Author |
Title |
Year |
Publication |
Volume |
Times cited |
Additional Links |
Engelmann, Y.; Bogaerts, A.; Neyts, E.C. |
Thermodynamics at the nanoscale : phase diagrams of nickel-carbon nanoclusters and equilibrium constants for face transitions |
2014 |
Nanoscale |
6 |
20 |
UA library record; WoS full record; WoS citing articles |
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 |
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 |
Engelmann, Y.; van ’t Veer, K.; Gorbanev, Y.; Neyts, E.C.; Schneider, W.F.; Bogaerts, A. |
Plasma Catalysis for Ammonia Synthesis: A Microkinetic Modeling Study on the Contributions of Eley–Rideal Reactions |
2021 |
Acs Sustainable Chemistry & Engineering |
9 |
|
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 |
|
UA library record; WoS full record |
Faraji, F.; Neyts, E.C.; Milošević, M.V.; Peeters, F.M. |
Capillary Condensation of Water in Graphene Nanocapillaries |
2024 |
Nano Letters |
24 |
|
UA library record; WoS full record; WoS citing articles |
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 |
|
|
Michiels, R.; Gerrits, N.; Neyts, E.; Bogaerts, A. |
Plasma Catalysis Modeling: How Ideal Is Atomic Hydrogen for Eley–Rideal? |
2024 |
The Journal of Physical Chemistry C |
128 |
|
|
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 |
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 |
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 |
Neyts, E.; Shibuta, Y.; Bogaerts, A. |
Bond switching regimes in nickel and nickel-carbon nanoclusters |
2010 |
Chemical physics letters |
488 |
20 |
UA library record; WoS full record; WoS citing articles |
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 |
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 |
Neyts, E.C.; van Duin, A.C.T.; Bogaerts, A. |
Changing chirality during single-walled carbon nanotube growth : a reactive molecular dynamics/Monte Carlo study |
2011 |
Journal of the American Chemical Society |
133 |
116 |
UA library record; WoS full record; WoS citing articles |
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 |
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 |
Hoon Park, J.; Kumar, N.; Hoon Park, D.; Yusupov, M.; Neyts, E.C.; Verlackt, C.C.W.; Bogaerts, A.; Ho Kang, M.; Sup Uhm, H.; Ha Choi, E.; Attri, P.; |
A comparative study for the inactivation of multidrug resistance bacteria using dielectric barrier discharge and nano-second pulsed plasma |
2015 |
Scientific reports |
5 |
32 |
UA library record; WoS full record; WoS citing articles |
Bogaerts, A.; Bultinck, E.; Eckert, M.; Georgieva, V.; Mao, M.; Neyts, E.; Schwaederlé, L. |
Computer modeling of plasmas and plasma-surface interactions |
2009 |
Plasma processes and polymers |
6 |
18 |
UA library record; WoS full record; WoS citing articles |
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 |
Bogaerts, A.; de Bleecker, K.; Georgieva, V.; Kolev, I.; Madani, M.; Neyts, E. |
Computer simulations for processing plasmas |
2006 |
Plasma processes and polymers |
3 |
8 |
UA library record; WoS full record; WoS citing articles |
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 |
Neyts, E.C.; Ostrikov, K.; Han, Z.J.; Kumar, S.; van Duin, A.C.T.; Bogaerts, A. |
Defect healing and enhanced nucleation of carbon nanotubes by low-energy ion bombardment |
2013 |
Physical review letters |
110 |
50 |
UA library record; WoS full record; WoS citing articles |
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 |
Neyts, E.; Maeyens, A.; Pourtois, G.; Bogaerts, A. |
A density-functional theory simulation of the formation of Ni-doped fullerenes by ion implantation |
2011 |
Carbon |
49 |
13 |
UA library record; WoS full record; WoS citing articles |
Huygh, S.; Bogaerts, A.; van Duin, A.C.T.; Neyts, E.C. |
Development of a ReaxFF reactive force field for intrinsic point defects in titanium dioxide |
2014 |
Computational materials science |
95 |
15 |
UA library record; WoS full record; WoS citing articles |
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 |
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.; 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 |
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 |