Nitrogen-coordinated iridium doped on blue phosphorene as a bidirectional electrocatalyst for lithium–oxygen batteries: a first-principles study

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.