Double sulfur vacancies by lithium tuning enhance CO₂ electroreduction to n-propanol.

ABSTRACT: Electrochemical CO₂ reduction can produce valuable products with high energy densities but the process is plagued by poor selectivities and low yields. Propanol represents a challenging product to obtain due to the complicated C₃ forming mechanism that requires both stabilization of *C₂ intermediates and subsequent C₁-C₂ coupling. Herein, density function theory calculations revealed that double sulfur vacancies formed on hexagonal copper sulfide can feature as efficient electrocatalytic centers for stabilizing both CO* and OCCO* dimer, and further CO-OCCO coupling to form C₃ species, which cannot be realized on CuS with single or no sulfur vacancies. The double sulfur vacancies were then experimentally synthesized by an ele

SUBMITTER: Peng C 

PROVIDER: S-EPMC7952561 | biostudies-literature | 2021 Mar

REPOSITORIES: biostudies-literature