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|標題:||Characterization of Vacancy Defect Interaction on the Electric Properties of Zigzag Single-Walled Carbon Nanotubes||作者:||Luo, Y.P.
|關鍵字:||single-walled carbon nanotube;vacancy defect;density functional theory;total-energy calculations;exchange||Project:||Journal of the Physical Society of Japan||期刊/報告no：:||Journal of the Physical Society of Japan, Volume 78, Issue 9.||摘要:||
Characterization of the interaction between vacancy defects in zigzag single-walled carbon nanotubes (SWCNTs) was carried out through geometric and bandstructure analyses with density functional theory (DFT). This interaction depends on the detail orientation between the defects and, in turns, influences the electric properties of the defective zigzag SWCNTs if any two defects are within the defect influencing, range. Our results shed some light on the origin of the instability found in the electric properties of SWCNTs.
|Appears in Collections:||化學系所|
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