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Cubine, a Quasi Two-Dimensional Copper–Bismuth Nanosheet
Chemistry of Materials ( IF 8.6 ) Pub Date : 2017-11-10 00:00:00 , DOI: 10.1021/acs.chemmater.7b03997
Maximilian Amsler 1 , Zhenpeng Yao 1 , Chris Wolverton 1
Affiliation  

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.

中文翻译:

Cubine,一种准二维铜铋纳米片

我们从头计算就发现了准二维铜-铋纳米片的发现,我们称其为长方体。根据我们的预测,cubine的单个层可以从最近报道高压CUBI散装材料在仅仅≈20毫电子伏特/ A的能量消耗分离2,可比值以石墨烯的单层石墨分离。我们的计算表明,立方晶具有显着的电子和电化学特性:它是具有适度电子-声子耦合λ= 0.5的超导体,导致T c ≈1 K,并且可以容易地以高扩散性插入锂中,这使其成为提高锂离子电池中电流电极倍率容量的有前途的候选材料。
更新日期:2017-11-11
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