基于硫基分子修饰策略的钙钛矿太阳能电池研究进展-中国材料进展

文章信息/Info

Title:: Progress of the Research on Sulfur-Based Molecule Modification Strategies in Perovskite Solar Cells

Author(s):: Wang Hongqiang; Liu Kexin; Yang Kexin; Wan Shuyuan; Yang Yang; Northwestern Polytechnical University， Xi’an 710016， China

Keywords:: Perovskite Solar Cells; Sulfur-based Molecules; Defect Passivation; Stability; Crystallization Control

摘要:: 钙钛矿太阳能电池作为新一代光伏技术的代表，实验室效率已突破27%，但其稳定性仍是产业化路上的主要障碍。效率衰减源于四大核心问题：缺陷诱导的非辐射复合、离子迁移、界面能级失配与化学反应，以及水氧光热的环境侵蚀。这些问题的共同根源在于钙钛矿材料表面、晶界及界面处大量存在的配位不饱和位点。硫基分子凭借软路易斯碱特性、可调的分子结构和疏水性质，能够与这些位点形成强相互作用，从缺陷钝化、结晶调控、水氧屏障构筑和界面能级调制四个层面协同修复光电转换过程。本文系统梳理了上述限制因素的物理化学本质，阐述了硫基分子的核心作用机制，并结合近期代表性工作进行了总结。最后，对硫基分子在钙钛矿光伏领域的未来发展方向进行了展望。

Abstract:: Perovskite solar cells represent a new generation of photovoltaic technology. Their laboratory efficiency has exceeded 27%. However, their stability remains a major obstacle to industrialization. The efficiency degradation comes from four core issues: defect-induced non-radiative recombination, ion migration,interface energy level mismatch and chemical reactions, as well as environmental erosion from moisture, oxygen, light, and heat. The common root cause of these problems is the large number of coordination-unsaturated sites on the surfaces, grain boundaries, and interfaces of perovskite materials. Sulfur-based molecules possess soft Lewis base characteristics. They also have tunable molecular structures and hydrophobic properties. They can form strong interactions with these sites. Therefore, they can synergistically repair the photoelectric conversion process from four aspects: defect passivation,crystallization control, moisture-oxygen barrier construction, and interface energy level modulation. This paper systematically reviews the physicochemical nature of the above limiting factors. It also elaborates on the core mechanisms of sulfur-based molecules. Recent representative works are summarized. Finally, future directions for sulfur-based molecules in perovskite photovoltaics are discussed.