Abstract
The quantum chemical DV-X_α method was used to calculate the lithium-doped models from one-Li-dopant to LiC_6 and LiC_2. It was found that Li~+ has an tendency to attract electrons from the carbon plane through the C_6 hexagons lying above or below it by the graph of charge-density difference. It was shown that LiC_6 can exist steadily,while LiC_2 can not exist steadily.
Publication Date
2004-02-28
Online Available Date
2004-02-28
Revised Date
2004-02-28
Received Date
2004-02-28
Recommended Citation
Chang-guo CHEN, Hong-min ZHANG, Jia CHEN, Dan-mei YU.
The Interaction in Doping Lithium of Carbonaneous Anode in Lithium Ion Battery[J]. Journal of Electrochemistry,
2004
,
10(1): 46-50.
DOI: 10.61558/2993-074X.1544
Available at:
https://jelectrochem.xmu.edu.cn/journal/vol10/iss1/8
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