First-principles study of ZnO/MoSeTe van der Waals heterostructures for photovoltaic and hydrogen evolution applications

Key Points

• The research aims to explore the properties of ZnO/MoSeTe heterostructures for energy applications.
• Utilized first-principles calculations to analyze material properties
• Focused on the interaction between zinc oxide and molybdenum diselenide-telluride
• Evaluated the suitability for photocatalytic and photovoltaic applications
• Identified optimal characteristics for energy conversion processes
• Demonstrated enhanced performance for hydrogen evolution
• Highlighted potential efficiency improvements in photovoltaic devices