Terminal group engineering of dipyran-based non-fullerene acceptors: a computational approach for high performance organic solar cells

Key Points

• Evaluate terminal group engineering of dipyran-based non-fullerene acceptors for performance enhancement.
• Computational modeling of dipyran-based non-fullerene acceptors.
• Analysis of charge transfer efficiency and bandgap reduction.
• Optimization of performance metrics for organic solar cells.
• Improved charge transfer leading to higher efficiency.
• Significant reduction in bandgaps.
• Enhanced overall performance of organic solar cells.