Design of doped cesium lead halide perovskite as a photo-catalytic CO2 reduction catalyst

Searching for better catalysts with high selectivity for the CO2 reduction reaction is an essential approach to reduce the global warming effect. Herein, through density functional theory calculations, we explore the catalytic capability of pristine CsPbBr3 perovskite and doped CsPbBr3 perovskite, w...

Full description

Saved in:
Bibliographic Details
Published inJournal of materials chemistry. A, Materials for energy and sustainability Vol. 7; no. 12; pp. 6911 - 6919
Main Authors Tang, Chao, Chen, Chongyang, Xu, Weiwei, Lai, Xu
Format Journal Article
LanguageEnglish
Published Cambridge Royal Society of Chemistry 2019
Subjects
Absorption spectra
Carbon dioxide
Catalysis
Catalysts
Cesium
Charge efficiency
Chemical reduction
Climate change
Density functional theory
Electron transfer
Global warming
Lead
Methane
Perovskites
Selectivity
Online AccessGet full text

Cover

More Information
Summary:Searching for better catalysts with high selectivity for the CO2 reduction reaction is an essential approach to reduce the global warming effect. Herein, through density functional theory calculations, we explore the catalytic capability of pristine CsPbBr3 perovskite and doped CsPbBr3 perovskite, which transform CO2 into methane. Various approaches demonstrate that doped CsPbBr3 shows a better catalytic performance than pristine CsPbBr3. The selectivity analysis indicates that methane is formed with high selectivity. The smaller band gap of Co- and Fe-doped CsPbBr3 expands the absorption spectrum of visible light and facilitates electron transfer, which boosts the photo-catalytic efficiency. A charge accommodation mechanism is proposed to describe the CO2 reduction process on the perovskite surface.
ISSN:2050-7488
2050-7496
DOI:10.1039/c9ta00550a