Impact of oxygen vacancy occupancy on piezo-catalytic activity of BaTiO3 nanobelt

Impact of Oxygen Vacancy Occupancy on Piezo-catalytic Activity of BaTiO3 nanobelt: First-Principles Evidence and Experimental Verifications. [Display omitted] •The BaTiO3 nanobelt with controlled oxygen vacancy occupancy was synthesized by hydrothermal method and vacuum thermal treatment.•The piezoc...

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Published in:Applied catalysis. B, Environmental Environmental, 2020-12, Vol.279, p.119340, Article 119340
Main Authors: Wang, Penglei, Li, Xinyong, Fan, Shiying, Chen, Xin, Qin, Meichun, Long, Dan, Tadé, Moses O., Liu, Shaomin
Format: Article
Language:English
Subjects:
Barium titanates
Catalytic activity
Environmental degradation
First principles
Heat treatment
Mechanism
Occupancy
Oxygen
Oxygen Vacancy Occupancy
Performance degradation
Piezo-catalysis
Piezoelectric response
Pollutants
Vacancies
Vacuum
Volcanoes
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Summary:Impact of Oxygen Vacancy Occupancy on Piezo-catalytic Activity of BaTiO3 nanobelt: First-Principles Evidence and Experimental Verifications. [Display omitted] •The BaTiO3 nanobelt with controlled oxygen vacancy occupancy was synthesized by hydrothermal method and vacuum thermal treatment.•The piezocatalytic activity exhibited a volcano-type trend with increasing oxygen vacancies.•The intrinsic reason of volcano-type trend was well unveiled by theoretical calculations and experiment results.•This work represent an appealing strategy to improve pizeocatalytic activity environmental remediation. BaTiO3 nanobelt featuring controlled oxygen vacancies, namely BTO-OV-X (X represents time (h) of vacuum heat-treatment), were prepared to systematically investigate the effect of oxygen vacancies occupancy on pizeocatalytic performance for degradation of organic pollutant. Remarkably, the creation of oxygen vacancies on BaTiO3 can mediate the piezocatalytic activity. The piezocatalytic activity exhibited a volcano-type trend with increasing oxygen vacancies. Results from first-principles density functional theoretical (DFT) calculations and O2-temperature programmed desorption (O2-TPD) measurement indicated that the presence of oxygen vacancies could efficiently adsorb and activate O2 on the surface of BaTiO3 nanobelt and consequently enhance piezocatalytic activity. Importantly, with the aid of piezoresponse force microscopy (PFM) measurement, the intrinsic reason of volcano-type trend of oxygen vacancy-activity was well unveiled. This work reveals the effect and mechanism of oxygen vacancy occupancy on enhancing piezocatalytic activity of BaTiO3 nanobelt and will shed light on design of efficient piezocatalysts in the future.
ISSN:0926-3373
1873-3883
DOI:10.1016/j.apcatb.2020.119340