Atomic-level insights into surface engineering of semiconductors for photocatalytic CO2 reduction

Photocatalytic conversion of CO2 into solar fuels provides a bright route for the green and sustainable development of human society. However, the realization of efficient photocatalytic CO2 reduction reaction (CO2RR) is still challenging owing to the sluggish kinetics or unfavorable thermodynamics for basic chemical processes of CO2RR, such as adsorption, activation, conversion and product desorption. To overcome these shortcomings, recent works have demonstrated that surface engineering of semiconductors, such as introducing surface vacancy, surface doping, and cocatalyst loading, serves as effective or promising strategies for improved photocatalytic CO2RR with high activity and selectivity. The essential reason lies in the activation and reaction pathways can be optimized and regulated through the reconstruction of surface atomic and electronic structures. Herein, in this review, we focus on recent research advances about rational design of semiconductor surface for photocatalytic CO2RR. The surface engineering strategies for improved CO2 adsorption, activation, and product selectivity will be reviewed. In addition, theoretical calculations along with in situ characterization techniques will be in the spotlight to clarify the kinetics and thermodynamics of the reaction process. The aim of this review is to provide deep understanding and rational guidance on the design of semiconductors for photocatalytic CO2RR. (C) 2021 Science Press and Dalian Institute of Chemical Physics, Chinese Academy of Sciences. Published by ELSEVIER B.V. and Science Press. All rights reserved.

Automated summary

The photocatalytic conversion of CO2 into solar fuels is a promising approach for green and sustainable development, but challenges remain in achieving efficient CO2RR due to slow kinetics and unfavorable thermodynamics. Surface engineering strategies, such as introducing vacancies, dopants, and cocatalysts, can enhance the activity and selectivity of CO2RR by optimizing and regulating activation and reaction pathways through surface reconstruction. This review focuses on recent advances in the rational design of semiconductor surfaces for photocatalytic CO2RR, emphasizing improved CO2 adsorption, activation, and product selectivity through theoretical calculations and in situ characterization techniques. The goal is to provide a deep understanding and rational guidance for the design of semiconductors in photocatalytic CO2RR.