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Chemical Modification-Regulated Excited-State Dynamics and Charge Separation in TPA-C60 Donor-Acceptor Systems: A Nonadiabatic Molecular Dynamics Study

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Understanding and regulating photoinduced charge-transfer dynamics in donor-acceptor (D-A) systems are crucial for the development of high-performance organic solar cells (OSCs). In this work, the excited-state properties and nonadiabatic dynamics of four chem... ...