Sulfur-induced electron redistribution of single molybdenum atoms promotes nitrogen electroreduction to ammonia

Local structural environment of single-atom catalysts

“…[175][176][177][178][179][180][181][182][183] This has prompted intense efforts toward the precise design of tailored structures by engineering the coordination environment with coordination atoms, from the first coordination shell to the second shell or higher for SACs. [184][185][186][187][188][189][190][191][192][193] The first coordination shell refers to those atoms directly bonded to the central MSAs, while the second coordination shell refers to atoms bonded to the firstshell atoms but not to the central MSAs. The engineering of the first or higher coordination shells by precisely tailoring the heterogeneity of coordination atoms offers a great opportunity to tune the properties of SACs.…”

The journey of iron-based electrocatalytic materials for nitrogen reduction reaction: from current status to future prospects

“…Up to now, single-atom catalysts (SACs), for which isolated atoms are anchored on various substrates to generate stable conguration, have been extensively investigated for nitrogen reduction reactions. 34,[201][202][203][204] Compared with traditional catalyst materials, decreasing metal nanoparticles into single atoms can signicantly improve the catalytic activity and selectivity towards NRR. 205 The SACs may maximize atom utilization and effectively reduce economic costs in large-scale industrial production.…”

Electrochemical nitrogen fixation on single metal atom catalysts

“…In 0.1 M HCl, Mo/SCMF shows an AY of 46.6 67 μg h −1 mg cat −1 with an FE of 28.9% at −0.2 V vs. RHE. 73 Theoretical studies show that Mo atoms dispersed on sulphur doped graphene have a limited potential of −0.2 V. In general, the transition metal (Nb, Mo, Mn, Sc, Ti, Cr, W, V, Re) coordinated with sulphur shows enhanced eNRR activity compared to its nitrogen coordinated counter parts. 74 Atomically dispersed zero-valent molybdenum on graphdiyne (Mo 0 /GDY) has also been tried for eNRR.…”