Electrocatalytic CO2 Reduction to Alcohols with High Selectivity over Two-Dimensional Fe2P2S6 Nanosheet

Electrochemical conversion of CO2 into alcohols provides an attractive path toward achieving a carbon-neutral cycle, while its efficiency is challenged by identifying active electrocatalysts for the CO2 reduction reaction (CO2RR). In this work, we report the Fe2P2S6 nanosheet acts as an efficient CO2RR electrocatalytst toward highly selective hydrogenation of CO2 to alcohols. This catalyst is capable of achieving a high total Faradaic efficiency (FEmethanol+ethanol) of 88.3%, with a FEmethanol up to 65.2% at −0.20 V vs the reversible hydrogen electrode in 0.5 M KHCO3 solution, much higher than most reported CO2RR electrocatalysts. Density functional theory calculations indicate that Fe atom on the Fe2P2S6 surface can be regared as the active site for alcohol formation.