Journal
JOURNAL OF CATALYSIS
Volume 390, Issue -, Pages 126-134Publisher
ACADEMIC PRESS INC ELSEVIER SCIENCE
DOI: 10.1016/j.jcat.2020.07.021
Keywords
Carbon dioxide reduction; Density functional theory calculation; Energy conversion; Bimetallic-atoms electrocatalysts; Design principles
Categories
Funding
- National Key Research and Development Program of China [2017YFA0206500]
- National Natural Science Foundation of China [51732002, 51973174]
- Distinguished Scientist Program at BUCT [buctylkxj02]
- Fundamental Research Funds for the Central Universities [buctrc-202008, 3102019ZD0402]
- China Scholarships Council [201806880044]
- US National Science Foundation [1561886, 1662288]
Ask authors/readers for more resources
The development of catalysts with high activity and selectivity for electrochemical reduction of CO2 could provide renewable energy sources and improved environmental remediation. However, most current electrocatalysts have large energy barriers that lower their activity and selectivity. Here, we designed a class of electrocatalysts with 3d transition bimetallic active sites embedded into covalent organic frameworks (COFs) and discovered that they were more efficient than noble metals and single-atom electrocatalysts in CO2 reduction reaction to CO. To facilitate rational design and quick screening of desired catalysts, an intrinsic descriptor was identified for the catalysts, which correlates the catalytic activity with the topological, bonding, and electronic structures. Among the catalysts, Fe/Cu-, Ni/Zn-COFs could be excellent electrocatalysts, with the low overpotential (similar to 0.25 V) while suppressing side reactions. The excellent activity and selectivity of the catalysts stems from their unique bimetallic sites that break the constraint of scaling relations, leading to much more adsorption modes and facilitating intermediates to achieve the ideal states. (c) 2020 Elsevier Inc. All rights reserved.
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