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Author |
Title |
Year  |
Publication |
Volume |
Times cited |
Additional Links |
Links |
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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 |
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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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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 |
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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 |
|
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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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Berdiyorov, G.R.; Neek-Amal, M.; Peeters, F.M.; van Duin, A.C.T. |
Stabilized silicene within bilayer graphene : a proposal based on molecular dynamics and density-functional tight-binding calculations |
2014 |
Physical review : B : condensed matter and materials physics |
89 |
43 |
UA library record; WoS full record; WoS citing articles |
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Yusupov, M.; Neyts, E.C.; Simon, P.; Berdiyorov, G.; Snoeckx, R.; van Duin, A.C.T.; Bogaerts, A. |
Reactive molecular dynamics simulations of oxygen species in a liquid water layer of interest for plasma medicine |
2014 |
Journal of physics: D: applied physics |
47 |
51 |
UA library record; WoS full record; WoS citing articles |
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Van der Paal, J.; Aernouts, S.; van Duin, A.C.T.; Neyts, E.C.; Bogaerts, A. |
Interaction of O and OH radicals with a simple model system for lipids in the skin barrier : a reactive molecular dynamics investigation for plasma medicine |
2013 |
Journal of physics: D: applied physics |
46 |
36 |
UA library record; WoS full record; WoS citing articles |
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Neyts, E.C.; van Duin, A.C.T.; Bogaerts, A. |
Formation of single layer graphene on nickel under far-from-equilibrium high flux conditions |
2013 |
Nanoscale |
5 |
25 |
UA library record; WoS full record; WoS citing articles |
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Khalilov, U.; Pourtois, G.; Huygh, S.; van Duin, A.C.T.; Neyts, E.C.; Bogaerts, A. |
New mechanism for oxidation of native silicon oxide |
2013 |
The journal of physical chemistry: C : nanomaterials and interfaces |
117 |
24 |
UA library record; WoS full record; WoS citing articles |
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Singh, S.K.; Srinivasan, S.G.; Neek-Amal, M.; Costamagna, S.; van Duin, A.C.T.; Peeters, F.M. |
Thermal properties of fluorinated graphene |
2013 |
Physical review : B : condensed matter and materials physics |
87 |
80 |
UA library record; WoS full record; WoS citing articles |
|
|
|
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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Yusupov, M.; Bogaerts, A.; Huygh, S.; Snoeckx, R.; van Duin, A.C.T.; Neyts, E.C. |
Plasma-induced destruction of bacterial cell wall components : a reactive molecular dynamics simulation |
2013 |
The journal of physical chemistry: C : nanomaterials and interfaces |
117 |
59 |
UA library record; WoS full record; WoS citing articles |
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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 |
|
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Khalilov, U.; Pourtois, G.; Bogaerts, A.; van Duin, A.C.T.; Neyts, E.C. |
Reactive molecular dynamics simulations on SiO2-coated ultra-small Si-nanowires |
2013 |
Nanoscale |
5 |
17 |
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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Khalilov, U.; Pourtois, G.; van Duin, A.C.T.; Neyts, E.C. |
On the c-Si\mid a-SiO2 interface in hyperthermal Si oxidation at room temperature |
2012 |
The journal of physical chemistry: C : nanomaterials and interfaces |
116 |
27 |
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. |
Plasma species interacting with nickel surfaces : toward an atomic scale understanding of plasma-catalysis |
2012 |
The journal of physical chemistry: C : nanomaterials and interfaces |
116 |
37 |
UA library record; WoS full record; WoS citing articles |
|
|
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Khalilov, U.; Pourtois, G.; van Duin, A.C.T.; Neyts, E.C. |
Self-limiting oxidation in small-diameter Si nanowires |
2012 |
Chemistry of materials |
24 |
45 |
UA library record; WoS full record; WoS citing articles |
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Khalilov, U.; Pourtois, G.; van Duin, A.C.T.; Neyts, E.C. |
Hyperthermal oxidation of Si(100)2x1 surfaces : effect of growth temperature |
2012 |
The journal of physical chemistry: C : nanomaterials and interfaces |
116 |
32 |
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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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.; 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.; Khalilov, U.; Pourtois, G.; van Duin, A.C.T. |
Hyperthermal oxygen interacting with silicon surfaces : adsorption, implantation, and damage creation |
2011 |
The journal of physical chemistry: C : nanomaterials and interfaces |
115 |
28 |
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 |
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