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  Author Title Year Publication Volume Times cited Additional Links Links
Khalilov, U.; Bogaerts, A.; Hussain, S.; Kovacevic, E.; Brault, P.; Boulmer-Leborgne, C.; Neyts, E.C. Nanoscale mechanisms of CNT growth and etching in plasma environment 2017 Journal of physics: D: applied physics 50 6 UA library record; WoS full record; WoS citing articles pdf url doi
Neyts, E.C.; Brault, P. Molecular Dynamics Simulations for Plasma-Surface Interactions: Molecular Dynamics Simulations… 2017 Plasma processes and polymers 14 13 UA library record; WoS full record; WoS citing articles pdf url doi
Bruggeman, P.J.; Kushner, M.J.; Locke, B.R.; Gardeniers, J.G.E.; Graham, W.G.; Graves, D.B.; Hofman-Caris, R.C.H.M.; Maric, D.; Reid, J.P.; Ceriani, E.; Fernandez Rivas, D.; Foster, J.E.; Garrick, S.C.; Gorbanev, Y.; Hamaguchi, S.; Iza, F.; Jablonowski, H.; Klimova, E.; Kolb, J.; Krcma, F.; Lukes, P.; Machala, Z.; Marinov, I.; Mariotti, D.; Mededovic Thagard, S.; Minakata, D.; Neyts, E.C.; Pawlat, J.; Petrovic, Z.L.; Pflieger, R.; Reuter, S.; Schram, D.C.; Schröter, S.; Shiraiwa, M.; Tarabová, B.; Tsai, P.A.; Verlet, J.R.R.; von Woedtke, T.; Wilson, K.R.; Yasui, K.; Zvereva, G. Plasma–liquid interactions: a review and roadmap 2016 Plasma sources science and technology 25 460 UA library record; WoS full record; WoS citing articles url doi
Kovács, A.; Janssens, N.; Mielants, M.; Cornet, I.; Neyts, E.C.; Billen, P. Biocatalyzed vinyl laurate transesterification in natural deep eutectic solvents 2023 Waste and biomass valorization UA library record; WoS full record; WoS citing articles pdf doi
Yusupov, M.; Neyts, E.C.; Verlackt, C.C.; Khalilov, U.; van Duin, A.C.T.; Bogaerts, A. Inactivation of the endotoxic biomolecule lipid A by oxygen plasma species : a reactive molecular dynamics study 2015 Plasma processes and polymers 12 18 UA library record; WoS full record; WoS citing articles pdf url doi
Faraji, F.; Neyts, E.C.; Milošević, M.V.; Peeters, F.M. Capillary Condensation of Water in Graphene Nanocapillaries 2024 Nano Letters 24 pdf doi
Khalilov, U.; Pourtois, G.; van Duin, A.C.T.; Neyts, E.C. Self-limiting oxidation in small-diameter Si nanowires 2012 Chemistry of materials 24 45 UA library record; WoS full record; WoS citing articles doi
Dabaghmanesh, S.; Sarmadian, N.; Neyts, E.C.; Partoens, B. A first principles study of p-type defects in LaCrO3 2017 Physical chemistry, chemical physics 19 16 UA library record; WoS full record; WoS citing articles url doi
Khalilov, U.; Bogaerts, A.; Neyts, E.C. Atomic-scale mechanisms of plasma-assisted elimination of nascent base-grown carbon nanotubes 2017 Carbon 118 2 UA library record; WoS full record; WoS citing articles pdf url doi
Neyts, E.C.; Ostrikov, K.; Han, Z.J.; Kumar, S.; van Duin, A.C.T.; Bogaerts, A. Defect healing and enhanced nucleation of carbon nanotubes by low-energy ion bombardment 2013 Physical review letters 110 50 UA library record; WoS full record; WoS citing articles url doi
Jafarzadeh, A.; Bal, K.M.; Bogaerts, A.; Neyts, E.C. CO2 activation on TiO2-supported Cu5 and Ni5 nanoclusters : effect of plasma-induced surface charging 2019 The journal of physical chemistry: C : nanomaterials and interfaces 123 4 UA library record; WoS full record; WoS citing articles pdf url doi
Huygh, S.; Neyts, E.C. Adsorption of C and CHx radicals on anatase (001) and the influence of oxygen vacancies 2015 The journal of physical chemistry: C : nanomaterials and interfaces 119 13 UA library record; WoS full record; WoS citing articles pdf url doi
Somers, W.; Bogaerts, A.; van Duin, A.C.T.; Neyts, E.C. Plasma species interacting with nickel surfaces : toward an atomic scale understanding of plasma-catalysis 2012 The journal of physical chemistry: C : nanomaterials and interfaces 116 37 UA library record; WoS full record; WoS citing articles pdf doi
Huygh, S.; Bogaerts, A.; Neyts, E.C. How Oxygen Vacancies Activate CO2 Dissociation on TiO2 Anatase (001) 2016 The journal of physical chemistry: C : nanomaterials and interfaces 120 49 UA library record; WoS full record; WoS citing articles pdf url doi
