Cubine, a Quasi Two-Dimensional Copper-Bismuth Nanosheet

Maximilian Amsler*, Zhenpeng Yao, Chris Wolverton

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

7 Scopus citations

Abstract

We report on the discovery of a quasi two-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 at an energetic cost of merely ≈20 meV/Å2, comparable to values to separate 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 Tc ≈ 1 K, and can be readily intercalated with lithium with a high diffusibility, rendering it a promising candidate material to boost the rate capacity of current electrodes in lithium-ion batteries.

Original languageEnglish (US)
Pages (from-to)9819-9828
Number of pages10
JournalChemistry of Materials
Volume29
Issue number22
DOIs
StatePublished - Nov 28 2017

ASJC Scopus subject areas

  • Chemistry(all)
  • Chemical Engineering(all)
  • Materials Chemistry

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