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Assembling Si2BN nanoribbons into a 3D porous structure as a universal anode material for both Li- and Na-ion batteries with high performance.
Nanoscale ( IF 5.8 ) Pub Date : 2020-08-19 , DOI: 10.1039/d0nr05143h
Umer Younis 1 , Imran Muhammad 1 , Wei Wu 1 , S Ahmed 2 , Qiang Sun 3 , Puru Jena 4
Affiliation  

The development of anode materials is critical to the success of sodium ion batteries (SIBs). Because of the size difference between Li and Na, the commercial anode material graphite in Li-ion batteries does not work for Na-ion batteries. Thus, it will be ideal if some universal anode materials could work for both Li- and Na-ion batteries with high performance. Inspired by a recent study on the high performance of a 2D-Si2BN sheet as an anode material for Li-ion batteries, we design a three dimensional (3D) porous structure by using the nanoribbons of a Si2BN sheet as building blocks. Based on the state-of-the-art ab initio calculations, we find that the resulting 3D porous Si2BN structure is stable chemically, dynamically and thermally, exhibiting a high specific capacity of 512.42 (341.61 mA h g−1), a low voltage of 0.27 V (0.15 V), a small volume expansion of 2.5% (2.7%), and a low migration energy barrier of 0.44 eV (0.19 eV) for Li- (Na-) ion batteries. These intriguing features, together with the light mass and rich abundance of Si, B and N, suggest that the 3D porous Si2BN structure is a promising candidate for the anode material of both Li- and Na-ion batteries.

中文翻译:

将Si2BN纳米带组装成3D多孔结构,作为高性能锂离子电池和钠离子电池的通用阳极材料。

阳极材料的开发对于钠离子电池(SIB)的成功至关重要。由于锂和钠之间的大小差异,锂离子电池中的商用负极材料石墨不适用于钠离子电池。因此,如果某些通用阳极材料可同时用于高性能锂离子电池和钠离子电池,则将是理想的。受最近关于2D-Si 2 BN薄板作为锂离子电池负极材料的高性能研究的启发,我们以Si 2 BN薄板的纳米带为基础,设计了三维(3D)多孔结构。根据最新的从头算计算,我们发现生成的3D多孔Si 2BN结构在化学,动态和热方面均是稳定的,具有512.42(341.61 mA hg -1)的高比电容,0.27 V(0.15 V)的低电压,2.5%(2.7%)的小体积膨胀,以及锂(Na-)离子电池的迁移能垒低至0.44 eV(0.19 eV)。这些引人入胜的特征,以及轻量和丰富的Si,B和N含量,表明3D多孔Si 2 BN结构是锂离子和钠离子电池负极材料的有希望的候选者。
更新日期:2020-10-02
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