| Author |
Title |
Year |
Publication |
Volume |
Times cited |
Additional Links |
| 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 |
| Dabaghmanesh, S.; Saniz, R.; Neyts, E.; Partoens, B. |
Sulfur-alloyed Cr2O3: a new p-type transparent conducting oxide host |
2017 |
RSC advances |
7 |
9 |
UA library record; WoS full record; WoS citing articles |
| Dabaghmanesh, S.; Neek-Amal, M.; Partoens, B.; Neyts, E.C. |
The formation of Cr2O3 nanoclusters over graphene sheet and carbon nanotubes |
2017 |
Chemical physics letters |
687 |
2 |
UA library record; WoS full record; WoS citing articles |
| 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 |
| Grubova, I.Y.; Surmeneva, M.A.; Surmenev, R.A.; Neyts, E.C. |
Effect of van der Waals interactions on the adhesion strength at the interface of the hydroxyapatite-titanium biocomposite : a first-principles study |
2020 |
RSC advances |
10 |
|
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 |
| Samani, M.K.; Ding, X.Z.; Khosravian, N.; Amin-Ahmadi, B.; Yi, Y.; Chen, G.; Neyts, E.C.; Bogaerts, A.; Tay, B.K. |
Thermal conductivity of titanium nitride/titanium aluminum nitride multilayer coatings deposited by lateral rotating cathode arc |
2015 |
Thin solid films : an international journal on the science and technology of thin and thick films |
578 |
41 |
UA library record; WoS full record; WoS citing articles |
| 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 |
| Bogaerts, A.; Khosravian, N.; Van der Paal, J.; Verlackt, C.C.W.; Yusupov, M.; Kamaraj, B.; Neyts, E.C. |
Multi-level molecular modelling for plasma medicine |
2016 |
Journal Of Physics D-Applied Physics |
49 |
|
UA library record |
| Neyts, E.C.; Brault, P. |
Molecular Dynamics Simulations for Plasma-Surface Interactions: Molecular Dynamics Simulations… |
2017 |
Plasma processes and polymers |
14 |
13 |
UA library record; WoS full record; WoS citing articles |
| 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 |
