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

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 sp(3)-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 ma-terial 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 (asymptotic to 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.

Automated summary

To achieve high-efficiency electrochemical energy storage, the battery anode needs to be electronically and ionically conductive. Recent research has found that three-dimensional porous materials composed of carbon and/or boron have great potential for lithium/sodium-ion batteries. This study explores the 3D porous boron nitride network, which exhibits stability, high specific capacity, fast ion diffusion, and other desirable characteristics for battery anodes.