Fig. 6: Theoretical NO3RR activity analysis on RuCu DAs/NGA.
From: Tailoring asymmetric RuCu dual-atom electrocatalyst toward ammonia synthesis from nitrate
a The differential charge densities of RuN4/C, CuN4/C, and RuN2CuN3/C. b The projected density of states of RuN2CuN3/C. c Electrochemical NO3RR pathways and relative free energy on RuN4/C, CuN4/C, and RuN2CuN3/C at U = 0 vs. RHE. d The energy barriers of the key steps on RuN4/C, CuN4/C, and RuN2CuN3/C. Atomic model color: red, Ru; yellow, Cu; green, O; cyan, N; blue, C; light pink, H. Source data for Fig. 6 are provided as a Source Data file.
