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Title: Cubine, a Quasi Two-Dimensional Copper–Bismuth Nanosheet

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.

Authors:
ORCiD logo [1];  [1]; ORCiD logo [1]
  1. Department of Materials Science and Engineering, Northwestern University, Evanston, Illinois 60208, United States
Publication Date:
Research Org.:
Lawrence Berkeley National Laboratory-National Energy Research Scientific Computing Center
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
OSTI Identifier:
1480072
DOE Contract Number:  
AC02-06CH11231
Resource Type:
Journal Article
Journal Name:
Chemistry of Materials
Additional Journal Information:
Journal Volume: 29; Journal Issue: 22; Journal ID: ISSN 0897-4756
Country of Publication:
United States
Language:
English

Citation Formats

Amsler, Maximilian, Yao, Zhenpeng, and Wolverton, Chris. Cubine, a Quasi Two-Dimensional Copper–Bismuth Nanosheet. United States: N. p., 2017. Web. doi:10.1021/acs.chemmater.7b03997.
Amsler, Maximilian, Yao, Zhenpeng, & Wolverton, Chris. Cubine, a Quasi Two-Dimensional Copper–Bismuth Nanosheet. United States. doi:10.1021/acs.chemmater.7b03997.
Amsler, Maximilian, Yao, Zhenpeng, and Wolverton, Chris. Tue . "Cubine, a Quasi Two-Dimensional Copper–Bismuth Nanosheet". United States. doi:10.1021/acs.chemmater.7b03997.
@article{osti_1480072,
title = {Cubine, a Quasi Two-Dimensional Copper–Bismuth Nanosheet},
author = {Amsler, Maximilian and Yao, Zhenpeng and Wolverton, Chris},
abstractNote = {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.},
doi = {10.1021/acs.chemmater.7b03997},
journal = {Chemistry of Materials},
issn = {0897-4756},
number = 22,
volume = 29,
place = {United States},
year = {2017},
month = {11}
}