2021
DOI: 10.1103/physrevapplied.15.034025 View full text |Buy / Rent full text
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Abstract: Electrochemically efficient electrode materials are required for clean energy storage in Li ion batteries. We predict two-dimensional hexagonal metal nitrides, borides, and phosphides (Sc 2 B, Sc 2 N, Y 2 B, Y 2 N, and Y 2 P) and evaluate the feasibility of experimental realization. The materials combine excellent metallicity, as required for electrodes, with Li binding energies providing high storage capacity and a low average open-circuit voltage. In contrast to two-dimensional silicene, borophene, and SnS 2… Show more

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