期刊
PHYSICAL REVIEW B
卷 62, 期 23, 页码 15394-15397出版社
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevB.62.15394
关键词
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The energetic stability of structural isomers of C-24, C-26, C-28, and C-32 clusters, including fullerenes, is studied using diffusion quantum Monte Carlo methods. We predict that a C-24 isomer is the smallest stable graphitic fragment and that the smallest stable fullerenes are the C-26 and C-28 clusters with C-2v and T-d symmetry, respectively. Given suitable experimental conditions these small fullerenes should therefore be producible in abundance, facilitating production of fullerene-based solids.
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