Theoretical Studies on the Properties of Polyacene Doped with C60 as the Anode of Lithium Ion Battery

Abstract

Abstract: According to semi-empirical method of AM1, the compounds which are located inside or outside C₆₀ have been optimized. The results showed polyacenic semiconductor doped with C₆₀ could absorb much more lithium ion, and lithium ions are easy to inset C₆₀. The reason of improvement of polyacenic semiconductor conducting properties was analyzed theoretically, and the best doping proportion of C₆₀ to polyacenic semiconductor was predicted.

Key words: C₆₀, Polyacene, Lithiumion battery, AM1

CLC Number:

O641

TrendMD:

ZHAO Yan-Ling, ZHOU De-Feng, PAN Xiu-Mei, SU Zhong-Min, WANG Rong-Shun  . Theoretical Studies on the Properties of Polyacene Doped with C₆₀ as the Anode of Lithium Ion Battery[J]. Chem. J. Chinese Universities, 2002, 23(7): 1335.

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Theoretical Studies on the Properties of Polyacene Doped with C₆₀ as the Anode of Lithium Ion Battery

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