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Updated: Aug 16, 2025
Probe Type II Band Alignment in One-Dimensional Van Der Waals Heterostructures Using First-Principles Calculations
Published on: October 12, 2019
Engineering interfacial band bending over bismuth vanadate/carbon nitride by work function regulation for efficient
Shangcong Sun1, Ruijie Gao1, Xianlong Liu1
1Key Laboratory for Green Chemical Technology of the Ministry of Education, School of Chemical Engineering and Technology, Tianjin University, Tianjin 300072, China; Collaborative Innovative Center of Chemical Science and Engineering (Tianjin), Tianjin 300072, China.
Engineered BiVO4/polymeric carbon nitride (PCN) heterojunctions exhibit a direct Z-scheme pathway for efficient solar water splitting. This work clarifies interfacial charge transfer mechanisms for advanced photocatalyst design.
Area of Science:
- Materials Science
- Photocatalysis
- Renewable Energy
Background:
- Artificial Z-scheme photocatalysts are promising for solar water splitting.
- Understanding interfacial charge transfer is crucial for rational design.
Purpose of the Study:
- To engineer interfacial band bending via work function regulation for directional charge transfer.
- To realize a direct Z-scheme pathway in BiVO4/polymeric carbon nitride (PCN) heterojunctions.
Main Methods:
- Regulating oxygen vacancy concentration in BiVO4 by controlling crystallization rate to modify work function.
- Utilizing synchronous illuminated X-ray photoelectron spectroscopy (XPS) and femtosecond transient absorption spectroscopy to probe charge transfer pathways.
Main Results:
- The work function of BiVO4 was tuned to be larger than that of PCN.
- The charge transfer pathway switched from type-II to direct Z-scheme.
- BiVO4/PCN heterojunctions demonstrated superior photocatalytic performance in water splitting.
Conclusions:
- Work function regulation is an effective strategy for engineering interfacial band bending and achieving direct Z-scheme photocatalysts.
- This study provides insights into constructing heterojunction photocatalysts for enhanced solar energy utilization.
