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Combined experimental and first principles look into (Ce, Mo) doped BiVO4
Tasnim Ahmed Mahi1, Quazi Shafayat Hossain1, Sadiq Shahriyar Nishat2
1Materials Science Research Laboratory, Department of Electrical and Electronic Engineering, University of Dhaka, Dhaka-1000, Bangladesh.
Heliyon
|December 13, 2024
Summary
This study explored cerium (Ce) and molybdenum (Mo) doping in bismuth vanadate (BiVO4) nanoparticles. Co-doping enhanced photo-generated carrier recombination, potentially hindering photocatalytic efficiency for methylene blue degradation.
Area of Science:
- Materials Science
- Nanotechnology
- Photocatalysis
Background:
- Bismuth vanadate (BiVO4) is a promising photocatalyst.
- Doping strategies are employed to enhance photocatalytic performance.
- Understanding doping effects on BiVO4 is crucial for optimizing its application.
Purpose of the Study:
- Investigate the effects of cerium (Ce) and molybdenum (Mo) co-doping on hydrothermally synthesized BiVO4 nanoparticles.
- Corroborate the structural and chemical changes induced by co-doping.
- Analyze the impact of doping on photogenerated carrier dynamics and photocatalytic activity.
Main Methods:
- Hydrothermal synthesis of BiVO4 nanoparticles.
- Powdered X-ray diffraction (PXRD) with Rietveld refinement.
- Raman spectroscopy and Fourier-transform infrared (FTIR) spectroscopy.
- High-resolution transmission electron microscopy (HRTEM) and X-ray photoelectron spectroscopy (XPS).
- Photoluminescence (PL) spectroscopy and UV-vis diffuse reflectance spectroscopy.
- Density Functional Theory (DFT+U) simulations.
Main Results:
- Validated the presence of monoclinic scheelite and tetragonal zircon phases in BiVO4 nanoparticles.
- Confirmed Ce and Mo co-doping at Bi and V sites, respectively.
- Observed enhanced photo-generated carrier recombination in (Ce, Mo) co-doped BiVO4.
- DFT+U simulations indicated deep impurity states facilitating carrier recombination.
- UV-vis diffuse reflectance supported the presence of defect states.
Conclusions:
- Co-doping BiVO4 with Ce and Mo introduced deep impurity states.
- These impurity states enhanced photo-generated carrier recombination.
- The increased recombination potentially hampered the photocatalytic efficiency for methylene blue degradation.
- This study provides a comprehensive experimental and computational analysis of (Ce, Mo) doped BiVO4.
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