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First-principles study reveals N-coordinated Ir enhances performance in lithium–oxygen batteries, suggesting new approaches for energy storage.
N-coordinated Ir single atoms on blue phosphorene (Ir–N3@P) serve as an efficient bifunctional electrocatalyst for Li–O 2 batteries. The near-neutral charge center enables favorable LiO 2 binding energy of 3.18 eV and outstanding redox activity.
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Duan et al. (2025) studied this question.
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