Discovery and design of lithium battery materials via high-throughput modeling

• 来源期刊: 中国物理B（英文版）
• 关键词: Materials Genome Initiative lithium battery materials high-throughput simulations material de-sign
• 年，卷（期）: 2018,（12）
• 页码范围: 30-38
• 页数: 9页
• 语种: 英文
• DOI: 10.1088/1674-1056/27/12/128801

摘要

This paper reviews the rapid progress in the field of high-throughput modeling based on the Materials Genome Initia-tive, and its application in the discovery and design of lithium battery materials. It offers examples of screening, optimiza-tion and design of electrodes, electrolytes, coatings, additives, etc. and the possibility of introducing the machine learning method into material design. The application of the material genome method in the development of lithium battery materials provides the possibility to speed up the upgrading of new candidates in the discovery of lots of functional materials.