教師資料查詢 | 類別: 期刊論文 | 教師: 李明憲 LEE, MING-HSIEN (瀏覽個人網頁)

標題:Dependence of workfunction on the geometries of single-walled carbon nanotubes
學年
學期
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
語言英文
ISSN0957-4484;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
國別英國
公開徵稿
出版型式電子版;紙本
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