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中国物理学会期刊

一类高对称结构碳布基球的键长和结合能

CSTR: 32037.14.aps.45.1999

BOND LENGTHS OF BUCKY-BALLS WITH HIGH SYMMETRY

CSTR: 32037.14.aps.45.1999
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  • 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.

     

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