Structural and electronic properties of defective open-ended single-walled achiral carbon nanotubes：A theoretical study
碩士 === 中興大學 === 化學系所 === 95 === We have successfully demonstrated the full optimization on armchair and zigzag SWNT with 5-1DB or stone-wales defect with B3LYP/6-31G(d,p) level. With the analyses in both molecular and electronic structures, we investigated how the types of the defect effect the carb...
| Main Authors: | , |
|---|---|
| Other Authors: | |
| Format: | Others |
| Language: | en_US |
| Published: |
2007
|
| Online Access: | http://ndltd.ncl.edu.tw/handle/46656396534905001928 |