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. 2020 Feb 18;11:938. doi: 10.1038/s41467-020-14565-w

Fig. 5. The free energy diagram of MN2C and its possible reaction pathway.

Fig. 5

a The free energy diagram of MN2C at different optimized adsorbed reaction sites at 1.23 V and the full oblique lines and corresponding value shows the RDS and energy barriers of catalysts. b Favorable reaction pathway of MN2C. And the active sites are Mg and C1 atoms. Green, blue, red, white and gray balls represent metal, N, O, H, and C atoms, respectively. Specially, the O* is adsorbed at both Mg and C1 adjacent to N atoms in (iv).