Citation: Qin Liu, Weina Zhao, Zhimin Ao, Taicheng An. Photo-piezoelectric synergistic degradation of typical volatile organic compounds on BaTiO₃[J]. Chinese Chemical Letters, ;2022, 33(1): 410-414. doi: 10.1016/j.cclet.2021.06.059 shu

Photo-piezoelectric synergistic degradation of typical volatile organic compounds on BaTiO₃

Guangzhou Key Laboratory of Environmental Catalysis and Pollution Control, Guangdong Key Laboratory of Environmental Catalysis and Health Risk Control, School of Environmental Science and Engineering, Institute of Environmental Health and Pollution Control, Guangdong University of Technology, Guangzhou 510006, China

zhimin.ao@gdut.edu.cn

Received Date: 23 March 2021
Revised Date: 16 April 2021
Accepted Date: 23 June 2021
Available Online: 30 June 2021

Figures(4)

Explore the photo-piezoelectric synergistic micro-mechanism by density functional theory (DFT) calculations at the electronic and atomic level is important. In this work, to understand the synergistic mechanism, atomic and electronic properties of typical piezoelectric and photocatalytic material BaTiO₃ were initially investigated with different strains. Subsequently, the adsorption of volatile organic compounds (VOCs) on the BaTiO₃ (001) surface was determined during the piezoelectric process. In addition, the relationship between deformation ratio, the electronic structure and adsorption energy was understood in the deformation ratio range of 7%-12% for the optimal catalytic effect. The results of charge density differences and Born effective charge reveal the synergistic mechanism of piezoelectric photocatalysis. The built-in electric field formed by polarization results in the enhanced separation of charges, which makes the surface charges aggregation, enhancing the adsorption of VOCs, and benefiting the subsequent photocatalytic degradation. This work can provide significant theoretical guidance for the piezoelectric photocatalytic degradation of pollutants with the optimal strain range.
- Photocatalysis,
- Photo-piezoelectric synergistic,
- Polarization,
- Charge separation,
- BaTiO₃,
- Volatile organic compounds (VOCs)
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Photo-piezoelectric synergistic degradation of typical volatile organic compounds on BaTiO3

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通讯作者: 陈斌, bchen63@163.com

Photo-piezoelectric synergistic degradation of typical volatile organic compounds on BaTiO₃