摘要
用分子团簇法计算了三种边界条件下单层纳米碳管的电子结构，依靠得到的态密度、能级、分子轨道和结合能，对合成纳米尺度器件时可能出现的结果进行了预测。
Electron structures of single-walled carbon nanotubes in three types of boundary conditions are investigated by use of the molecular cluster method in this paper. Depended on density of states, energy level, molecular orbitals, and binding energy obtained, the different results are predicted in the synthesis of nano-scale meter devices depending on these carbon nanotubes.
出处
《材料研究学报》
EI
CAS
CSCD
北大核心
2001年第1期91-96,共6页
Chinese Journal of Materials Research
基金
八六三计划新材料领域资助项目!863-715-010-0013
