194 citations · 523 across the 7 of their papers we have counts for
7 papers
Reduced carbon solubility in Fe nano-clusters and implications for the growth of single-walled carbon nanotubes
A. R. Harutyunyan, N. Awasthi, A. Jiang +5
Various diameters of alumina-supported Fe catalysts are used to grow single-walled carbon nanotubes (SWCNTs) with chemical vapor decomposition. We find that the reduction of the ca…
Influence of Mo on the Fe:Mo:C nano-catalyst thermodynamics for single-walled carbon nanotube growth
Stefano Curtarolo, Neha Awasthi, Wahyu Setyawan +4
We explore the role of Mo in Fe:Mo nanocatalyst thermodynamics for low-temperature chemical vapor deposition growth of single walled carbon nanotubes (SWCNTs). By using the size-pr…
Theoretical study of the thermal behavior of free and alumina-supported Fe-C nanoparticles
Aiqin Jiang, Neha Awasthi, Aleksey N. Kolmogorov +5
The thermal behavior of free and alumina-supported iron-carbon nanoparticles is investigated via molecular dynamics simulations, in which the effect of the substrate is treated wit…
Molecular Dynamics Study of the Catalyst Particle Size Dependence on Carbon Nanotube Growth
Feng Ding, Arne Rosen, Kim Bolton
The molecular dynamics method, based on an empirical potential energy surface, was used to study the effect of catalyst particle size on the growth mechanism and structure of singl…
The role of the catalytic particle temperature gradient for SWNT growth from small particles
Feng Ding, Arne Rosen, Kim Bolton
The Vapour-Liquid-Solid (VLS) model, which often includes a temperature gradient (TG) across the catalytic metal particle, is often used to describe the nucleation and growth of ca…
Molecular Dynamics Study of Bamboo-like Carbon Nanotube Nucleation
Feng Ding, Kim Bolton, Arne Rosen
MD simulations based on an empirical potential energy surface were used to study the nucleation of bamboo-like carbon nanotubes (BCNTs). The simulations reveal that inner walls of…