Flexible 3D porous boron nitride interconnected network as a high-performance Li-and Na-ion battery electrodes

Journal article (2022)

Authors

N. Khossossi Uppsala University

Deobrat Singh Uppsala University

Wei Luo Uppsala University

Rajeev Ahuja Uppsala University, Indian Institute of Technology Ropar

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3D porous boron nitride Elechtrochemical energy storage Lithium ion battery Lz1-BN Sodium ion battery density-functional calculations Zigzag BN nanoribbons

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Published Date

2022

Language

English

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Abstract

To achieve the high-rate efficiency in a electrochemical energy storage technologies, it is vital for the battery anode to be electronically as well as ionically conductive. Such a requirement has boosted the survey of three-dimensional (3D) porous networks made up of light-weight non-metallic elements, like carbon, boron, and nitride. A wide range of 3D porous materials composed of carbon and/or boron for Li/Na-ion batteries have been recently reported, whereas analogous efforts for lightest 3D porous boron nitride are yet to be addressed. In this work, we explore the 3D porous boron nitride network namely sp³-linked zigzag BN nanoribbons (BNNRs) with a width of 1 (lz1-BN) by assembling the 2D zigzag BNNRs and its first ever application as battery anodes for Li and Na ion batteries. Upon a consistent DFT and AIMD computations, It is revealed that the 3D porous lz1-BN material is chemically and thermally stable and yields a high specific capacity of about 539.94 mAh/g with respect to the commercialized graphite (372 mAh/g for LIBs) and recently reported Janus-graphite anode (≈332 mAh/g for SIBs), fast (Li⁺,Na⁺)-ionic diffusion, low potential voltage, and slight volume-expansion. Such puzzling electrochemical characteristics, along with the light-weight and high abundance of B and N elements, strongly support the possibility of 3D porous BN as a desirable candidate for Li and Na-ion battery anodes.