Abstract We present the synthesis and application of new class of self-assembled monolayer molecules (SAMs) for acquiring feasible interfacial engineering in inverted type perovskite solar cells (PSCs). The proposed SAMs bearing different electron donating terminal groups have been utilized to tune the work function of indium tin oxide (ITO) electrodes. Fine-tuning of terminal groups of the SAMs allows us to compare relationship between molecular structures and device parameters. Moreover, ionic and hybrid nature of perovskite enables forming various chemical interactions with terminal groups of SAMs. Employed SAMs has resulted in permanent increase in work function of ITO, increase power conversion efficiency (PCE) of the cells and passivation of trap states at the interface between electrode and perovskite layer. The present study provides new insights into correlation between molecular engineering and solar cell performance through treating holistic comparison of synthesized molecules at the interface of ITO and perovskite layer.

中文翻译：

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自组装单层端基变化对界面调节平面钙钛矿太阳能电池性能的影响

摘要 我们介绍了新型自组装单层分子 (SAM) 的合成和应用，用于在倒置型钙钛矿太阳能电池 (PSC) 中获得可行的界面工程。所提出的带有不同给电子端基的 SAM 已被用于调节氧化铟锡 (ITO) 电极的功函数。SAM 端基的微调使我们能够比较分子结构和器件参数之间的关系。此外，钙钛矿的离子和杂化性质能够与 SAM 的末端基团形成各种化学相互作用。使用的 SAM 导致 ITO 功函数的永久增加、电池的功率转换效率 (PCE) 和电极和钙钛矿层之间界面处陷阱态的钝化。