Related Experiment Video
Updated: Aug 9, 2025

Synthesis and Performance Characterizations of Transition Metal Single Atom Catalyst for Electrochemical CO2 Reduction
Published on: April 10, 2018
Recent progress of theoretical studies on electro- and photo-chemical conversion of CO2 with single-atom catalysts
Liyun Jiang1, Qingqing Yang1, Zhaoming Xia2
1School of Physics and Telecommunication Engineering, School of Materials Science and Engineering, Shaanxi Laboratory of Catalysis, Shaanxi University of Technology Hanzhong 723001 China qiyu@snut.edu.cn.
Abstract:
The CO2 reduction reaction (CO2RR) into chemical products is a promising and efficient way to combat the global warming issue and greenhouse effect. The viability of the CO2RR critically rests with finding highly active and selective catalysts that can accomplish the desired chemical transformation. Single-atom catalysts (SACs) are ideal in fulfilling this goal due to the well-defined active sites and support-tunable electronic structure, and exhibit enhanced activity and high selectivity for the CO2RR. In this review, we present the recent progress of quantum-theoretical studies on electro- and photo-chemical conversion of CO2 with SACs and frameworks. Various calculated products of CO2RR with SACs have been discussed, including CO, acids, alcohols, hydrocarbons and other organics. Meanwhile, the critical challenges and the pathway towards improving the efficiency of the CO2RR have also been discussed.
Related Concept Videos
Thermal and Photochemical Electrocyclic Reactions: Overview
Photochemical Electrocyclic Reactions: Stereochemistry
Selection Rules: Photochemical Activation
Cycloaddition Reactions: MO Requirements for Photochemical Activation
Catalysis
Interfacial Electrochemical Methods: Overview
The Photochemical Reaction Center

