题目：Optical, Electrical, Thermal, Stress, and Energy Yield Simulations Enhance the Performance and Stability of Perovskite Photovoltaics

作者：Qi Henry Chen†^a, Yuqi Zhang†^b, Pengfei Huang^d, Qi Chen^ac, Zhenhai Yang^b*, and Yan Jiang^ac*

单位：

^aSchool of Materials Science and Engineering, Beijing Institute of Technology, Beijing 100081, China

^bSchool of Optoelectronic Science and Engineering & Collaborative Innovation Center of Suzhou Nano Science and Technology, Soochow University, Suzhou 215006, China

^cAerospace and Informatics Domain, Beijing Institute of Technology Zhuhai, Guangdong, 519088, China

^dPetroChina Shenzhen New Energy Research Institute Co., Ltd. Shenzhen, Guangdong, 518063, China

Abstract: Device simulations have become indispensable tools for advancing the performance and deepening the understanding of perovskite solar cells (PSCs). These simulations enable a systematic exploration of light management strategies, charge transport mechanisms, and device architecture optimization. This review comprehensively highlights the criticalrole of modeling in the development of PSCs, with a focus on five key domains: optical management (light absorption, reflection, and scattering), electrical processes (carrier dynamics, defect passivation, and interface engineering),thermal effects (heat generation and dissipation), mechanical stress(structural stability and degradation mechanisms), and energy yield (real-world output power, performance improvement, and device degradation). The integration of multiphysics simulations to address complex device challenges and to accelerate the development of high-efficiency and stable PSCs is also discussed. Key achievements in tandem architecture optimization, interface engineering, and insights into device degradation pathways under real-world operating conditions are thoroughly summarized. Finally, remaining challenges, such as modeling non-idealities, the scalability of simulation approaches, and experimental validation, are identified, and offer an outlook on future directions in multiphysics modeling. By bridging theoretical and experimental perspectives, this review emphasizes the transformative potential of simulations in enabling higher performance, enhanced stability, and broader application of perovskite photovoltaics (PV) in sustainable energy systems.

摘要：器件仿真已成为提升钙钛矿太阳能电池性能和加深对其理解的必备工具。这些仿真能够系统地探索光管理策略、电荷传输机制以及器件结构优化。本综述系统强调了仿真模拟在钙钛矿太阳能电池发展中的关键作用，重点关注五个关键领域：光学管理（光吸收、反射和散射）、电学过程（载流子动力学、缺陷钝化和界面工程）、热效应（热生成和散热）、机械应力（结构稳定性和降解机制）以及能量产出（实际输出功率、性能提升和器件降解）。还讨论了多物理场模拟在应对复杂器件挑战以及加速高效稳定钙钛矿太阳能电池开发中的综合应用。对叠层结构优化、界面工程以及在实际运行条件下器件降解途径的见解进行了全面总结。最后，文中指出了诸如建模非理想性、模拟方法的可扩展性以及实验验证等挑战，并对多物理场建模的未来方向进行了展望。通过将理论视角与实验视角相结合，这篇综述强调了仿真模拟技术在提升性能、增强稳定性以及扩大钙钛矿光伏在可持续能源系统中的应用范围方面的变革性潜力。

影响因子：26.8

链接：https://doi.org/10.1002/adma.202514184