Fig. 8. (A) Top view of h-BN based single atom catalysts. B-SV, N-SV, and DV indicate a boron and a nitrogen single vacancy and a double vacancy, respectively. (B) Dissolution potentials vs. formation energies of metal atoms doped in the vacancies of h-BN. Catalysts in the pink region are stable in terms of both formation energy and dissolution potential. The details of the calculations can be found in the previous publication.³⁹ (C) The calculated ORR limiting potentials (U_L) for several examined transition metals doped in the B-vac. of h-BN. Note that we only considered B-SV, since it is the most stable configuration. Color code: boron (pink), nitrogen (blue), and metal (green).