MELISA: Molecular Engineering of Contact Interfaces for Long-Term Stable Perovskite Photovoltaics

钙钛矿型太阳能电池(PSCs)是新一代光伏发电技术，具有高性能、低成本的特点。然而，目前的钙钛矿/电荷传输层(CTL)触头缺乏所需的长期结构和性能稳定性，这阻碍了钙钛矿型PVs的市场进入。钙钛矿/接触界面的不稳定性是一个多方面的挑战，需要从整体上解决界面缺陷、电荷转移、化学稳定性和分层问题。为了克服这一挑战，设计新型的电荷选择性分子势在必行，它可以同时钝化钙钛矿/接触界面缺陷，促进电荷传输，形成稳定的势垒层，并保持接触堆栈的完整性。因此，本方案旨在合成一类新的电荷选择分子，并将其用于设计高度稳定的钙钛矿/CTL接触，从而能够制造出高效和长期稳定的PSC。与现有的CTL不同，新开发的电荷选择分子将是钙钛矿特有的，并包含功能连接单元，旨在同时解决所有钙钛矿/接触界面问题。与现有的文献研究不同，该项目将遵循一套完整的有机光伏稳定性国际峰会协议，以揭示钙钛矿/接触界面的真正可靠性。该项目的整体方法，再加上广泛的特点，将产生新的知识，以解决私营军保公司的长期稳定问题，从而使这项前景看好的技术能够商业化。总体而言，将开发的先进设备概念可能为2030年后的下一代PV技术铺平道路。

Perovskite solar cells (PSCs) have emerged as the next-generation photovoltaic (PV) technology that offers high performance and lowprojected manufacturing costs. However, the current perovskite/charge-transport-layer (CTL) contacts lack the required long-termstructural and performance stability, which hinders the market entry of perovskite-based PVs. The instability of perovskite/contactinterfaces is a multifaceted challenge that requires a holistic solution to the interfacial defect, charge transfer, chemical stability, anddelamination problems. To overcome this challenge, it is imperative to design novel charge-selective molecules that cansimultaneously passivate perovskite/contact interface defects, facilitate charge transport, form a stable barrier layer, and preserve theintegrity of the contact stack. Therefore, this proposal aims to synthesize a new class of charge-selective molecules and use them todesign highly stable perovskite/CTL contacts that will enable the fabrication of high-efficiency and long-term stable PSCs. Unlikeexisting CTLs, the newly developed charge-selective molecules will be perovskite-specific and incorporate functional linker units,targeting to address all perovskite/contact interface problems simultaneously. Different from the existing literature studies, thisproject will follow not a specific but a complete set of the International Summit on Organic Photovoltaic Stability protocols to revealthe 'true' reliability of perovskite/contact interfaces. The holistic approach of this project, coupled with extensive characterizations,will generate new knowledge to address the long-lasting stability issue of PSCs, thereby enabling the commercialization of thispromising technology. Overall, the advanced device concepts that will be developed could pave the way to the next generation of PVtechnologies beyond 2030.