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Author |
Title |
Year |
Publication |
Volume |
Times cited |
Additional Links |
Links |
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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. |
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 |
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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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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 |
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Van der Paal, J.; Verheyen, C.; Neyts, E.C.; Bogaerts, A. |
Hampering Effect of Cholesterol on the Permeation of Reactive Oxygen Species through Phospholipids Bilayer: Possible Explanation for Plasma Cancer Selectivity |
2017 |
Scientific reports |
7 |
27 |
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.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. |
Plasma-Surface Interactions in Plasma Catalysis |
2016 |
Plasma chemistry and plasma processing |
36 |
66 |
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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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 |
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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 |
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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 |
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Bogaerts, A.; Aerts, R.; Snoeckx, R.; Somers, W.; Van Gaens, W.; Yusupov, M.; Neyts, E. |
Modeling of plasma and plasma-surface interactions for medical, environmental and nano applications |
2012 |
Journal of physics : conference series |
399 |
7 |
UA library record; WoS full record; WoS citing articles |
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Eckert, M.; Mortet, V.; Zhang, L.; Neyts, E.; Verbeeck, J.; Haenen, ken; Bogaerts, A. |
Theoretical investigation of grain size tuning during prolonged bias-enhanced nucleation |
2011 |
Chemistry of materials |
23 |
9 |
UA library record; WoS full record; WoS citing articles |
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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 |
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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 |
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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 |
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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 |
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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 |
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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 |
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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 |
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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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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 |
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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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Yi, Y.; Wang, X.; Jafarzadeh, A.; Wang, L.; Liu, P.; He, B.; Yan, J.; Zhang, R.; Zhang, H.; Liu, X.; Guo, H.; Neyts, E.C.; Bogaerts, A. |
Plasma-Catalytic Ammonia Reforming of Methane over Cu-Based Catalysts for the Production of HCN and H2at Reduced Temperature |
2021 |
Acs Catalysis |
11 |
|
UA library record; WoS full record; WoS citing articles |
|
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Neyts, E.C.; Bogaerts, A. |
Ion irradiation for improved graphene network formation in carbon nanotube growth |
2014 |
Carbon |
77 |
7 |
UA library record; WoS full record; WoS citing articles |
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Shariat, M.; Hosseini, S.I.; Shokri, B.; Neyts, E.C. |
Plasma enhanced growth of single walled carbon nanotubes at low temperature : a reactive molecular dynamics simulation |
2013 |
Carbon |
65 |
21 |
UA library record; WoS full record; WoS citing articles |
|
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Brault, P.; Neyts, E.C. |
Molecular dynamics simulations of supported metal nanocatalyst formation by plasma sputtering |
2015 |
Catalysis today |
256 |
18 |
UA library record; WoS full record; WoS citing articles |
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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 |
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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 |
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