The role of the catalytic particle temperature gradient for SWNT growth from small particles

TL;DR

This paper investigates the impact of temperature gradients in catalytic particles on the growth of single-walled carbon nanotubes, finding that such gradients are unnecessary for small particle growth, contrary to larger particle models.

Contribution

It demonstrates through molecular dynamics simulations that temperature gradients are not essential for SWNT growth from small catalytic particles, challenging existing VLS models.

Findings

Temperature gradients are not required for SWNT growth from small particles.

Molecular dynamics simulations show growth can occur without TG.

Contrasts with models emphasizing TG in larger particles.

Abstract

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 carbon nanostructures. Although the TG may be important for the growth of carbon species from large metal particles, molecular dynamics simulations show that it is not required for single-walled carbon nanotube growth from small catalytic particles.