Enhancing the photoelectrochemical activity of monoclinic BiVO<sub>4</sub>by discretizing oxygen vacancies: insights from DFT calculations

Li, Shuyi; Yan, Xiaodan; He, Jinlu

doi:10.1039/d3cp02066e

Phys. Chem. Chem. Phys.

2023

DOI: 10.1039/d3cp02066e

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Enhancing the photoelectrochemical activity of monoclinic BiVO₄by discretizing oxygen vacancies: insights from DFT calculations

Shuyi Li

Xiaodan Yan

Jinlu He

Abstract: Monoclinic bismuth vanadate (BiVO4) has emerged as an excellent optically active photoanode material due to its unique physical and chemical properties. Experiments reported that low-concentration of oxygen vacancies enhance the...

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Boosted Charge Transport Efficiency for Bismuth and Oxygen Dual Vacancy-Engineered BiVO₄ Photoanodes

Huang,

Lin,

Lin

et al. 2024

ACS Appl. Energy Mater.

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Bismuth vanadate (BiVO 4 ) is a promising photoanode material that has been widely employed to address environmental pollution and the energy crisis. However, defect states substantially affect the efficiency of BiVO 4 photoanodes, and practical applications are severely limited because the fabrication of large-area photoanodes possessing excellent and uniform photoelectrochemical (PEC) activities remains challenging. Herein, bismuth and oxygen dual vacancy-engineered BiVO 4 photoanodes were fabricated by cosputtering BiVO 4 and V targets. The Bi/V atomic ratio of the BiVO 4 photoanode was tailored by tuning the sputtering power of the V target (P V ), thereby regulating both vacancy types in the BiVO 4 photoanode. The optimized BiVO 4 photoanode was fabricated at a P V of 300 W and featured the highest bismuth vacancy (Bi vac ) concentration (12%) and oxygen vacancy (O vac ) concentration. Under solar spectrum air mass 1.5 irradiation, the current density of the optimized BiVO 4 photoanode was 1.9 mA/cm 2 (at 1.6 V RHE (versus a reversible hydrogen electrode)), which was 11.9 times higher than that of the vacancy-free BiVO 4 photoanode (0.16 mA/cm 2 ). Meanwhile, the optimized dual vacancy-engineered BiVO 4 photoanode exhibited the highest tetracycline hydrochloride degradation efficiency (79%) within 12 min, which was 2.9 times higher than that of the vacancy-free BiVO 4 photoanode (27%). The promoted PEC activity is ascribed to the high carrier concentration and efficient Bi vac -and O vacderived charge transport. This work offers a strategy for fabricating highly efficient, large-area BiVO 4 photoanodes containing adjustable Bi vac and O vac concentrations.

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Boosted Charge Transport Efficiency for Bismuth and Oxygen Dual Vacancy-Engineered BiVO₄ Photoanodes

Huang,

Lin,

Lin

et al. 2024

ACS Appl. Energy Mater.

View full text Add to dashboard Cite

show abstract

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Enhancing the photoelectrochemical activity of monoclinic BiVO₄by discretizing oxygen vacancies: insights from DFT calculations

Abstract: Monoclinic bismuth vanadate (BiVO4) has emerged as an excellent optically active photoanode material due to its unique physical and chemical properties. Experiments reported that low-concentration of oxygen vacancies enhance the...

Cited by 1 publication

References 55 publications

Boosted Charge Transport Efficiency for Bismuth and Oxygen Dual Vacancy-Engineered BiVO₄ Photoanodes

Boosted Charge Transport Efficiency for Bismuth and Oxygen Dual Vacancy-Engineered BiVO₄ Photoanodes

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Enhancing the photoelectrochemical activity of monoclinic BiVO4by discretizing oxygen vacancies: insights from DFT calculations

Abstract: Monoclinic bismuth vanadate (BiVO4) has emerged as an excellent optically active photoanode material due to its unique physical and chemical properties. Experiments reported that low-concentration of oxygen vacancies enhance the...

Cited by 1 publication

References 55 publications

Boosted Charge Transport Efficiency for Bismuth and Oxygen Dual Vacancy-Engineered BiVO4 Photoanodes

Boosted Charge Transport Efficiency for Bismuth and Oxygen Dual Vacancy-Engineered BiVO4 Photoanodes

Contact Info

Product

Resources

About

Enhancing the photoelectrochemical activity of monoclinic BiVO₄by discretizing oxygen vacancies: insights from DFT calculations

Boosted Charge Transport Efficiency for Bismuth and Oxygen Dual Vacancy-Engineered BiVO₄ Photoanodes

Boosted Charge Transport Efficiency for Bismuth and Oxygen Dual Vacancy-Engineered BiVO₄ Photoanodes