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Author |
Title |
Year |
Publication |
Volume  |
Times cited |
Additional Links |
Links |
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Vets, C.; Neyts, E.C. |
Stabilities of bimetallic nanoparticles for chirality-selective carbon nanotube growth and the effect of carbon interstitials |
2017 |
The journal of physical chemistry: C : nanomaterials and interfaces |
121 |
2 |
UA library record; WoS full record; WoS citing articles |
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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 |
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Bal, K.M.; Neyts, E.C. |
Overcoming Old Scaling Relations and Establishing New Correlations in Catalytic Surface Chemistry: Combined Effect of Charging and Doping |
2019 |
The journal of physical chemistry: C : nanomaterials and interfaces |
123 |
5 |
UA library record; WoS full record; WoS citing articles |
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Jafarzadeh, A.; Bal, K.M.; Bogaerts, A.; Neyts, E.C. |
CO2 activation on TiO2-supported Cu5 and Ni5 nanoclusters : effect of plasma-induced surface charging |
2019 |
The journal of physical chemistry: C : nanomaterials and interfaces |
123 |
4 |
UA library record; WoS full record; WoS citing articles |
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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 |
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Van de Sompel, P.; Khalilov, U.; Neyts, E.C. |
Contrasting H-etching to OH-etching in plasma-assisted nucleation of carbon nanotubes |
2021 |
Journal Of Physical Chemistry C |
125 |
|
UA library record; WoS full record |
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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 |
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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 |
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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 |
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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 |
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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 |
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Neyts, E.C.; van Duin, A.C.T.; Bogaerts, A. |
Insights in the plasma-assisted growth of carbon nanotubes through atomic scale simulations : effect of electric field |
2012 |
Journal of the American Chemical Society |
134 |
56 |
UA library record; WoS full record; WoS citing articles |
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Aussems, D.U.B.; Bal, K.M.; Morgan, T.W.; van de Sanden, M.C.M.; Neyts, E.C. |
Mechanisms of elementary hydrogen ion-surface interactions during multilayer graphene etching at high surface temperature as a function of flux |
2018 |
Carbon |
137 |
4 |
UA library record; WoS full record; WoS citing articles |
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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 |
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Khalilov, U.; Vets, C.; Neyts, E.C. |
Catalyzed growth of encapsulated carbyne |
2019 |
Carbon |
153 |
|
UA library record; WoS full record; WoS citing articles |
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Bal, K.M.; Fukuhara, S.; Shibuta, Y.; Neyts, E.C. |
Free energy barriers from biased molecular dynamics simulations |
2020 |
Journal Of Chemical Physics |
153 |
|
UA library record; WoS full record; WoS citing articles |
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Somers, W.; Bogaerts, A.; van Duin, A.C.T.; Neyts, E.C. |
Interactions of plasma species on nickel catalysts : a reactive molecular dynamics study on the influence of temperature and surface structure |
2014 |
Applied catalysis : B : environmental |
154 |
23 |
UA library record; WoS full record; WoS citing articles |
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Bal, K.M.; Neyts, E.C. |
Extending and validating bubble nucleation rate predictions in a Lennard-Jones fluid with enhanced sampling methods and transition state theory |
2022 |
Journal Of Chemical Physics |
157 |
|
UA library record; WoS full record; WoS citing articles |
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Grubova, I.Y.; Surmeneva, M.A.; Huygh, S.; Surmenev, R.A.; Neyts, E.C. |
Effects of silicon doping on strengthening adhesion at the interface of the hydroxyapatite-titanium biocomposite : a first-principles study |
2019 |
Computational materials science |
159 |
1 |
UA library record; WoS full record; WoS citing articles |
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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 |
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Khalilov, U.; Neyts, E.C. |
Mechanisms of selective nanocarbon synthesis inside carbon nanotubes |
2021 |
Carbon |
171 |
|
UA library record; WoS full record |
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Fukuhara, S.; Bal, K.M.; Neyts, E.C.; Shibuta, Y. |
Entropic and enthalpic factors determining the thermodynamics and kinetics of carbon segregation from transition metal nanoparticles |
2021 |
Carbon |
171 |
|
UA library record; WoS full record; WoS citing articles |
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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 |
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Zhang, Y.-R.; Van Laer, K.; Neyts, E.C.; Bogaerts, A. |
Can plasma be formed in catalyst pores? A modeling investigation |
2016 |
Applied catalysis : B : environmental |
185 |
75 |
UA library record; WoS full record; WoS citing articles |
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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 |
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Neyts, E.; Yan, M.; Bogaerts, A.; Gijbels, R. |
PIC-MC simulation of an RF capacitively coupled Ar/H2 discharge |
2003 |
Nuclear instruments and methods in physics research: B |
202 |
8 |
UA library record; WoS full record; WoS citing articles |
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Shirazi, M.; Neyts, E.C.; Bogaerts, A. |
DFT study of Ni-catalyzed plasma dry reforming of methane |
2017 |
Applied catalysis : B : environmental |
205 |
26 |
UA library record; WoS full record; WoS citing articles |
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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 |
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Somers, W.; Bogaerts, A.; van Duin, A.C.T.; Huygh, S.; Bal, K.M.; Neyts, E.C. |
Temperature influence on the reactivity of plasma species on a nickel catalyst surface : an atomic scale study |
2013 |
Catalysis today |
211 |
27 |
UA library record; WoS full record; WoS citing articles |
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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 |
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