Rational molecular engineering of pyrene-based D-Aπ-A-D donor molecules for high-performance photovoltaics

Key Points

• This work aims to design and optimize D-A-π-A-D donor molecules to enhance photovoltaic efficiency.
• Designed six novel donor molecules with a D-A-π-A-D structure.
• Selected pyrene as the central donor unit for structural optimization.
• Conducted molecular-level engineering to evaluate performance based on design changes.
• Identified improved photovoltaic performance due to structural modifications.
• Demonstrated that rational design leads to higher energy conversion efficiency in solar cells.