Two-dimensional metallic BP as anode material for lithium-ion and sodium-ion batteries with unprecedented performance
Source abstract
Abstract
Improving the storage capacities of electrode materials is one of the most critical points for ion batteries. Two-dimensional (2D) topological semimetals with high carrier mobility are naturally suitable as electrode materials. Herein, using the first-principle calculations, 2D BP monolayer with Dirac-type band structure is predicted to be a superior anode material with ultrahigh capacity for both Li/Na-ion batteries. The BP monolayer remains metallic after the adsorption of Li/Na ions, ensuring a good conductivity. Furthermore, BP owns low diffusion barriers (0.35 eV for Li ions and 0.16 eV for Na ions) and a moderate lattice change (3%) during the process of charging and discharging. Remarkably, the storage capacity of monolayer BP is enhanced to 1924 mAh/g by multilayer adsorption of both Li/Na ions, much higher than those of most previous 2D anode materials. All these characteristics strongly suggest that BP has great potential as a superior anode material in Li/Na-ion batteries.
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Research context
OpenAlex topics: Advancements in Battery Materials · Graphene research and applications · MXene and MAX Phase Materials
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References (60)
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