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  Author Title Year Publication (up) Volume Times cited Additional Links Links
Neyts, E.; Tacq, M.; Bogaerts, A. Reaction mechanisms of low-kinetic energy hydrocarbon radicals on typical hydrogenated amorphous carbon (a-C:H) sites: a molecular dynamics study 2006 Diamond and related materials 15 18 UA library record; WoS full record; WoS citing articles doi
Neyts, E.C.; Bogaerts, A. Modeling the growth of SWNTs and graphene on the atomic scale 2012 ECS transactions 45 2 UA library record; WoS full record; WoS citing articles doi
Cassimon, J.; Kovács, A.; Neyts, E.; Cornet, I.; Billen, P. Deacetylation of mannosylerythritol lipids in hydrophobic natural deep eutectic solvents 2023 European journal of organic chemistry 27 UA library record pdf doi
Neyts, E.C. The role of ions in plasma catalytic carbon nanotube growth : a review 2015 Frontiers of Chemical Science and Engineering 9 8 UA library record; WoS full record; WoS citing articles pdf doi
Neyts, E.C. Atomistic simulations of plasma catalytic processes 2018 Frontiers of Chemical Science and Engineering 12 5 UA library record; WoS full record; WoS citing articles pdf doi
Brault, P.; Chamorro-Coral, W.; Chuon, S.; Caillard, A.; Bauchire, J.-M.; Baranton, S.; Coutanceau, C.; Neyts, E. Molecular dynamics simulations of initial Pd and PdO nanocluster growth in a magnetron gas aggregation source 2019 Frontiers of Chemical Science and Engineering 13 3 UA library record; WoS full record; WoS citing articles pdf doi
Neyts, E.C. Special Issue on future directions in plasma nanoscience 2019 Frontiers of Chemical Science and Engineering 13 UA library record; WoS full record; WoS citing articles pdf doi
Neyts, E.; Bogaerts, A.; van de Sanden, M.C.M. Modeling PECVD growth of nanostructured carbon materials 2009 High temperature material processes 13 UA library record; WoS full record; WoS citing articles doi
Bogaerts, A.; de Bleecker, K.; Georgieva, V.; Herrebout, D.; Kolev, I.; Madani, M.; Neyts, E. Numerical modeling for a better understanding of gas discharge plasmas 2005 High temperature material processes 9 1 UA library record; WoS full record; WoS citing articles doi
Khalilov, U.; Uljayev, U.; Mehmonov, K.; Nematollahi, P.; Yusupov, M.; Neyts, E.C.; Neyts, E.C. Can endohedral transition metals enhance hydrogen storage in carbon nanotubes? 2024 International journal of hydrogen energy 55 UA library record; WoS full record; WoS citing articles pdf doi
Gou, F.; Neyts, E.; Eckert, M.; Tinck, S.; Bogaerts, A. Molecular dynamics simulations of Cl+ etching on a Si(100) surface 2010 Journal of applied physics 107 15 UA library record; WoS full record; WoS citing articles doi
Neyts, E.; Yan, M.; Bogaerts, A.; Gijbels, R. Particle-in-cell/Monte Carlo simulations of a low-pressure capacitively coupled radio-frequency discharge: effect of adding H2 to an Ar discharge 2003 Journal of applied physics 93 15 UA library record; WoS full record; WoS citing articles doi
Neyts, E.; Bogaerts, A.; van de Sanden, M.C.M. Unraveling the deposition mechanism in a-C:H thin-film growth: a molecular-dynamics study for the reaction behavior of C3 and C3H radicals with a-C:H surfaces 2006 Journal of applied physics 99 25 UA library record; WoS full record; WoS citing articles doi
Bal, K.M.; Fukuhara, S.; Shibuta, Y.; Neyts, E.C. Free energy barriers from biased molecular dynamics simulations 2020 Journal Of Chemical Physics 153 UA library record; WoS full record; WoS citing articles pdf url doi
Bal, K.M.; Neyts, E.C. Extending and validating bubble nucleation rate predictions in a Lennard-Jones fluid with enhanced sampling methods and transition state theory 2022 Journal Of Chemical Physics 157 UA library record; WoS full record; WoS citing articles url doi
