Bandgap engineering and edge-state delocalization in Si-substituted zigzag graphene nanoribbons for multilayer p–n junction solar cells: a theoretical investigation

Key Points

• This research aims to explore the effects of bandgap engineering and edge-state delocalization on zigzag graphene nanoribbon solar cells.
• Theoretical modeling of zigzag graphene nanoribbons (ZGNR) for p-n junction structures.
• Analysis of edge-state delocalization effects on photocurrent generation.
• Investigation of various substitution levels of silicon (Si) in ZGNR.
• Identified optimal bandgap configurations for enhanced photocurrent.
• Demonstrated significant influence of edge-state delocalization on device efficiency.