关键词: 材料基因组/
固态锂电池/
固体电解质/
低应变电极
English Abstract
Development of new lithium battery materials by material genome initiative
Xiao Rui-Juan,Li Hong,
Chen Li-Quan
1.Key Laboratory for Renewable Energy, Institute of Physics, Chinese Academy of Sciences, Beijing 100190, China
Fund Project:Project supported by the National Natural Science Foundation of China (Grant No. 51772321), the Beijing S T Project, China (Grant No. D171100005517001), the National Key Research and Development Program of China (Grant No. 2017YFB0701602), and the Youth Innovation Promotion Association CAS (Grant No. 2016005).Received Date:11 April 2018
Accepted Date:27 April 2018
Published Online:20 June 2019
Abstract:After the continuous research on the discovering new materials based on theoretical methods and material genome initiative, the high-throughput simulation platform is established. With this new research mode and platform, the screening, optimization and design of lithium battery materials are realized by using lithium migration properties as criteria. The attempt at introducing machine learning method into material design is also made. With the high-throughput bond-valence calculations, two coating materials for Li-rich cathode are found, the modified -Li3PS4 and a new layered oxysulfide as novel lithium superionic conductors are designed, and the relationship between the volume change of electrode during delithiation and the atomic structure is investigated. The application of the material genome method to the development of lithium battery materials provides the possibility to promote this new research and development model in other types of materials.
Keywords: materials genome initiative/
solid state lithium battery/
solid state electrolyte/
low-strain electrode
