fig2
From: Single and dual atom catalysts for nitrate reduction from metal tuning to performance descriptors
Figure 2. (A) Optimized geometries of the NRA intermediates for each step of the Fe SAC. License under a Creative Commons CC BY 4.0, from Ref.[40]; (B) Optimized geometries of the NRA intermediates for each step of the Cu-Cu DAC (purple: Cu, Blue: nitrogen, Red: Oxygen, light pink: hydrogen). Reproduced with permission from Ref.[46], Copyright 2024 RSC; (C) Optimized geometries of the NRA intermediates for each elementary step of the Fe-Cu DAC (Green: Fe, Pink: Cu, Blue: nitrogen, Red: Oxygen, white: hydrogen). License under a Creative Commons CC BY 4.0, from Ref.[51]. NRA: Nitrate reduction to ammonia; SAC: single-atom catalyst; DAC: dual-atom catalyst.
