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Author Title Year Publication Volume Times cited Additional Links
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
Engelmann, Y.; Bogaerts, A.; Neyts, E.C. Thermodynamics at the nanoscale : phase diagrams of nickel-carbon nanoclusters and equilibrium constants for face transitions 2014 Nanoscale 6 20 UA library record; WoS full record; WoS citing articles
Engelmann; Bogaerts, A.; Neyts, E.C. Thermodynamics at the nanoscale: phase diagrams of nickel-carbon nanoclusters and equilibrium constants for phase transitions 2014 Nanoscale 6 20 UA library record; WoS full record; WoS citing articles
Khalilov, U.; Bogaerts, A.; Xu, B.; Kato, T.; Kaneko, T.; Neyts, E.C. How the alignment of adsorbed ortho H pairs determines the onset of selective carbon nanotube etching 2017 Nanoscale 9 6 UA library record; WoS full record; WoS citing articles
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
Heyne, M.H.; Marinov, D.; Braithwaite, N.; Goodyear, A.; de Marneffe, J.-F.; Cooke, M.; Radu, I.; Neyts, E.C.; De Gendt, S. A route towards the fabrication of 2D heterostructures using atomic layer etching combined with selective conversion 2019 2D materials 6 UA library record; WoS full record; WoS citing articles
Faraji, F.; Neek-Amal, M.; Neyts, E.C.; Peeters, F.M. Indentation of graphene nano-bubbles 2022 Nanoscale 14 2 UA library record; WoS full record; WoS citing articles
Neyts, E.; Maeyens, A.; Pourtois, G.; Bogaerts, A. A density-functional theory simulation of the formation of Ni-doped fullerenes by ion implantation 2011 Carbon 49 13 UA library record; WoS full record; WoS citing articles
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
Neyts, E.C.; Bogaerts, A. Ion irradiation for improved graphene network formation in carbon nanotube growth 2014 Carbon 77 7 UA library record; WoS full record; WoS citing articles
Shariat, M.; Hosseini, S.I.; Shokri, B.; Neyts, E.C. Plasma enhanced growth of single walled carbon nanotubes at low temperature : a reactive molecular dynamics simulation 2013 Carbon 65 21 UA library record; WoS full record; WoS citing articles
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
Aussems, D.U.B.; Bal, K.M.; Morgan, T.W.; van de Sanden, M.C.M.; Neyts, E.C. Mechanisms of elementary hydrogen ion-surface interactions during multilayer graphene etching at high surface temperature as a function of flux 2018 Carbon 137 4 UA library record; WoS full record; WoS citing articles
Khalilov, U.; Vets, C.; Neyts, E.C. Catalyzed growth of encapsulated carbyne 2019 Carbon 153 UA library record; WoS full record; WoS citing articles
Khalilov, U.; Neyts, E.C. Mechanisms of selective nanocarbon synthesis inside carbon nanotubes 2021 Carbon 171 UA library record; WoS full record
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
Surmenev, R.A.; Grubova, I.Y.; Neyts, E.; Teresov, A.D.; Koval, N.N.; Epple, M.; Tyurin, A.I.; Pichugin, V.F.; Chaikina, M.V.; Surmeneva, M.A. Ab initio calculations and a scratch test study of RF-magnetron sputter deposited hydroxyapatite and silicon-containing hydroxyapatite coatings 2020 Surfaces and interfaces 21 UA library record; WoS full record; WoS citing articles
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
Faraji, F.; Neyts, E.C.; Milošević, M.V.; Peeters, F.M. Comment on “Misinterpretation of the Shuttleworth equation” 2024 Scripta Materialia 250
Engelmann, Y.; van ’t Veer, K.; Gorbanev, Y.; Neyts, E.C.; Schneider, W.F.; Bogaerts, A. Plasma Catalysis for Ammonia Synthesis: A Microkinetic Modeling Study on the Contributions of Eley–Rideal Reactions 2021 Acs Sustainable Chemistry & Engineering 9 UA library record; WoS full record; WoS citing articles
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
Javdani, Z.; Hassani, N.; Faraji, F.; Zhou, R.; Sun, C.; Radha, B.; Neyts, E.; Peeters, F.M.; Neek-Amal, M. Clogging and unclogging of hydrocarbon-contaminated nanochannels 2022 The journal of physical chemistry letters 13 UA library record; WoS full record
Nematollahi, P.; Neyts, E.C. Direct oxidation of methane to methanol on Co embedded N-doped graphene: Comparing the role of N₂O and O₂ as oxidants 2020 Applied Catalysis A-General 602 UA library record; WoS full record; WoS citing articles
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
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
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
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
Yusupov, M.; Van der Paal, J.; Neyts, E.C.; Bogaerts, A. Synergistic effect of electric field and lipid oxidation on the permeability of cell membranes 2017 Biochimica et biophysica acta : G : general subjects 1861 UA library record; WoS full record; WoS citing articles
Brault, P.; Neyts, E.C. Molecular dynamics simulations of supported metal nanocatalyst formation by plasma sputtering 2015 Catalysis today 256 18 UA library record; WoS full record; WoS citing articles
Neyts, E.C.; Ostrikov, K.(K.) Nanoscale thermodynamic aspects of plasma catalysis 2015 Catalysis today 256 14 UA library record; WoS full record; WoS citing articles