Improved photocatalytic carbon dioxide reduction over Bi-doped CeO2 by strain engineering

Ang Tian; Ziyu Mei; Luyuan Wang; Guangliang Liu; Zhiguo Liu; Guangming Kong; Wenjun Tang; Chuangwei Liu

doi:10.1039/D3SE01680C

Improved photocatalytic carbon dioxide reduction over Bi-doped CeO₂ by strain engineering†

Ang Tian,^a Ziyu Mei,^b Luyuan Wang,^b Guangliang Liu,^c Zhiguo Liu,^d Guangming Kong,^d Wenjun Tang*^e and Chuangwei Liu

*^b

Author affiliations

* Corresponding authors

^a Liaoning Provincial Key Laboratory of Metallurgical Resources Circulation Science, Northeastern University, Shenyang, P. R. China

^b State Key Laboratory of Catalysis, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian 116023, China
E-mail: cwliu@dicp.ac.cn

^c Sichuan Anxinda Rare Earth Technology Co. Ltd, Ya'an, P. R. China

^d Naval Aviation University Qingdao Campus, Qingdao, Shandong 266041, China

^e School of Materials and Energy, University of Electronic Science and Technology of China, Chengdu 610054, P. R. China
E-mail: wenjuntang9711@gmail.com

Abstract

Room-temperature photocatalytic carbon dioxide reduction reaction (CRR) is an essential method for reducing carbon footprint and achieving valuable fuels. The key challenge to accelerating the process is enhancing the catalytic rate and product selectivity. Herein, we investigate the conversion of carbon dioxide to formic acid on Bi-doped CeO₂ in the presence of tensile and compressive strain by using density functional theory corrected for on-site coulombic interactions. As demonstrated, the dopant atom not only benefits the oxygen vacancy formed, but also transfers some electrons to the Ti³⁺ site, which is the main catalytic site for the CRR. The promising model has excellent product selectivity, offering the best catalytic performance for formic acid (ΔG_max = 0.64 eV). Moreover, the catalytic performance is further improved by the compressive strain. The work provides novel insights into designing environment-friendly and low-cost CeO₂-based photocatalysts for carbon reduction.

This article is part of the themed collections: Recent Open Access Articles and Solar Fuels and Chemicals: Photocatalytic Water Splitting and CO2 Reduction

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Article information

DOI: https://doi.org/10.1039/D3SE01680C
Article type: Communication
Submitted: 21 Dec 2023
Accepted: 24 Feb 2024
First published: 27 Feb 2024
This article is Open Access

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Sustainable Energy Fuels, 2024,8, 1405-1411

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Improved photocatalytic carbon dioxide reduction over Bi-doped CeO₂ by strain engineering

A. Tian, Z. Mei, L. Wang, G. Liu, Z. Liu, G. Kong, W. Tang and C. Liu, Sustainable Energy Fuels, 2024, 8, 1405 DOI: 10.1039/D3SE01680C

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