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Title: Assembling Si2BN nanoribbons into a 3D porous structure as a universal anode material for both Li- and Na-ion batteries with high performance

Abstract

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. Finally, 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.

Authors:
ORCiD logo [1]; ORCiD logo [1]; ORCiD logo [1];  [2]; ORCiD logo [1]; ORCiD logo [3]
+ Show Author Affiliations
  1. Peking Univ., Beijing (China)
  2. Xi'an Jiaotong Univ., Shaanxi (China)
  3. Virginia Commonwealth Univ., Richmond, VA (United States)
Publication Date:
Research Org.:
Virginia Commonwealth Univ., Richmond, VA (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES). Materials Sciences & Engineering Division; National Natural Science Foundation of China (NSFC); National Key Research and Development Program of China; USDOE
OSTI Identifier:
1850119
Alternate Identifier(s):
OSTI ID: 1664461
Grant/Contract Number:  
FG02-96ER45579; 21973001; 2016YFB0100200
Resource Type:
Accepted Manuscript
Journal Name:
Nanoscale
Additional Journal Information:
Journal Volume: 12; Journal Issue: 37; Journal ID: ISSN 2040-3364
Publisher:
Royal Society of Chemistry
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY

Citation Formats

Younis, Umer, Muhammad, Imran, Wu, Wei, Ahmed, S., Sun, Qiang, and Jena, Puru. Assembling Si2BN nanoribbons into a 3D porous structure as a universal anode material for both Li- and Na-ion batteries with high performance. United States: N. p., 2020. Web. doi:10.1039/d0nr05143h.
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Younis, Umer, Muhammad, Imran, Wu, Wei, Ahmed, S., Sun, Qiang, & Jena, Puru. Assembling Si2BN nanoribbons into a 3D porous structure as a universal anode material for both Li- and Na-ion batteries with high performance. United States. https://doi.org/10.1039/d0nr05143h
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Younis, Umer, Muhammad, Imran, Wu, Wei, Ahmed, S., Sun, Qiang, and Jena, Puru. Wed . "Assembling Si2BN nanoribbons into a 3D porous structure as a universal anode material for both Li- and Na-ion batteries with high performance". United States. https://doi.org/10.1039/d0nr05143h. https://www.osti.gov/servlets/purl/1850119.
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@article{osti_1850119,
title = {Assembling Si2BN nanoribbons into a 3D porous structure as a universal anode material for both Li- and Na-ion batteries with high performance},
author = {Younis, Umer and Muhammad, Imran and Wu, Wei and Ahmed, S. and Sun, Qiang and Jena, Puru},
abstractNote = {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. Finally, 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.},
doi = {10.1039/d0nr05143h},
journal = {Nanoscale},
number = 37,
volume = 12,
place = {United States},
year = {Wed Aug 19 00:00:00 EDT 2020},
month = {Wed Aug 19 00:00:00 EDT 2020}
}
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https://doi.org/10.1039/d0nr05143h
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