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  Author (up) Title Year Publication Volume Times cited Additional Links Links
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
Khalilov, U.; Vets, C.; Neyts, E.C. Molecular evidence for feedstock-dependent nucleation mechanisms of CNTs 2019 Nanoscale Horizons 4 1 UA library record; WoS full record; WoS citing articles pdf url doi
Khalilov, U.; Vets, C.; Neyts, E.C. Catalyzed growth of encapsulated carbyne 2019 Carbon 153 UA library record; WoS full record; WoS citing articles pdf 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
Khosravian, N.; Bogaerts, A.; Huygh, S.; Yusupov, M.; Neyts, E.C. How do plasma-generated OH radicals react with biofilm components? Insights from atomic scale simulations 2015 Biointerphases 10 10 UA library record; WoS full record; WoS citing articles url doi
Khosravian, N.; Kamaraj, B.; Neyts, E.C.; Bogaerts, A. Structural modification of P-glycoprotein induced by OH radicals: Insights from atomistic simulations 2016 Scientific reports 6 7 UA library record; WoS full record; WoS citing articles 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
Kovács, A.; Janssens, N.; Mielants, M.; Cornet, I.; Neyts, E.C.; Billen, P. Biocatalyzed vinyl laurate transesterification in natural deep eutectic solvents 2023 Waste and biomass valorization UA library record; WoS full record; WoS citing articles pdf 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
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
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
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
Mortet, V.; Zhang, L.; Echert, M.; Soltani, A.; d' Haen, J.; Douheret, O.; Moreau, M.; Osswald, S.; Neyts, E.; Troadec, D.; Wagner, P.; Bogaerts, A.; Van Tendeloo, G.; Haenen, K. Characterization of nano-crystalline diamond films grown under continuous DC bias during plasma enhanced chemical vapor deposition 2009 Materials Research Society symposium proceedings UA library record doi
Mortet, V.; Zhang, L.; Eckert, M.; D'Haen, J.; Soltani, A.; Moreau, M.; Troadec, D.; Neyts, E.; De Jaeger, J.C.; Verbeeck, J.; Bogaerts, A.; Van Tendeloo, G.; Haenen, K.; Wagner, P. Grain size tuning of nanocrystalline chemical vapor deposited diamond by continuous electrical bias growth : experimental and theoretical study 2012 Physica status solidi : A : applications and materials science 209 31 UA library record; WoS full record; WoS citing articles pdf 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
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
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
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.; Neyts, E.C. Direct methane conversion to methanol on M and MN4 embedded graphene (M = Ni and Si): a comparative DFT study 2019 Applied surface science 496 2 UA library record; WoS full record; WoS citing articles pdf doi
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 pdf url 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
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
Nematollahi, P.; Neyts, E.C. Linking bi-metal distribution patterns in porous carbon nitride fullerene to its catalytic activity toward gas adsorption 2021 Nanomaterials 11 UA library record; WoS full record; WoS citing articles url doi
Neyts, E. Algemene chemie : van atomen tot thermodynamica 2014 UA library record
Neyts, E.; Bogaerts, A. Influence of internal energy and impact angle on the sticking behaviour of reactive radicals in thin a-C:H film growth: a molecular dynamics study 2006 Physical chemistry, chemical physics 8 7 UA library record; WoS full record; WoS citing articles doi
Neyts, E.; Bogaerts, A.; de Meyer, M.; van Gils, S. Macroscale computer simulations to investigate the chemical vapor deposition of thin metal-oxide films 2007 Surface and coatings technology 201 5 UA library record; WoS full record; WoS citing articles 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
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
Neyts, E.; Bogaerts, A.; van de Sanden, M.C.M. Effect of hydrogen on the growth of thin hydrogenated amorphous carbon films from thermal energy radicals 2006 Applied physics letters 88 35 UA library record; WoS full record; WoS citing articles doi
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