Computer-Assisted Inverse Design of Inorganic Electrides
Computer-Assisted Inverse Design of Inorganic Electrides
复制标题
无机电子化合物的计算机辅助逆设计
DOI：
10.1103/physrevx.7.011017
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发表时间：
2017
影响因子：
12.5
通讯作者：
Ma Yanming
中科院分区：
文献类型：
--
作者：
Zhang Yunwei;Wang Hui;Wang Yanchao;Zhang Lijun;Ma Yanming
Electrides are electron-rich compounds with a range of potential applications as catalysts and reducing agents. A new computer-assisted design methodology has been developed which can efficiently identify potential inorganic electrides and has found 89 new candidates.
