Dependence of workfunction on the geometries of single-walled carbon nanotubes
學年 92
學期 2
出版（發表）日期 2004-05-01
作品名稱 Dependence of workfunction on the geometries of single-walled carbon nanotubes
作品名稱（其他語言）
著者 Chen, Chun-wei; Lee, Ming-hsien
單位 淡江大學物理學系
出版者 Institute of Physics (IOP)
著錄名稱、卷期、頁數 Nanotechnology 15(5), pp.480-484
摘要 The effective workfunctions of single-walled carbon nanotubes of armchair (5,5) and zigzag (9,0) with various geometries have been calculated by first-principles calculations. The results show that the capped and H-terminated zigzag (9,0) carbon nanotubes exhibit a lower workfunction value than the armchair (5,5) nanotubes with a similar diameter. The open-ended (without H termination) (5,5) nanotube, on the other hand, shows a lower workfunction than the open-ended (9,0) structure. The former exhibits a significant formation of triple bonds at its mouth part after relaxation, which reduces the surface dipole and lowers its workfunction, the latter exhibits a higher density of unsaturated dangling bonds, raising its surface dipole and giving a higher value of workfunction.
關鍵字 electrical; magnetic and optical Surfaces; interfaces and thin films; Nanoscale science and low-D systems
語言 en
ISSN 0957-4484 1361-6528
期刊性質 國外
收錄於
產學合作
通訊作者 Chen, Chun-wei
審稿制度 是
國別 GBR
公開徵稿
出版型式 電子版 紙本
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