Neyts, E.C.; Thijsse, B.J.; Mees, M.J.; Bal, K.M.; Pourtois, G. Establishing uniform acceptance in force biased Monte Carlo simulations 2012 Journal of chemical theory and computation 8 20 UA library record; WoS full record; WoS citing articles 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
Berdiyorov, G.R.; Khalilov, U.; Hamoudi, H.; Neyts, E.C. Effect of chemical modification on electronic transport properties of carbyne 2021 Journal Of Computational Electronics UA library record; WoS full record; WoS citing articles url doi
Heyne, M.H.; Chiappe, D.; Meersschaut, J.; Nuytten, T.; Conard, T.; Bender, H.; Huyghebaert, C.; Radu, I.P.; Caymax, M.; de Marneffe, J.F.; Neyts, E.C.; De Gendt, S.; Multilayer MoS2 growth by metal and metal oxide sulfurization 2016 Journal of materials chemistry C : materials for optical and electronic devices 4 UA library record; WoS full record; WoS citing articles 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
Kovács, A.; Yusupov, M.; Cornet, I.; Billen, P.; Neyts, E.C. Effect of natural deep eutectic solvents of non-eutectic compositions on enzyme stability 2022 Journal Of Molecular Liquids 366 UA library record; WoS full record pdf doi
Nematollahi, P.; Neyts, E.C. Distribution pattern of metal atoms in bimetal-doped pyridinic-N₄ pores determines their potential for electrocatalytic N₂ reduction 2022 Journal Of Physical Chemistry A 126 UA library record; WoS full record pdf url doi
Huygh, S.; Bogaerts, A.; Bal, K.M.; Neyts, E.C. High Coke Resistance of a TiO2Anatase (001) Catalyst Surface during Dry Reforming of Methane 2018 Journal Of Physical Chemistry C 122 1 UA library record; WoS full record; WoS citing articles pdf url doi
Jafarzadeh, A.; Bal, K.M.; Bogaerts, A.; Neyts, E.C. Activation of CO2on Copper Surfaces: The Synergy between Electric Field, Surface Morphology, and Excess Electrons 2020 Journal Of Physical Chemistry C 124 UA library record; WoS full record; WoS citing articles pdf url doi
Nematollahi, P.; Neyts, E.C. Identification of a unique pyridinic FeN4Cx electrocatalyst for N₂ reduction : tailoring the coordination and carbon topologies 2022 Journal Of Physical Chemistry C 126 UA library record; WoS full record pdf url doi
Van de Sompel, P.; Khalilov, U.; Neyts, E.C. Contrasting H-etching to OH-etching in plasma-assisted nucleation of carbon nanotubes 2021 Journal Of Physical Chemistry C 125 UA library record; WoS full record pdf url doi
Nematollahi, P.; Ma, H.; Schneider, W.F.; Neyts, E.C. DFT and microkinetic comparison of ru-doped porphyrin-like graphene and nanotubes toward catalytic formic acid decomposition and formation 2021 Journal Of Physical Chemistry C 125 UA library record; WoS full record; WoS citing articles pdf url doi
Bal, K.M.; Bogaerts, A.; Neyts, E.C. Ensemble-Based Molecular Simulation of Chemical Reactions under Vibrational Nonequilibrium 2020 Journal Of Physical Chemistry Letters 11 UA library record; WoS full record; WoS citing articles pdf url doi
Titantah, J.T.; Lamoen, D.; Neyts, E.; Bogaerts, A. The effect of hydrogen on the electronic and bonding properties of amorphous carbon 2006 Journal of physics : condensed matter 18 13 UA library record; WoS full record; WoS citing articles doi
Bogaerts, A.; Aerts, R.; Snoeckx, R.; Somers, W.; Van Gaens, W.; Yusupov, M.; Neyts, E. Modeling of plasma and plasma-surface interactions for medical, environmental and nano applications 2012 Journal of physics : conference series 399 7 UA library record; WoS full record; WoS citing articles url doi
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