Why do nanotubes grow chiral?

Abstract

Carbon nanotubes (CNT) hold enormous technological promise. It can only be harnessed if one controls in a practical way the CNT chirality, the feature of the tubular carbon topology that governs all the CNT properties---electronic, optical, mechanical. Experiments in catalytic growth over the last decade have repeatedly revealed a puzzling strong preference towards minimally-chiral (near-armchair) CNT, challenging any existing hypotheses and turning chirality control ever more tantalizing yet leaving its understanding elusive. Here we combine the CNT/catalyst interface thermodynamics with the kinetic growth theory to show that the unusual near-armchair peaks emerge from the two antagonistic trends: energetic preference towards achiral CNT/catalyst interfaces vs. faster growth of chiral CNT. This narrow distribution is profoundly related with the peaked behavior of a simple function, x*exp(-x).

References in corpus (3)

• Quantum ESPRESSO: a modular and open-source software project for quantum simulations of materials
• Graphene edge from A to Z - and the origins of nanotube chirality
• Understanding the nucleation mechanisms of Carbon Nanotubes in catalytic Chemical Vapor Deposition

Cited by in corpus (1)

• Breaking of symmetry in graphene growth on metal substrates