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:Ab initio calculations of dimensional and adsorbate effects on the workfunction of single-walled carbon nanotube
學年
學期
出版(發表)日期2003/03/01
作品名稱Ab initio calculations of dimensional and adsorbate effects on the workfunction of single-walled carbon nanotube
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Elsevier
著錄名稱、卷期、頁數Diamond and Related Materials 12(3-7), pp.565-571
摘要The workfunctions of single-walled carbon nanotubes (SWNTs) with various geometries and adsorbates have been calculated by the ab initio plane-wave, pseudopotential method. The infinitely-long, capped, open-ended, and close-ended nanotubes show the workfunctions of 4.73, 4.8, 4.43 and 3.75 eV, respectively, and these results exhibit a good agreement with experiments. The effects of participation of foreign adsorbates on the nanotube surface both physically and chemically on the variations of workfunctions have also been studied. In the physisorption process, the electrostatic interaction between adsorbates and nanotubes leads to surface charge redistribution and to workfunction variations. In the chemisorption process, various values in workfunction can be understood in terms of the surface dipole of the terminated bond.
關鍵字Carbon nanotube; Filed emission; Workfunction; Simulation
語言英文
ISSN0925-9635
期刊性質國外
收錄於SCI
產學合作
通訊作者Chen, Chun-wei
審稿制度
國別瑞士
公開徵稿
出版型式電子版
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