Computer-Assisted Inverse Design of Inorganic Electrides
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DOI: 10.1103/physrevx.7.011017
Abstract: 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… read more here.
Keywords: assisted inverse; inverse design; computer assisted; inorganic electrides ... See more keywords