Fig. 3: Preferred *OOH adsorption configurations and free-energy profile by DFT studies.
From: Highly active and selective oxygen reduction to H2O2 on boron-doped carbon for high production rates
a–d Preferred *OOH adsorption configurations on B-, P-, N-, and S- doped graphene, respectively. Green, orange, blue, yellow, gray, red, and white spheres represent boron, phosphorous, nitrogen, sulphur, carbon, oxygen and hydrogen, respectively. e Free-energy profile of O2 reduction paths where each state’s charge is corresponding to the potential of URHE = 0.7 V (Supplementary Fig. 19).
