Metal-oxide-based charge-transport layers have played a pivotal role in the progress of perovskite solar cells. Yet metal-oxide/perovskite interfaces are often highly defective, owing to both metal-oxide and perovskite surface defects. This results in non-radiative recombination and impedes charge transfer. Moreover, during operation, such interfaces may suffer from undesirable chemical reactions and mechanical delamination issues. Solving this multifaceted challenge requires a holistic approach to concurrently address the interfacial defect, charge-transfer, chemical stability and delamination issues, to bring perovskite solar cell technology closer to commercialization. With this motivation, we review and discuss the issues associated with the metal-oxide/perovskite interface in detail. With this knowledge at hand, we then suggest solutions based on molecular engineering for many, if not all, challenges that encumber the metal-oxide/perovskite interface. Specifically, in light of the semiconducting and ultrafast charge-transfer properties of dyes and the recent success of self-assembled monolayers as charge-selective contacts, we discuss how such molecules can potentially be a promising solution for all metal-oxide/perovskite interface issues.

基于金属氧化物的电荷传输层在钙钛矿太阳能电池的发展中发挥了关键作用。然而，由于金属氧化物和钙钛矿表面缺陷，金属氧化物/钙钛矿界面通常存在高度缺陷。这导致非辐射复合并阻碍电荷转移。此外，在操作过程中，此类界面可能会遭受不希望的化学反应和机械分层问题。解决这一多方面的挑战需要一种整体方法来同时解决界面缺陷、电荷转移、化学稳定性和分层问题，以使钙钛矿太阳能电池技术更接近商业化。带着这个动机，我们详细回顾和讨论了与金属-氧化物/钙钛矿界面相关的问题。有了这些知识，然后，我们针对阻碍金属-氧化物/钙钛矿界面的许多（如果不是全部）挑战提出了基于分子工程的解决方案。具体来说，鉴于染料的半导体和超快电荷转移特性以及最近作为电荷选择性接触的自组装单分子层的成功，我们讨论了这些分子如何潜在地成为解决所有金属氧化物/钙钛矿界面问题的有希望的解决方案.