Temperature-Dependent Dynamic Properties of LixMn2O4 in Monte Carlo Simulations
OUYANG Chu-Ying1,2, 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
Temperature-Dependent Dynamic Properties of LixMn2O4 in Monte Carlo Simulations
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
Abstract： Monte Carlo (MC) simulations are used to simulate the voltage profile and the ionic conductivity s of Li ions in LixMn2O4 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.
OUYANG Chu-Ying;SHI Si-Qi;WANG Zhao-Xiang;LI Hong;HUANG Xue-Jie;CHEN Li-Quan. Temperature-Dependent Dynamic Properties of LixMn2O4 in Monte Carlo Simulations[J]. 中国物理快报, 2005, 22(2): 489-492.
OUYANG Chu-Ying, SHI Si-Qi, WANG Zhao-Xiang, LI Hong, HUANG Xue-Jie, CHEN Li-Quan. Temperature-Dependent Dynamic Properties of LixMn2O4 in Monte Carlo Simulations. Chin. Phys. Lett., 2005, 22(2): 489-492.
2005, Vol. 22 
