Cation mixing (Li_(0.5)Fe_(0.5))_2SO_4F cathode material for lithium-ion batteries  

作　　者：孙洋 刘磊 董金平 张斌 黄学杰 

机构地区：[1]Beijing National Laboratory for Condensed Matter Physics,Institute of Physics,Chinese Academy of Sciences

出　　处：《Chinese Physics B》2011年第12期1-7,共7页中国物理B（英文版）

基　　金：supported by the National High Technology Research and Development Program of China (Grant No. 2009AA033101)

摘　　要：We study the crystal structure of a triplite-structured （Li0.5Fe0.5）SO4F with full Li＋/Fe2＋ mixing. This promising polyanion cathode material for lithium-ion batteries operates at 3.9 V versus Li＋/Li with a theoretical capacity of 151 mAh/g. Its unique cation mixing structure does not block the Li＋ diffusion and results in a small lattice volume change during the charge/discharge process. The calculations show that it has a three-dimensional network for Li-ion migration with an activation energy ranging from 0.53 eV to 0.68 eV, which is comparable with that in LiFePO4 with only one-dimensional channels. This work suggests that further exploring cathode materials with full cation mixing for Li-ion batteries will be valuable.We study the crystal structure of a triplite-structured （Li0.5Fe0.5）SO4F with full Li＋/Fe2＋ mixing. This promising polyanion cathode material for lithium-ion batteries operates at 3.9 V versus Li＋/Li with a theoretical capacity of 151 mAh/g. Its unique cation mixing structure does not block the Li＋ diffusion and results in a small lattice volume change during the charge/discharge process. The calculations show that it has a three-dimensional network for Li-ion migration with an activation energy ranging from 0.53 eV to 0.68 eV, which is comparable with that in LiFePO4 with only one-dimensional channels. This work suggests that further exploring cathode materials with full cation mixing for Li-ion batteries will be valuable.

关 键 词：lithium-ion battery cathode material triplite cation mixing 

分 类 号：TM912[电气工程—电力电子与电力传动] TU398[建筑科学—结构工程]