Journal
RSC ADVANCES
Volume 9, Issue 47, Pages 27710-27719Publisher
ROYAL SOC CHEMISTRY
DOI: 10.1039/c9ra04135d
Keywords
-
Categories
Funding
- National Natural Science Foundation of China [21673087, 21873032]
- Huazhong University of Science and Technology [2006013118, 3004013105]
- Fundamental Research Funds for the Central Universities [2019kfyRCPY116]
Ask authors/readers for more resources
Electrochemical reduction of CO2 to value-added chemicals and fuels shows great promise in contributing to reducing the energy crisis and environment problems. This progress has been slowed by a lack of stable, efficient and selective catalysts. In this paper, density functional theory (DFT) was used to study the catalytic performance of the first transition metal series anchored TM-B-beta 12 monolayers as catalysts for electrochemical reduction of CO2. The results show that the TM-B-beta 12 monolayer structure has excellent catalytic stability and electrocatalytic selectivity. The primary reduction product of Sc-B-beta 12 is CO and the overpotential is 0.45 V. The primary reduction product of the remaining metals (Ti-Zn) is CH4, where Fe-B-beta 12 has the minimum overpotential of 0.45 V. Therefore, these new catalytic materials are exciting. Furthermore, the underlying reaction mechanisms of CO2 reduction via the TM-B-beta 12 monolayers have been revealed. This work will shed insights on both experimental and theoretical studies of electroreduction of CO2.
Authors
I am an author on this paper
Click your name to claim this paper and add it to your profile.
Reviews
Recommended
No Data Available