摘要
根据经验性模型势描述碳原子的相互作用，计算了一类高对称结构碳布基球键长和结合能。
Based on an empirical potential,we have performed calculations of bond lengths of carbon bucky balls with high symmetry. Bond length of a monolayer graphite, considered as an extremely large bucky ball, has also been calculated. The calculated bond lengths of single bonds and double bonds decrease and increase with increasing bucky ball size, respectively, and both smoothly connects with the corresponding value of the monolayer graphite.
出处
《物理学报》
SCIE
EI
CAS
CSCD
北大核心
1996年第12期1999-2004,共6页
Acta Physica Sinica
基金
国家自然科学基金
