Nanotechnology

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)