Fig. 2: Structures and adsorption properties of DACs.
From: Surface states of dual-atom catalysts should be considered for analysis of electrocatalytic activity
a Structure and coordinating environment of Fe-Ni-N1,2,3,4,5,6-C, where yellow, green, blue, and silvery spheres represent Ni, Fe, N, and C, respectively. b Optimized configurations with the DAC adsorbed with 1H*, 2H*, 1O*, 2O*, 1HO*, and 2HO*, using Fe-Ni-N1,2,3,4,5,6-C as the example. Red and light pink spheres represent O and H, respectively. c Linear scaling relations of O∗ vs. HO* adsorption energies at SACs and DACs, where red and green data points represent SACs and DACs, respectively.
