High-throughput theoretical design of lithium battery materials

The rapid evolution of high-throughput theoretical design schemes to discover new lithium battery materials is re- viewed, including fiigh-capacity cathodes, low-strain cathodes, anodes, solid state eleclrolytes, and electrolyte additives. With tfie development of efficient theoretical methods and i...

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Bibliographic Details
Published in	Chinese physics B Vol. 25; no. 1; pp. 97 - 105
Main Author	凌仕刚高健肖睿娟陈立泉
Format	Journal Article
Language	English
Published	01.01.2016
Subjects	Cathodes Computer simulation Criteria Electrolytes Energy density Lithium batteries Searching 应变能力理论设计电池材料电解液添加剂结构数据库自动仿真锂电池高通量
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ISSN	1674-1056 2058-3834 1741-4199
DOI	10.1088/1674-1056/25/1/018208

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Summary:	The rapid evolution of high-throughput theoretical design schemes to discover new lithium battery materials is re- viewed, including fiigh-capacity cathodes, low-strain cathodes, anodes, solid state eleclrolytes, and electrolyte additives. With tfie development of efficient theoretical methods and inexpensive computers, high-throughput theoretical calculations have played an increasingly important role in the discovery of new malerials. With the help of automatic simnlation flow, many types of materials can be screened, optimized and designed from a structural database according to specific search criteria. In advanced cell technology, new materials for next generation lithium batteries are of great significance to achieve perlbmmnce, and some representative criteria are： higher energy density, better safety, and faster charge/discharge speed.
Bibliography:	lithium battery materials, high-throughput calculations, density functional theory, virtual screen- ing The rapid evolution of high-throughput theoretical design schemes to discover new lithium battery materials is re- viewed, including fiigh-capacity cathodes, low-strain cathodes, anodes, solid state eleclrolytes, and electrolyte additives. With tfie development of efficient theoretical methods and inexpensive computers, high-throughput theoretical calculations have played an increasingly important role in the discovery of new malerials. With the help of automatic simnlation flow, many types of materials can be screened, optimized and designed from a structural database according to specific search criteria. In advanced cell technology, new materials for next generation lithium batteries are of great significance to achieve perlbmmnce, and some representative criteria are： higher energy density, better safety, and faster charge/discharge speed. 11-5639/O4 ObjectType-Article-1 SourceType-Scholarly Journals-1 ObjectType-Feature-2 content type line 23
ISSN:	1674-1056 2058-3834 1741-4199
DOI:	10.1088/1674-1056/25/1/018208