Fig. 5: The one-dimensional reaction phase diagrams (1D-RPDs) and activity trend for N2 and N2O productions at 0 V vs. RHE.
From: Steering from electrochemical denitrification to ammonia synthesis
a, b The path preference of (a) p-N2O* (blue) on strongly reactive TMs (GadNOH* <−1.46 eV) and (b) dis-N2O* (red) over others with GadNOH* from −1.46 to 0.9 eV, compared to non-N2O* path (black), where the selective key steps are marked explicitly. c The selectivity analysis for N2 and N2O productions are colored in blue and red, respectively, where the ΔGRPD-limiting steps and key steps for product selection are shown in solid and dashed lines, respectively. d The measured activity trends (fitted blue and red lines) for N2 and N2O productions17.
