尖晶石
阳极
锂(药物)
中子衍射
透射电子显微镜
材料科学
密度泛函理论
电解质
离子
工作(物理)
衍射
结晶学
化学工程
分析化学(期刊)
化学
计算化学
纳米技术
热力学
物理化学
电极
晶体结构
物理
光学
内分泌学
工程类
有机化学
冶金
医学
色谱法
作者
Haodong Liu,Zhuoying Zhu,Julie Huang,Xin He,Yan Chen,Rui Zhang,Ruoqian Lin,Yejing Li,Sicen Yu,Xing Xing,Qizhang Yan,Xiangguo Li,Matthew Frost,Ke An,Jun Feng,Robert Kostecki,Huolin L. Xin,Shyue Ping Ong,Ping Liu
出处
期刊:ACS materials letters
[American Chemical Society]
日期:2019-05-24
卷期号:1 (1): 96-102
被引量:44
标识
DOI:10.1021/acsmaterialslett.9b00099
摘要
In this work, we show that the well-known lithium-ion anode material, Li4Ti5O12, exhibits exceptionally high initial capacity of 310 mAh g–1 when it is discharged to 0.01 V. It maintains a reversible capacity of 230 mAh g–1, far exceeding the “theoretical” capacity of 175 mAh g–1 when this anode is lithiated to the composition Li7Ti5O12. Neutron diffraction analyses identify that additional Li reversibly enters into the Li7Ti5O12 to form Li8Ti5O12. density functional theory (DFT) calculations reveal the average potentials of the Li4Ti5O12 to Li7Ti5O12 step and the Li7Ti5O12 to Li8Ti5O12 step are 1.57 and 0.19 V, respectively, which are in excellent agreement with experimental results. Transmission electron microscopy (TEM) studies confirm that the irreversible capacity of Li4Ti5O12 during its first cycle originates from the formation of a solid electrolyte interface (SEI) layer. This work clarifies the fundamental lithiation mechanism of the Li4Ti5O12, when lithiated to 0.01 V vs Li.
科研通智能强力驱动
Strongly Powered by AbleSci AI