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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… Click to show full 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 candidates.
Keywords:
assisted inverse;
inverse design;
computer assisted;
inorganic electrides
Journal Title: Physical Review X
Year Published: 2017
Link to full text (if available)
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Journal Title: Physical Review X
Year Published: 2017
Link to full text (if available)
Share on Social Media: Sign Up to like & get
recommendations!