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  Author Title Year Publication Volume Times cited Additional Links Links
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.; Neyts, E.C. Mechanisms of selective nanocarbon synthesis inside carbon nanotubes 2021 Carbon 171 UA library record; WoS full record pdf url 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
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
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
Yi, Y.; Wang, X.; Jafarzadeh, A.; Wang, L.; Liu, P.; He, B.; Yan, J.; Zhang, R.; Zhang, H.; Liu, X.; Guo, H.; Neyts, E.C.; Bogaerts, A. Plasma-Catalytic Ammonia Reforming of Methane over Cu-Based Catalysts for the Production of HCN and H2at Reduced Temperature 2021 Acs Catalysis 11 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
Izadi, M.E.; Bal, K.M.; Maghari, A.; Neyts, E.C. Reaction mechanisms of C(3PJ) and C+(2PJ) with benzene in the interstellar medium from quantum mechanical molecular dynamics simulations 2021 Physical Chemistry Chemical Physics 23 UA library record; WoS full record; WoS citing articles url doi
Bal, K.M.; Neyts, E.C. Quantifying the impact of vibrational nonequilibrium in plasma catalysis: insights from a molecular dynamics model of dissociative chemisorption 2021 Journal Of Physics D-Applied Physics 54 UA library record; WoS full record; WoS citing articles pdf url doi
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 pdf url doi
Bogaerts, A.; Neyts, E.C.; Guaitella, O.; Murphy, A.B. Foundations of plasma catalysis for environmental applications 2022 Plasma Sources Science & Technology UA library record; WoS full record; WoS citing articles pdf url doi
Nematollahi, P.; Barbiellini, B.; Bansil, A.; Lamoen, D.; Qingying, J.; Mukerjee, S.; Neyts, E.C. Identification of a Robust and Durable FeN4CxCatalyst for ORR in PEM Fuel Cells and the Role of the Fifth Ligand 2022 ACS catalysis UA library record; WoS full record; WoS full record; WoS citing articles pdf url doi
Faraji, F.; Neyts, E.C.; Milošević, M.V.; Peeters, F.M. Comment on “Misinterpretation of the Shuttleworth equation” 2024 Scripta Materialia 250 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
Cai, Y.; Michiels, R.; De Luca, F.; Neyts, E.; Tu, X.; Bogaerts, A.; Gerrits, N. Improving Molecule–Metal Surface Reaction Networks Using the Meta-Generalized Gradient Approximation: CO2Hydrogenation 2024 The Journal of Physical Chemistry C 128 url doi
Neyts, E.; Shibuta, Y.; Bogaerts, A. Bond switching regimes in nickel and nickel-carbon nanoclusters 2010 Chemical physics letters 488 20 UA library record; WoS full record; WoS citing articles doi
Xie, L.; Brault, P.; Coutanceau, C.; Bauchire, J.-M.; Caillard, A.; Baranton, S.; Berndt, J.; Neyts, E.C. Efficient amorphous platinum catalyst cluster growth on porous carbon : a combined molecular dynamics and experimental study 2015 Applied catalysis : B : environmental 162 20 UA library record; WoS full record; WoS citing articles pdf doi
Somers, W.; Bogaerts, A.; van Duin, A.C.T.; Neyts, E.C. Interactions of plasma species on nickel catalysts : a reactive molecular dynamics study on the influence of temperature and surface structure 2014 Applied catalysis : B : environmental 154 23 UA library record; WoS full record; WoS citing articles pdf doi
Neyts, E.; Bogaerts, A.; Gijbels, R.; Benedikt, J.; van de Sanden, M.C.M. Molecular dynamics simulation of the impact behaviour of various hydrocarbon species on DLC 2005 Nuclear instruments and methods in physics research: B: beam interactions with materials and atoms 228 19 UA library record; WoS full record; WoS citing articles doi
Neyts, E.; Bogaerts, A.; Gijbels, R.; Benedikt, J.; van den Sanden, M.C.M. Molecular dynamics simulations for the growth of diamond-like carbon films from low kinetic energy species 2004 Diamond and related materials 13 53 UA library record; WoS full record; WoS citing articles doi
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 pdf url doi
Liu, Y.H.; Neyts, E.; Bogaerts, A. Monte Carlo method for simulations of adsorbed atom diffusion on a surface 2006 Diamond and related materials 15 5 UA library record; WoS full record; WoS citing articles doi
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 pdf url doi
Shariat, M.; Shokri, B.; Neyts, E.C. On the low-temperature growth mechanism of single walled carbon nanotubes in plasma enhanced chemical vapor deposition 2013 Chemical physics letters 590 14 UA library record; WoS full record; WoS citing articles doi
Nozaki, T.; Neyts, E.C.; Sankaran, M.; Ostrikov, K.(K.); Liu, C.-J. Plasmas for enhanced catalytic processes (ISPCEM 2014) 2015 Catalysis today 256 2 UA library record; WoS full record; WoS citing articles pdf doi
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
Somers, W.; Bogaerts, A.; van Duin, A.C.T.; Huygh, S.; Bal, K.M.; Neyts, E.C. Temperature influence on the reactivity of plasma species on a nickel catalyst surface : an atomic scale study 2013 Catalysis today 211 27 UA library record; WoS full record; WoS citing articles pdf doi
Dabaghmanesh, S.; Neek-Amal, M.; Partoens, B.; Neyts, E.C. The formation of Cr2O3 nanoclusters over graphene sheet and carbon nanotubes 2017 Chemical physics letters 687 2 UA library record; WoS full record; WoS citing articles pdf url doi
Nematollahi, P.; Neyts, E.C. A comparative DFT study on CO oxidation reaction over Si-doped BC2N nanosheet and nanotube 2018 Applied surface science 439 8 UA library record; WoS full record; WoS citing articles doi
Nematollahi, P.; Esrafili, M.D.; Neyts, E.C. The role of healed N-vacancy defective BC2N sheet and nanotube by NO molecule in oxidation of NO and CO gas molecules 2018 Surface science : a journal devoted to the physics and chemistry of interfaces 672-673 1 UA library record; WoS full record; WoS citing articles pdf url doi
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