrations compared to the pin-to-pin configuration, yielding a PR of 80 g h-1 at an EC of 2.9 MJ mol-1 and NOx concentration of 0.31%. This illustrates the importance of reactor design in upscaling. With the focus on feasibility evaluation of scaling-up plasma-based nitrogen fixation by combined experiments and thermodynamic modelling, we aim to tackle the challenge of design and development of an energy-efficient and scaled-up plasma reactor.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 001203657700001 Publication Date 2024-04-11
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN ISBN Additional Links UA library record; WoS full record
  Impact Factor Times cited Open Access
  Notes Approved Most recent IF: NA
  Call Number UA @ admin @ c:irua:205435 Serial 9155
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