|
Author |
Title |
Year |
Publication |
Volume |
Times cited |
Additional Links |
Links |
|
Dabaghmanesh, S.; Sarmadian, N.; Neyts, E.C.; Partoens, B. |
A first principles study of p-type defects in LaCrO3 |
2017 |
Physical chemistry, chemical physics |
19 |
16 |
UA library record; WoS full record; WoS citing articles |
|
|
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 |
|
|
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 |
|
|
Grubova, I.Y.; Surmenev, R.A.; Neyts, E.C.; Koptyug, A.V.; Volkova, A.P.; Surmeneva, M.A. |
Combined first-principles and experimental study on the microstructure and mechanical characteristics of the multicomponent additive-manufactured Ti-35Nb-7Zr-5Ta alloy |
2023 |
ACS Omega |
8 |
|
UA library record; WoS full record; WoS citing articles |
|
|
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 |
|
|
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 |
|
|
Yusupov, M.; Neyts, E.C.; Khalilov, U.; Snoeckx, R.; van Duin, A.C.T.; Bogaerts, A. |
Atomic-scale simulations of reactive oxygen plasma species interacting with bacterial cell walls |
2012 |
New journal of physics |
14 |
47 |
UA library record; WoS full record; WoS citing articles |
|
|
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 |
|
|
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 |
|
|
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 |
|
|
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 |
|
|
Heyne, M.H.; de Marneffe, J.-F.; Delabie, A.; Caymax, M.; Neyts, E.C.; Radu, I.; Huyghebaert, C.; De Gendt, S. |
Two-dimensional WS2 nanoribbon deposition by conversion of pre-patterned amorphous silicon |
2017 |
Nanotechnology |
28 |
13 |
UA library record; WoS full record; WoS citing articles |
|
|
Dumpala, S.; Broderick, S.R.; Khalilov, U.; Neyts, E.C.; van Duin, A.C.T.; Provine, J.; Howe, R.T.; Rajan, K. |
Integrated atomistic chemical imaging and reactive force field molecular dynamic simulations on silicon oxidation |
2015 |
Applied physics letters |
106 |
19 |
UA library record; WoS full record; WoS citing articles |
|
|
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 |
|
|
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 |
|
|
Bruggeman, P.J.; Kushner, M.J.; Locke, B.R.; Gardeniers, J.G.E.; Graham, W.G.; Graves, D.B.; Hofman-Caris, R.C.H.M.; Maric, D.; Reid, J.P.; Ceriani, E.; Fernandez Rivas, D.; Foster, J.E.; Garrick, S.C.; Gorbanev, Y.; Hamaguchi, S.; Iza, F.; Jablonowski, H.; Klimova, E.; Kolb, J.; Krcma, F.; Lukes, P.; Machala, Z.; Marinov, I.; Mariotti, D.; Mededovic Thagard, S.; Minakata, D.; Neyts, E.C.; Pawlat, J.; Petrovic, Z.L.; Pflieger, R.; Reuter, S.; Schram, D.C.; Schröter, S.; Shiraiwa, M.; Tarabová, B.; Tsai, P.A.; Verlet, J.R.R.; von Woedtke, T.; Wilson, K.R.; Yasui, K.; Zvereva, G. |
Plasma–liquid interactions: a review and roadmap |
2016 |
Plasma sources science and technology |
25 |
460 |
UA library record; WoS full record; WoS citing articles |
|
|
Bal, K.M.; Huygh, S.; Bogaerts, A.; Neyts, E.C. |
Effect of plasma-induced surface charging on catalytic processes: application to CO2activation |
2018 |
Plasma sources science and technology |
27 |
19 |
UA library record; WoS full record; WoS citing articles |
|
|
Zhang, Y.-R.; Neyts, E.C.; Bogaerts, A. |
Enhancement of plasma generation in catalyst pores with different shapes |
2018 |
Plasma sources science and technology |
27 |
11 |
UA library record; WoS full record; WoS citing articles |
|
|
Fukuhara, S.; Bal, K.M.; Neyts, E.C.; Shibuta, Y. |
Accelerated molecular dynamics simulation of large systems with parallel collective variable-driven hyperdynamics |
2020 |
Computational Materials Science |
177 |
|
UA library record; WoS full record; WoS citing articles |
|
|
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 |
|
|
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 |
|
|
Bal, K.M.; Neyts, E.C. |
On the time scale associated with Monte Carlo simulations |
2014 |
The journal of chemical physics |
141 |
26 |
UA library record; WoS full record; WoS citing articles |
|
|
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 |
|
|
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 |
|
|
Somers, W.; Dubreuil, M.F.; Neyts, E.C.; Vangeneugden, D.; Bogaerts, A. |
Incorporation of fluorescent dyes in atmospheric pressure plasma coatings for in-line monitoring of coating homogeneity |
2014 |
Plasma processes and polymers |
11 |
3 |
UA library record; WoS full record; WoS citing articles |
|
|
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 |
|
|
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 |
|
|
Neyts, E.C.; Bal, K.M. |
Effect of electric fields on plasma catalytic hydrocarbon oxidation from atomistic simulations |
2017 |
Plasma processes and polymers |
14 |
2 |
UA library record; WoS full record; WoS citing articles |
|
|
Razzokov, J.; Yusupov, M.; Vanuytsel, S.; Neyts, E.C.; Bogaerts, A. |
Phosphatidylserine flip-flop induced by oxidation of the plasma membrane: a better insight by atomic scale modeling |
2017 |
Plasma processes and polymers |
14 |
9 |
UA library record; WoS full record; WoS citing articles |
|
|
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 |
|