Journal
JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS
Volume 69, Issue 10, Pages 2531-2534Publisher
PERGAMON-ELSEVIER SCIENCE LTD
DOI: 10.1016/j.jpcs.2008.05.011
Keywords
Electrical conductivity; Electronic structure; Transport properties
Funding
- Research Fund for the Doctoral Program of Higher Education [20060027001]
- Major State Basic Research Development Programs [2002CB613406]
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Structure and electronic properties of zigzag single-walled carbon nanotubes with multi-dichlorocarbene addition are investigated using self-consistent field crystal orbital method. It is found that the addition can cause large deformation of the tubes and significantly modify the band structures. The addition can even cause semi conductor-metal phase transition. Furthermore, the mobility and conductivity are also calculated using the deformation potential approach for the addition systems. (C) 2008 Elsevier Ltd. All rights reserved.
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