Loading…

Ferroelectric Polarization and Single-Atom Catalyst Synergistically Promoting CO2 Photoreduction of CuBiP2Se6

Further improving the activity and selectivity of photocatalytic CO2 reduction remains a challenge. Herein, we propose a new strategy for synergistically promoting photocatalytic CO2 reduction by combining two-dimensional (2D) ferroelectric polarization and single-atom catalysis. Our calculations sh...

Full description

Saved in:
Bibliographic Details
Published in:The journal of physical chemistry letters 2024-04, Vol.15 (13), p.3611-3618
Main Authors: Jiang, Xingxing, Tan, Jieyao, Liu, Dongyu, Feng, Yexin, Chen, Ke-Qiu, Kazakova, Elena A., Vasenko, Andrey S., Chulkov, Evgueni V.
Format: Article
Language:English
Subjects:
Online Access:Get full text
Tags: Add Tag
No Tags, Be the first to tag this record!
Description
Summary:Further improving the activity and selectivity of photocatalytic CO2 reduction remains a challenge. Herein, we propose a new strategy for synergistically promoting photocatalytic CO2 reduction by combining two-dimensional (2D) ferroelectric polarization and single-atom catalysis. Our calculations showed that the ferroelectric polarization of CuBiP2Se6 provides the internal driving force for the separation and migration of photogenerated carriers, which provides a prerequisite for enhancing the photocatalytic efficiency. In addition, the introduction of single Ag atoms can act as an electron reservoir to significantly modify the bonding configurations on the surface through proper static electron transfer, thus effectively promoting the adsorption and activation of CO2 molecules. More importantly, we found that switching the ferroelectric polarization can synergistically optimize the limiting potential as well as control the final products. This study provides a new approach for enhancing the catalytic activity and selectivity of photocatalytic CO2 reduction.
ISSN:1948-7185
1948-7185
DOI:10.1021/acs.jpclett.4c00687