Atomic scale simulation of carbon nanotube nucleation from hydrocarbon precursors.
U. Khalilov, A. Bogaerts and E.C. Neyts
Nat. Commun., 6, 10306 (2015)

Kinetics of energy selective Cs encapsulation in single-walled carbon nanotubes for damage-free and position-selective doping.
T. Kato, E.C. Neyts, Y. Abiko, T. Akama, R. Hatakeyama and T. Kaneko
J. Phys. Chem. C, 119, 11903-11908 (2015)

Self-limiting oxidation in small-diameter Si nanowires.
U. Khalilov, G. Pourtois, A.C.T. van Duin and E.C. Neyts
Chem. Mater., 24, 2141-2147 (2012)  (Selected for the front page of the journal)

Changing chirality during single-walled carbon nanotube growth: a reactive molecular dynamics/Monte Carlo study.
E.C. Neyts, A.C.T. van Duin and A. Bogaerts
J. Amer. Chem. Soc., 133, 17225-17231 (2011)

Simultaneous etching and deposition processes during the etching of silicon with a Cl2/O2/Ar inductively coupled plasma.
S. Tinck, D. Shamiryan and A. Bogaerts
Plasma Process. Polym., 8, 490-499 (2011)  (Selected for the front page of the journal)

Catalyzed growth of carbon nanotube with definable chirality by hydrid molecular dynamics – force biased Monte Carlo simulations.
E.C. Neyts, Y. Shibuta, A.C.T. van Duin and A. Bogaerts
ACSNano, 10, 6665-6672 (2010)