We report on the discovery of a 2-dimensional copper-bismuth nano sheet from ab initio calculations, which we call cubine. According to our predictions, single layers of cubine can be isolated from the recently reported high-pressure CuBi bulk material (metastable at ambient conditions) at an energetic cost of merely ≈ 20 meV/Å2, comparable to separating single layers of graphene from graphite. Our calculations suggest that cubine has remarkable electronic and electrochemical properties: It is a superconductor with a moderate electron-phonon coupling λ = 0.5, leading to a Tc of ≈ 1 K, and can be readily intercalated with lithium with a high diffusibility, rendering it a promising candidate material as an anode in lithium-ion batteries.
|Original language||English (US)|
|State||Published - Apr 10 2017|
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