“…11,12,60,61 In Table S12, † some catalysts have realized ammonia production and achieved high Faraday efficiency (FE) for the conversion from N 2 to NH 3 in experiment, although the desorption step (NH 3 * to NH 3 ) required 0.94-1.73 eV energy inputs. [62][63][64][65][66] In metal-zeolites studied in this work, the NH 3 desorption step free energies were 2.12, 1.65, and 1.46 eV for Ti-, Co-, and Nb-zeolites, respectively. The accumulated energy in previous steps may be attributed to the good catalytic performance.…”