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  Author Title Year Publication Volume Times cited Additional Links Links
Verlackt, C.C.W.; Neyts, E.C.; Jacob, T.; Fantauzzi, D.; Golkaram, M.; Shin, Y.-K.; van Duin, A.C.T.; Bogaerts, A. Atomic-scale insight into the interactions between hydroxyl radicals and DNA in solution using the ReaxFF reactive force field 2015 New journal of physics 17 18 UA library record; WoS full record; WoS citing articles 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
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
Neyts, E.C.; van Duin, A.C.T.; Bogaerts, A. Formation of single layer graphene on nickel under far-from-equilibrium high flux conditions 2013 Nanoscale 5 25 UA library record; WoS full record; WoS citing articles pdf doi
Grubova, I.Y.; Surmeneva, M.A.; Huygh, S.; Surmenev, R.A.; Neyts, E.C. Effects of silicon doping on strengthening adhesion at the interface of the hydroxyapatite-titanium biocomposite : a first-principles study 2019 Computational materials science 159 1 UA library record; WoS full record; WoS citing articles pdf doi
Elliott, J.A.; Shibuta, Y.; Amara, H.; Bichara, C.; Neyts, E.C. Atomistic modelling of CVD synthesis of carbon nanotubes and graphene 2013 Nanoscale 5 52 UA library record; WoS full record; WoS citing articles doi
Khalilov, U.; Pourtois, G.; van Duin, A.C.T.; Neyts, E.C. Hyperthermal oxidation of Si(100)2x1 surfaces : effect of growth temperature 2012 The journal of physical chemistry: C : nanomaterials and interfaces 116 32 UA library record; WoS full record; WoS citing articles doi
Neyts, E.C.; Khalilov, U.; Pourtois, G.; van Duin, A.C.T. Hyperthermal oxygen interacting with silicon surfaces : adsorption, implantation, and damage creation 2011 The journal of physical chemistry: C : nanomaterials and interfaces 115 28 UA library record; WoS full record; WoS citing articles doi
Khalilov, U.; Bogaerts, A.; Neyts, E.C. Microscopic mechanisms of vertical graphene and carbon nanotube cap nucleation from hydrocarbon growth precursors 2014 Nanoscale 6 21 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
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
Kovács, A.; Billen, P.; Cornet, I.; Wijnants, M.; Neyts, E.C. Modeling the physicochemical properties of natural deep eutectic solvents : a review 2020 Chemsuschem 13 UA library record; WoS full record; WoS citing articles pdf url doi
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 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
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
Mees, M.J.; Pourtois, G.; Neyts, E.C.; Thijsse, B.J.; Stesmans, A. Uniform-acceptance force-bias Monte Carlo method with time scale to study solid-state diffusion 2012 Physical review : B : condensed matter and materials physics 85 31 UA library record; WoS full record; WoS citing articles url doi
Bal, K.M.; Neyts, E.C. Modelling molecular adsorption on charged or polarized surfaces: a critical flaw in common approaches 2018 Physical chemistry, chemical physics 20 8 UA library record; WoS full record; WoS citing articles pdf url doi
Gogoi, A.; Neyts, E.C.; Peeters, F.M. Reduction-enhanced water flux through layered graphene oxide (GO) membranes stabilized with H3O+ and OH- ions 2024 Physical chemistry, chemical physics 26 UA library record; WoS full record doi
Verlackt, C.C.W.; Van Boxem, W.; Dewaele, D.; Lemière, F.; Sobott, F.; Benedikt, J.; Neyts, E.C.; Bogaerts, A. Mechanisms of Peptide Oxidation by Hydroxyl Radicals: Insight at the Molecular Scale 2017 The journal of physical chemistry: C : nanomaterials and interfaces 121 5 UA library record; WoS full record; WoS citing articles pdf url doi
Khalilov, U.; Yusupov, M.; Bogaerts, A.; Neyts, E.C. Selective Plasma Oxidation of Ultrasmall Si Nanowires 2016 The journal of physical chemistry: C : nanomaterials and interfaces 120 3 UA library record; WoS full record; WoS citing articles url 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
Zhang, Y.-R.; Neyts, E.C.; Bogaerts, A. Influence of the Material Dielectric Constant on Plasma Generation inside Catalyst Pores 2016 The journal of physical chemistry: C : nanomaterials and interfaces 120 34 UA library record; WoS full record; WoS citing articles pdf url 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
Bogaerts, A.; Yusupov, M.; Van der Paal, J.; Verlackt, C.C.W.; Neyts, E.C. Reactive molecular dynamics simulations for a better insight in plasma medicine 2014 Plasma processes and polymers 11 22 UA library record; WoS full record; WoS citing articles pdf 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
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
Kato, T.; Neyts, E.C.; Abiko, Y.; Akama, T.; Hatakeyama, R.; Kaneko, T. Kinetics of energy selective Cs encapsulation in single-walled carbon nanotubes for damage-free and position-selective doping 2015 The journal of physical chemistry: C : nanomaterials and interfaces 119 3 UA library record; WoS full record; WoS citing articles pdf 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.K.; Sunkara, M.K.; Bogaerts, A. Plasma Catalysis: Synergistic Effects at the Nanoscale 2015 Chemical reviews 115 204 UA library record; WoS full record; WoS citing articles pdf url doi
Neyts, E.C.; Shibuta, Y.; van Duin, A.C.T.; Bogaerts, A. Catalyzed growth of carbon nanotube with definable chirality by hybrid molecular dynamics-force biased Monte Carlo simulations 2010 ACS nano 4 129 UA library record; WoS full record; WoS citing articles doi
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