摘要
采用巨正则蒙特卡罗(GCMC GrandCanonicalMonteCarlo)方法[11],系统地研究了锯齿(Zigzag)型单壁碳纳米管(SWNT SingleWalledCarbonNanotubes)的储氢性能,得到了管径和管长与储氢能力的关系曲线,给出了氢在碳纳米管中的分布,并对碳纳米管储氢能力的表征提出了建设性意见.
The capability of hydrogen storage in zigzag single\|walled carbon nanotubes is investigated.Relations of diameter and length with the hydrogen reserves and the distribution of hydrogen storage in single\|walled carbon nanotubes are obtained.A new expression of hydrogen storage capability is presented.
出处
《计算物理》
CSCD
北大核心
2003年第3期255-258,共4页
Chinese Journal of Computational Physics