Computational mining of endohedral C₇₀ electrides: tri-metal alkali and alkaline-earth encapsulation

Abstract

C70 is the second most abundant fullerene in addition to C60. In this work, the exploration of C70 based electrides is proposed by theoretical encapsulation of group I/II trimetallic clusters...

Predicted superconductivity in one-dimensional A3Hf2B3-type electrides

“…19–21 The exploration and development of novel electrides are still ongoing and of great interest. 22–25…”

“…[19][20][21] The exploration and development of novel electrides are still ongoing and of great interest. [22][23][24][25] Based on the distribution of anionic electrons, electrides can be categorized into zero-dimensional (0D), one-dimensional (1D), and two-dimensional (2D). 26 For 0D electrides, the electrons are localized at specic positions, forming electron anion pairs or isolated electron anions.…”