Yusupov, M.; Neyts, E.C.; Simon, P.; Berdiyorov, G.; Snoeckx, R.; van Duin, A.C.T.; Bogaerts, A. Reactive molecular dynamics simulations of oxygen species in a liquid water layer of interest for plasma medicine 2014 Journal of physics: D: applied physics 47 51 UA library record; WoS full record; WoS citing articles pdf doi
Khalilov, U.; Pourtois, G.; Bogaerts, A.; van Duin, A.C.T.; Neyts, E.C. Reactive molecular dynamics simulations on SiO2-coated ultra-small Si-nanowires 2013 Nanoscale 5 17 UA library record; WoS full record; WoS citing articles pdf doi
Khosravian, N.; Bogaerts, A.; Huygh, S.; Yusupov, M.; Neyts, E.C. How do plasma-generated OH radicals react with biofilm components? Insights from atomic scale simulations 2015 Biointerphases 10 10 UA library record; WoS full record; WoS citing articles url doi
Eckert, M.; Neyts, E.; Bogaerts, A. Differences between ultrananocrystalline and nanocrystalline diamond growth: theoretical investigation of CxHy species at diamond step edges 2010 Crystal growth & design 10 11 UA library record; WoS full record; WoS citing articles doi
Neyts, E.C.; Bal, K.M. Effect of electric fields on plasma catalytic hydrocarbon oxidation from atomistic simulations 2017 Plasma processes and polymers 14 2 UA library record; WoS full record; WoS citing articles pdf doi
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. Reactive plasma cleaning and restoration of transition metal dichalcogenide monolayers 2021 npj 2D Materials and Applications 5 UA library record; WoS full record; WoS citing articles url doi
Engelmann, Y.; Mehta, P.; Neyts, E.C.; Schneider, W.F.; Bogaerts, A. Predicted Influence of Plasma Activation on Nonoxidative Coupling of Methane on Transition Metal Catalysts 2020 Acs Sustainable Chemistry & Engineering 8 UA library record; WoS full record; WoS citing articles pdf url doi
Khalilov, U.; Bogaerts, A.; Neyts, E.C. Toward the Understanding of Selective Si Nano-Oxidation by Atomic Scale Simulations 2017 Accounts of chemical research 50 5 UA library record; WoS full record; WoS citing articles pdf url doi
Heyne, M.H.; de Marneffe, J.-F.; Nuytten, T.; Meersschaut, J.; Conard, T.; Caymax, M.; Radu, I.; Delabie, A.; Neyts, E.C.; De Gendt, S. The conversion mechanism of amorphous silicon to stoichiometric WS2 2018 Journal of materials chemistry C : materials for optical and electronic devices 6 4 UA library record; WoS full record; WoS citing articles pdf url doi
Nematollahi, P.; Neyts, E.C. Direct methane conversion to methanol on M and MN4 embedded graphene (M = Ni and Si): a comparative DFT study 2019 Applied surface science 496 2 UA library record; WoS full record; WoS citing articles pdf doi
Khalilov, U.; Pourtois, G.; van Duin, A.C.T.; Neyts, E.C. On the c-Si\mid a-SiO2 interface in hyperthermal Si oxidation at room temperature 2012 The journal of physical chemistry: C : nanomaterials and interfaces 116 27 UA library record; WoS full record; WoS citing articles doi
Fukuhara, S.; Bal, K.M.; Neyts, E.C.; Shibuta, Y. Entropic and enthalpic factors determining the thermodynamics and kinetics of carbon segregation from transition metal nanoparticles 2021 Carbon 171 UA library record; WoS full record; WoS citing articles pdf url doi
Neyts, E.C.; van Duin, A.C.T.; Bogaerts, A. Changing chirality during single-walled carbon nanotube growth : a reactive molecular dynamics/Monte Carlo study 2011 Journal of the American Chemical Society 133 116 UA library record; WoS full record; WoS citing articles pdf doi
Bal, K.M.; Neyts, E.C. Merging Metadynamics into Hyperdynamics: Accelerated Molecular Simulations Reaching Time Scales from Microseconds to Seconds 2015 Journal of chemical theory and computation 11 41 UA library record; WoS full record; WoS citing articles pdf url doi
Heyne, M.H.; de Marneffe, J.-F.; Radu, I.; Neyts, E.C.; De Gendt, S. Thermal recrystallization of short-range ordered WS2 films 2018 Journal of vacuum science and technology: A: vacuum surfaces and films 36 2 UA library record; WoS full record; WoS citing articles pdf doi
Neyts, E.C.; Bogaerts, A. Formation of endohedral Ni@C60 and exohedral NiC60 metallofullerene complexes by simulated ion implantation 2009 Carbon 47 15 UA library record; WoS full record; WoS citing articles doi
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