Rational design of fluorinated central cores via peripheral acceptor modification: a DFT/TD-DFT exploration for high-performance organic solar cells

Key Points

• Enhanced performance of organic solar cells with optimized fluorinated central cores is demonstrated.
• Computational methods like DFT and TD-DFT reveal structural impacts and efficiencies by varying peripheral acceptors.
• Exploration of different fluorinated core structures provides insights into energy transfer mechanisms within cells.
• Insights suggest that tailored modifications can significantly improve solar cell efficiency, warranting further investigation.