Temperature-Dependent Dynamic Properties of LixMn2O4 in Monte Carlo Simulations

Chin. Phys. Lett.

2005, Vol. 22

Issue (2): 489-492 DOI:

Original Articles

Temperature-Dependent Dynamic Properties of Li_xMn₂O₄ in Monte Carlo Simulations

OUYANG Chu-Ying^1,2;SHI Si-Qi¹;WANG Zhao-Xiang¹;LI Hong¹;HUANG Xue-Jie¹;CHEN Li-Quan¹

¹Laboratory for Solid State Ionics, Institute of Physics, Chinese Academy of Sciences, PO Box 603, Beijing 100080 ²Department of Physics, Jiangxi Normal University, Nanchang 330027

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OUYANG Chu-Ying, SHI Si-Qi, WANG Zhao-Xiang et al 2005 Chin. Phys. Lett. 22 489-492

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Abstract Monte Carlo (MC) simulations are used to simulate the voltage profile and the ionic conductivity s of Li ions in Li_xMn₂O₄ and its dependence on the lithium concentration x. The open circuit potential shows clearly the two plateaus in the charge/discharge curve, which agrees well with the experimental results. The two plateaus become more and more steep when the temperature is increased. The simulated ionic conductivity shows an M-shaped curve in the plot of ionic conductivity σ versus x when the simulation temperature is low. Interestingly, the minimum valley, which lies at the middle single-phase area near x = 0.5, disappears gradually when the temperature increases to 453K.

Keywords: 82.47.Aa 02.70.Uu 66.30.-h

Published: 01 February 2005

PACS:	82.47.Aa	(Lithium-ion batteries)
	02.70.Uu	(Applications of Monte Carlo methods)
	66.30.-h	(Diffusion in solids)

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https://cpl.iphy.ac.cn/ OR https://cpl.iphy.ac.cn/Y2005/V22/I2/0489

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	OUYANG Chu-Ying
	SHI Si-Qi
	WANG Zhao-Xiang
	LI Hong
	HUANG Xue-Jie
	CHEN Li-Quan

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