[16ct] Computation and Theory

5:00 PM - 5:20 PM JST(8:00 AM - 8:20 AM UTC)

[16ct-06] Oxygen modulates the catalytic activity of iron for CNT Nucleation

*Ben McLean¹, Alister J. Page², Feng Ding³ (1. RMIT University (Australia), 2. University of Newcastle (Australia), 3. Shenzhen Institute of Advanced Technology, Chinese Academy of Sciences (China))

Keywords:

catalysis,molecular dynamics,density functional theory,carbon nanotube,chemical vapor deposition