Abstract
The energetic stability of structural isomers of and clusters, including fullerenes, is studied using diffusion quantum Monte Carlo methods. We predict that a isomer is the smallest stable graphitic fragment and that the smallest stable fullerenes are the and clusters with and symmetry, respectively. Given suitable experimental conditions these small fullerenes should therefore be producible in abundance, facilitating production of fullerene-based solids.
- Received 7 August 2000
DOI:https://doi.org/10.1103/PhysRevB.62.15394
©2000 American Physical Society