Recent progress of theoretical studies on electro- and photo-chemical conversion of CO2 with single-atom catalysts

Jiang, Liyun1; Yang, Qingqing1; Xia, Zhaoming2,3; Yu, Xiaohu1; Zhao, Mengdie1; Shi, Qiping1; Yu, Qi1,4

2023-02-14

10.1039/d2ra08021d

RSC ADVANCES   影响因子和分区

2046-2069

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.

SCI ; EI

英语

通讯

National Natural Science Foundation of China[92061109] ; Natural Science Basic Research Program of Shaanxi["2021JCW-20","2022KJXX-18"] ; Open Project Program of Fujian Key Laboratory of Functional Marine Sensing Materials[MJUKF-FMSM202002] ; Guangdong Provincial Key Laboratory of Catalysis[2020B121201002]

Chemistry

Chemistry, Multidisciplinary

WOS:000931212800001

ROYAL SOC CHEMISTRY

20231013663263

Carbon dioxide ; Catalyst activity ; Catalyst selectivity ; Electronic structure ; Global warming

Atmospheric Properties:443.1 ; Air Pollution:451 ; Chemical Agents and Basic Industrial Chemicals:803 ; Chemical Products Generally:804 ; Inorganic Compounds:804.2

Web of Science

1.Shaanxi Univ Technol, Sch Phys & Telecommun Engn, Sch Mat Sci & Engn, Shaanxi Lab Catalysis, Hanzhong 723001, Peoples R China
2.Tsinghua Univ, Dept Chem, Minist Educ, Beijing, Peoples R China
3.Tsinghua Univ, Minist Educ, Key Lab Organ Optoelect & Mol Engn, Beijing, Peoples R China
4.Southern Univ Sci & Technol, Guangdong Prov Key Lab Catalysis, Shenzhen 518055, Peoples R China

Jiang, Liyun,Yang, Qingqing,Xia, Zhaoming,et al. Recent progress of theoretical studies on electro- and photo-chemical conversion of CO2 with single-atom catalysts[J]. RSC ADVANCES,2023,13(9):5833-5850.

Jiang, Liyun.,Yang, Qingqing.,Xia, Zhaoming.,Yu, Xiaohu.,Zhao, Mengdie.,...&Yu, Qi.(2023).Recent progress of theoretical studies on electro- and photo-chemical conversion of CO2 with single-atom catalysts.RSC ADVANCES,13(9),5833-5850.

Jiang, Liyun,et al."Recent progress of theoretical studies on electro- and photo-chemical conversion of CO2 with single-atom catalysts".RSC ADVANCES 13.9(2023):5833-5850.