-
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,并初步分析了键长和结合能随布基球半径变化的规律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 dectrease and increase with increasing bucky-ball size, respectively, and both smoothly connects with the corresponding value of the monolayer graphite.
计量
- 文章访问数:7006
- PDF下载量:558
- 被引次数:0