Computational mining of endohedral C70 electrides: tri-metal alkali and alkaline-earth encapsulation.
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DOI: 10.1039/d2dt02919g
Abstract: C70 is the second most abundant fullerene next to C60. In this work, the exploration of C70 based electrides is proposed by theoretical encapsulation of group I/II trimetallic clusters into the C70 cage. Herein, we… read more here.
Keywords: c70; encapsulation; alkaline earth; computational mining ... See more keywords