| Author |
Title |
Year |
Publication |
Volume |
Times cited |
Additional Links |
| Eckert, M.; Neyts, E.; Bogaerts, A. |
Differences between ultrananocrystalline and nanocrystalline diamond growth: theoretical investigation of CxHy species at diamond step edges |
2010 |
Crystal growth & design |
10 |
11 |
UA library record; WoS full record; WoS citing articles |
| Eckert, M.; Neyts, E.; Bogaerts, A. |
Insights into the growth of (ultra)nanocrystalline diamond by combined molecular dynamics and Monte Carlo simulations |
2010 |
Crystal growth & design |
10 |
13 |
UA library record; WoS full record; WoS citing articles |
| Eckert, M.; Neyts, E.; Bogaerts, A. |
Modeling adatom surface processes during crystal growth: a new implementation of the Metropolis Monte Carlo algorithm |
2009 |
CrystEngComm |
11 |
15 |
UA library record; WoS full record; WoS citing articles |
| 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 |
| Schoeters, B.; Neyts, E.C.; Khalilov, U.; Pourtois, G.; Partoens, B. |
Stability of Si epoxide defects in Si nanowires : a mixed reactive force field/DFT study |
2013 |
Physical chemistry, chemical physics |
15 |
3 |
UA library record; WoS full record; WoS citing articles |
| Dabaghmanesh, S.; Neyts, E.C.; Partoens, B. |
van der Waals density functionals applied to corundum-type sesquioxides : bulk properties and adsorption of CH3 and C6H6 on (0001) surfaces |
2016 |
Physical chemistry, chemical physics |
18 |
6 |
UA library record; WoS full record; WoS citing articles |
| 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 |
| 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 |
| Ali, S.; Myasnichenko, V.S.; Neyts, E.C. |
Size-dependent strain and surface energies of gold nanoclusters |
2016 |
Physical chemistry, chemical physics |
18 |
37 |
UA library record; WoS full record; WoS citing articles |
| Shirazi, M.; Bogaerts, A.; Neyts, E.C. |
A DFT study of H-dissolution into the bulk of a crystalline Ni(111) surface: a chemical identifier for the reaction kinetics |
2017 |
Physical chemistry, chemical physics |
19 |
10 |
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 |
| Cassimon, J.; Kovács, A.; Neyts, E.; Cornet, I.; Billen, P. |
Deacetylation of mannosylerythritol lipids in hydrophobic natural deep eutectic solvents |
2023 |
European journal of organic chemistry |
27 |
|
UA library record |
| Neyts, E.C.; Bogaerts, A. |
Combining molecular dynamics with Monte Carlo simulations : implementations and applications |
2013 |
Theoretical chemistry accounts : theory, computation, and modeling |
132 |
27 |
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 |
| Bogaerts, A.; De Bie, C.; Eckert, M.; Georgieva, V.; Martens, T.; Neyts, E.; Tinck, S. |
Modeling of the plasma chemistry and plasmasurface interactions in reactive plasmas |
2010 |
Pure and applied chemistry |
82 |
13 |
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 |
| Faraji, F.; Neyts, E.C.; Milošević, M.V.; Peeters, F.M. |
Comment on “Misinterpretation of the Shuttleworth equation” |
2024 |
Scripta Materialia |
250 |
|
|
| 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 |
| Neyts, E.; Bogaerts, A.; van de Sanden, M.C.M. |
Modeling PECVD growth of nanostructured carbon materials |
2009 |
High temperature material processes |
13 |
|
UA library record; WoS full record; WoS citing articles |
| Bogaerts, A.; de Bleecker, K.; Georgieva, V.; Herrebout, D.; Kolev, I.; Madani, M.; Neyts, E. |
Numerical modeling for a better understanding of gas discharge plasmas |
2005 |
High temperature material processes |
9 |
1 |
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 |
| 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 |
| 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 |
| 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 |
| Neyts, E.; Eckert, M.; Bogaerts, A. |
Molecular dynamics simulations of the growth of thin a-C:H films under additional ion bombardment: influence of the growth species and the Ar+ ion kinetic energy |
2007 |
Chemical vapor deposition |
13 |
14 |
UA library record; WoS full record; WoS citing articles |
| Eckert, M.; Neyts, E.; Bogaerts, A. |
Molecular dynamics simulations of the sticking and etch behavior of various growth species of (ultra)nanocrystalline diamond films |
2008 |
Chemical vapor deposition |
14 |
25 |
UA library record; WoS full record; WoS citing articles |
