Zhang Yuqi, Yang Zhenhai, Ma Tianshu, Ai Zhenhai, Bao Yining, Shi Luolei, Qin Linling, Cao Guoyang, Wang Changlei, Li Xiaofeng
School of Optoelectronic Science and Engineering & Collaborative Innovation Center of Suzhou Nano Science and Technology Soochow University Suzhou 215006 China.
Key Lab of Advanced Optical Manufacturing Technologies of Jiangsu Province & Key Lab of Modern Optical Technologies of Education Ministry of China Soochow University Suzhou 215006 China.
Small Sci. 2024 Jan 20;4(3):2300188. doi: 10.1002/smsc.202300188. eCollection 2024 Mar.
Mixed-dimensional perovskites possess unique photoelectric properties and are widely used in perovskite solar cells (PSCs) to improve their efficiency and stability. However, there is a pressing need for a deeper understanding of the physical mechanisms and design principles of mixed-dimensional PSCs, as such knowledge gaps impose restrictions on unlocking the full potential of this kind of PSC. Herein, a 2D/3D PSC is employed as an example to clarify the working mechanism of mixed-dimensional PSCs from the perspective of device physics and elaborate on the design rules of high-efficiency mixed-dimensional PSCs. Detailed simulation results indicate that the insertion of a layer of 2D perovskite between the 3D perovskite and the hole transport layer (HTL) can significantly reduce the recombination at the HTL/perovskite interface, and PSCs with a 2D/3D perovskite structure exhibit higher tolerance to material selectivity compared with their 3D counterparts. Additionally, the 2D/3D perovskite design can slow down ion migration and accumulation processes, thereby easing the hysteresis behavior of 2D/3D PSCs. Moreover, it is also found that the 2D/3D perovskite structure has a more pronounced effect on improving the efficiency of wide-bandgap PSCs. Overall, this work sheds new light on mixed-dimensional PSCs, enabling better guidance for designing high-efficiency PSCs.
混合维钙钛矿具有独特的光电特性，被广泛应用于钙钛矿太阳能电池（PSC）中以提高其效率和稳定性。然而，迫切需要更深入地了解混合维PSC的物理机制和设计原则，因为这些知识空白限制了这类PSC充分发挥其潜力。在此，以二维/三维PSC为例，从器件物理的角度阐明混合维PSC的工作机制，并详细阐述高效混合维PSC的设计规则。详细的模拟结果表明，在三维钙钛矿和空穴传输层（HTL）之间插入一层二维钙钛矿可以显著减少HTL/钙钛矿界面处的复合，并且与三维结构的PSC相比，具有二维/三维钙钛矿结构的PSC对材料选择性表现出更高的耐受性。此外，二维/三维钙钛矿设计可以减缓离子迁移和积累过程，从而缓解二维/三维PSC的滞后行为。而且，还发现二维/三维钙钛矿结构对提高宽带隙PSC的效率有更显著的影响。总体而言，这项工作为混合维PSC提供了新的见解，为设计高效PSC提供了更好的指导。
