N,S coordination in Ni single-atom catalyst promoting CO₂RR towards HCOOH

Abstract

S substitution in NiN4 effectively improves its ECO2RR activity to give HCOOH, with the limiting potential changing from −1.25 to −0.64 V.

Stabilizing the Coordination Environment of Single-Atom Nickel Using Unexposed Nickel Nanoparticles for Enhanced Electrochemical Reduction of CO2

“…5,6 Additionally, it is difficult to protonate and break bonds in CO 2 molecules in the reduction reaction because of their strong thermodynamic stability. 7 Therefore, Ni-doped single atom catalysts (Ni SACs) with high selectivity for CO 2 RR have been discovered since 2016 and widely employed due to their high resistance to HER, economic viability, and adequate electrochemical characteristics. 8−12 Although Ni SACs have achieved significant accomplishments, some general questions still need to be addressed.…”

“…Electrochemical CO 2 reduction reaction (CO 2 RR) powered by renewable energy sources is an economically feasible method for converting CO 2 into industrially valuable chemicals. , This can help alleviate global warming and the deterioration of the ecological environment. CO serves as a reasonable gas-phase product to facilitate separation after CO 2 RR and is a primary industrial material to synthesize various ideal commodity chemicals and fuels. , However, during the electrochemical process in aqueous electrolytes, the hydrogen evolution reaction (HER) inevitably occurs as a main competitive reaction, which affects the Faradaic efficiency (FE) of CO 2 RR. , Additionally, it is difficult to protonate and break bonds in CO 2 molecules in the reduction reaction because of their strong thermodynamic stability . Therefore, Ni-doped single atom catalysts (Ni SACs) with high selectivity for CO 2 RR have been discovered since 2016 and widely employed due to their high resistance to HER, economic viability, and adequate electrochemical characteristics. − Although Ni SACs have achieved significant accomplishments, some general questions still need to be addressed. , These questions include the problem of lower dispersion of single atoms, small contact areas, relatively weak interactions between a single atom and a support material, and how to improve the intrinsic activity.…”

Theoretical Insights into the Selectivity of Nitrite Reduction to NH2OH on Single-Atom Catalysts

“…Single-atom catalysts (SACs) with maximized atom efficiency and high selectivity have recently attracted extensive attention in the field of electrocatalysis . Transition-metal-centered SACs have been used in the electrosynthesis of formic acid, ammonia, and hydrogen peroxide . The relationship between the active sites and performance of SACs is worth studying .…”