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First-principles study of interaction of lithium atoms with H-adsorbed (3, 3) single-walled carbon nanotube

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4 Author(s)
Zhi-Jun Jia ; Coll. of Inf. Sci. & Eng., Ocean Univ. of China, Tsingtao, China ; Shun-Fu Xu ; Guang Yuan ; Lin-Peng Li

In this paper, we have employed density functional theory to investigate the adsorption mechanisms of one lithium atom on sidewalls of H-adsorbed (3, 3) single-walled carbon nanotubes (SWCNTs) which have vacancy defects. An understanding of influence of hydrogen adsorption and vacancy defects on lithium adsorption is obtained.

Published in:

Vacuum Electron Sources Conference (IVESC), 2012 IEEE Ninth International

Date of Conference:

24-26 April 2012