Cubine, a Quasi Two-Dimensional Copper–Bismuth Nanosheet

Journal Article · Tue Nov 07 00:00:00 EST 2017 · Chemistry of Materials

DOI:https://doi.org/10.1021/acs.chemmater.7b03997· OSTI ID:1480072

Amsler, Maximilian  ^[1]; Yao, Zhenpeng ^[1]; Wolverton, Chris  ^[1]

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1. Department of Materials Science and Engineering, Northwestern University, Evanston, Illinois 60208, United States

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.

• Research Organization: Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). National Energy Research Scientific Computing Center (NERSC)
• Sponsoring Organization: USDOE Office of Science (SC), Basic Energy Sciences (BES)
• DOE Contract Number: AC02-06CH11231
• OSTI ID: 1480072
• Journal Information: Chemistry of Materials, Vol. 29, Issue 22; ISSN 0897-4756
• Country of Publication: United States
• Language: English