Highly Selective Electrocatalytic CO 2 Conversion to Tailored Products through Precise Regulation of Hydrogenation and C–C Coupling
Wuhan National Laboratory for Optoelectronics · Huazhong University of Science and Technology · +8 more institutions
Abstract
The electrochemical reduction reaction of carbon dioxide (CO2RR) into valuable products offers notable economic benefits and contributes to environmental sustainability. However, precisely controlling the reaction pathways and selectively converting key intermediates pose considerable challenges. In this study, our theoretical calculations reveal that the active sites with different states of copper atoms (1–3–5–7–9) play a pivotal role in the adsorption behavior of the *CHO critical intermediate. This behavior dictates the subsequent hydrogenation and coupling steps, ultimately influencing the formation of the desired products. Consequently, we designed two model electrocatalysts comprising Cu single atoms…
Citation impact
- FWCI
- 10.57
- Percentile
- 100%
- References
- 34
Authors
15- CXChenfeng Xia
Wuhan National Laboratory for Optoelectronics, Huazhong University of Science and Technology
- XWXiu Wang
University of Auckland
- CHChaohui He
Wuhan National Laboratory for Optoelectronics, Huazhong University of Science and Technology
- RQRuijuan Qi
East China Normal University
- DZDeyu Zhu
Wuhan National Laboratory for Optoelectronics, Huazhong University of Science and Technology
Topics & keywords
- Chemistry
- Electrochemistry
- Coupling (piping)
- Carbon dioxide
- Electrochemical reduction of carbon dioxide
- Reduction (mathematics)
- Electrocatalyst
- Inorganic chemistry