In this study, phenyl boronic acid (PBA) self-assembled monolayers (SAMs) with different terminal groups were introduced on c-TiO₂, as interfacial modification layer in organic solar cells (OSCs) with inverted structure. The morphological, optical, electrical properties and the surface wettability of c-TiO₂ layer were successfully tuned by SAMs modification. The all five SAMs introduced to device configuration improved the photovoltaic performances. The NO₂-PBA SAM modified device exhibited a power conversion efficiency (PCE) of 3.4 % with a short‐circuit current density of 9.68 mA cm⁻², an open‐circuit voltage of 0.59 V and fill factor of 48.46 %. More than 50 % enhancement on the PCE was achieved thanks to better ohmic contact and energy level alignment at the interface resulting improved charge collection. The surface properties can be changed by varying the terminal group of molecules, which can control the charge transport properties leading high shunt resistance and low series resistance. Our results showed that the PBA SAMs can be used as efficient interfacial modification layer for inverted OSCs.

在这项研究中，在c-TiO ₂上引入了具有不同端基的苯基硼酸（PBA）自组装单层（SAMs），作为具有倒置结构的有机太阳能电池（OSCs）中的界面改性层。通过SAMs改性成功地调节了c-TiO ₂层的形态、光学、电学性质和表面润湿性。引入器件配置的所有五种 SAM 都提高了光伏性能。NO ₂ -PBA SAM 改性器件的功率转换效率 (PCE) 为 3.4 %，短路电流密度为 9.68 mA cm ^-2，开路电压为 0.59 V，填充因子为 48.46 %。由于更好的欧姆接触和界面处的能级对齐，从而改善了电荷收集，PCE 的性能提高了 50% 以上。通过改变分子的端基可以改变表面特性，从而控制电荷传输特性，导致高分流电阻和低串联电阻。我们的结果表明，PBA SAM 可用作倒置 OSC 的有效界面改性层。