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  Author Title Year Publication Volume Times cited Additional Links Links
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
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
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.; Eckert, M.; Mao, M.; Neyts, E. Computer modelling of the plasma chemistry and plasma-based growth mechanisms for nanostructured materials 2011 Journal of physics: D: applied physics 44 25 UA library record; WoS full record; WoS citing articles doi
Neyts, E.C.; Yusupov, M.; Verlackt, C.C.; Bogaerts, A. Computer simulations of plasmabiomolecule and plasmatissue interactions for a better insight in plasma medicine 2014 Journal of physics: D: applied physics 47 28 UA library record; WoS full record; WoS citing articles pdf doi
Neyts, E.; Bogaerts, A.; van de Sanden, M.C.M. Densification of thin a-C: H films grown from low-kinetic energy hydrocarbon radicals under the influence of H and C particle fluxes: a molecular dynamics study 2006 Journal of physics: D: applied physics 39 3 UA library record; WoS full record; WoS citing articles doi
Van der Paal, J.; Aernouts, S.; van Duin, A.C.T.; Neyts, E.C.; Bogaerts, A. Interaction of O and OH radicals with a simple model system for lipids in the skin barrier : a reactive molecular dynamics investigation for plasma medicine 2013 Journal of physics: D: applied physics 46 36 UA library record; WoS full record; WoS citing articles pdf doi
Eckert, M.; Neyts, E.; Bogaerts, A. On the reaction behaviour of hydrocarbon species at diamond (1 0 0) and (1 1 1) surfaces: a molecular dynamics investigation 2008 Journal of physics: D: applied physics 41 17 UA library record; WoS full record; WoS citing articles 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
Bogaerts, A.; Neyts, E.C.; Rousseau, A. Special issue on fundamentals of plasmasurface interactions 2014 Journal of physics: D: applied physics 47 2 UA library record; WoS full record; WoS citing articles doi
Van der Paal, J.; Verlackt, C.C.; Yusupov, M.; Neyts, E.C.; Bogaerts, A. Structural modification of the skin barrier by OH radicals : a reactive molecular dynamics study for plasma medicine 2015 Journal of physics: D: applied physics 48 20 UA library record; WoS full record; WoS citing articles pdf url doi
Neyts, E.C.; Bogaerts, A. Understanding plasma catalysis through modelling and simulation : a review 2014 Journal of physics: D: applied physics 47 130 UA library record; WoS full record; WoS citing articles pdf doi
Dufour, T.; Minnebo, J.; Abou Rich, S.; Neyts, E.C.; Bogaerts, A.; Reniers, F. Understanding polyethylene surface functionalization by an atmospheric He/O2 plasma through combined experiments and simulations 2014 Journal of physics: D: applied physics 47 13 UA library record; WoS full record; WoS citing articles pdf doi
Bogaerts, A.; Khosravian, N.; Van der Paal, J.; Verlackt, C.C.W.; Yusupov, M.; Kamaraj, B.; Neyts, E.C. Multi-level molecular modelling for plasma medicine 2016 Journal of physics: D: applied physics 49 11 UA library record; WoS full record; WoS citing articles pdf url doi
Tinck, S.; Tillocher, T.; Dussart, R.; Neyts, E.C.; Bogaerts, A. Elucidating the effects of gas flow rate on an SF6inductively coupled plasma and on the silicon etch rate, by a combined experimental and theoretical investigation 2016 Journal of physics: D: applied physics 49 1 UA library record; WoS full record; WoS citing articles pdf url doi
Verlackt, C.C.W.; Neyts, E.C.; Bogaerts, A. Atomic scale behavior of oxygen-based radicals in water 2017 Journal of physics: D: applied physics 50 11 UA library record; WoS full record; WoS citing articles pdf url doi
Bogaerts, A.; Khosravian, N.; Van der Paal, J.; Verlackt, C.C.W.; Yusupov, M.; Kamaraj, B.; Neyts, E.C. Multi-level molecular modelling for plasma medicine 2016 Journal Of Physics D-Applied Physics 49 UA library record pdf url
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
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
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
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 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
Khalilov, U.; Neyts, E.C.; Pourtois, G.; van Duin, A.C.T. Can we control the thickness of ultrathin silica layers by hyperthermal silicon oxidation at room temperature? 2011 The journal of physical chemistry: C : nanomaterials and interfaces 115 36 UA library record; WoS full record; WoS citing articles doi
Tinck, S.; Neyts, E.C.; Bogaerts, A. Fluorinesilicon surface reactions during cryogenic and near room temperature etching 2014 The journal of physical chemistry: C : nanomaterials and interfaces 118 11 UA library record; WoS full record; WoS citing articles url 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
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.; Pourtois, G.; Huygh, S.; van Duin, A.C.T.; Neyts, E.C.; Bogaerts, A. New mechanism for oxidation of native silicon oxide 2013 The journal of physical chemistry: C : nanomaterials and interfaces 117 24 UA library record; WoS full record; WoS citing articles pdf doi
Neyts, E.C.; Bogaerts, A. Numerical study of the size-dependent melting mechanisms of nickel nanoclusters 2009 The journal of physical chemistry: C : nanomaterials and interfaces 113 UA library record; WoS full record; WoS citing articles
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
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