全硫族化合物传输层实现高效稳定的FAPbI3钙钛矿太阳能电池

Abstract Perovskite solar cells (PSCs) are now recognized as pivotal in photovoltaic research that combine high power conversion efficiency with cost-effective fabrication processes. However, commercial deployment of this technology is still hindered by the standard electron-transport material (ETM) TiO 2 and the hole-transport material (HTM) Spiro-OMeTAD, which suffer from stability, performance, and cost issues. In the present work, we use SCAPS-1D simulations to explore a wide range of alternative transport layers for FA-based FAPbI 3 devices. After validating our model by reproducing the 25.6 % efficiency of a TiO 2 /Spiro-OMeTAD reference cell, we systematically evaluated a broad range of ETLs and HTLs and analysed their influence on device performance. The pairing of WS 2 as the electron transport layer and CuGaSe 2 (CGSe) as the hole transport layer emerged as the most effective combination, delivering better energy-level alignment, higher charge mobility, and lower recombination without altering the active layer. Once optimized, this WS 2 /CGSe architecture increased the simulated power conversion efficiency to more than 26,55 %. Both materials can be deposited at low temperatures via scalable methods, underscoring their potential as stable, cost-effective transport layers for next-generation PSCs.