利用第一原理計算方法探討碳相關之奈米材料之場發射特性(2/2)
Date Issued
2003
Date
2003
Author(s)
DOI
912112M002060
Abstract
The effective workfunctions of single-walled
carbon nanotubes (5,5) (SWNTs) with various
geometries and adsorbates under external
electric field have been calculated by the ab
initio plane-wave, pseudopotential method. In
addition, 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
plays an important role under external electric
field. In the chemisorption process, the
variations of effective workfunctions can be
understood in terms of the surface dipole of the
terminated bond due to the different
electronegativity between nanotubes and
adsorbates.
Publisher
臺北市：國立臺灣大學材料科學與工程學研究所
Type
report
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