First principles study of P-doped borophene as anode materials for lithium ion batteries
Source abstract
Abstract
Abstract In this paper, Li storage in P-doped borophene nanosheet was stimulated by Density Functional Theory (DFT). Without destroying the nanosheet structure, borophene doped with P atom possessed high binding energy of 3.42 eV. The electronic properties, binding energy, capacity and open-circuit voltage of P-doped borophene were calculated. These results demonstrated that P-doping has a positive effect on the Li storage of borophene nanosheet. Besides, the maximum adsorption number of Li atoms in P-doped borophene is 18, accompanied with an ultra-high theoretical capacity of 1732 mAh/g.
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Research context
OpenAlex topics: Advancements in Battery Materials · Graphene research and applications · Boron and Carbon Nanomaterials Research
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