研究目的
Investigating the multiple charge-transfer mechanisms at the P3HT/non-fullerenes interface in organic solar cells to understand the superior performance of P3HT/non-fullerene systems.
研究成果
The study found that P3HT/non-fullerene systems adopt more charge-transfer pathways, including processes promoted by intermolecular electric field (IEF), hot CT states, and direct excitation. The hybrid Frenkel-CT states, relevant to the IEF formed by ESP differences between donor and acceptor, were identified as beneficial for charge separation. The larger CT rates in P3HT/non-fullerene systems were attributed to larger electronic couplings and beneficial absolute values of the sum of ΔG and λ. These findings suggest that P3HT/non-fullerene interfaces have superior properties for organic solar cells.
研究不足
The interface model was constructed on the molecular level, which is simple and limited by the current computational level. The power conversion efficiency (PCE) of the OSC device could be affected by various factors, making the model far more complicated than the actual scenario.
