@article{Zhao2022, 
author = {Peng Zhao and Jie Su and Yujia Guo and Lu Wang and Zhenhua Lin and Yue Hao and Xiaoping Ouyang and Jingjing Chang},
title = {Cs2TiI6: A potential lead-free all-inorganic perovskite material for ultrahigh-performance photovoltaic cells and alpha-particle detection},
year = {2022},
journal = {Nano Research},
volume = {15},
number = {3},
pages = {2697-2705},
keywords = {Cs2TiI6, first-principle theory, drift-diffusion model, Monte Carlo method, alpha-particle detection},
url = {https://www.sciopen.com/article/10.1007/s12274-021-3801-5},
doi = {10.1007/s12274-021-3801-5},
abstract = {The lead contamination and long-term stability are the two important problems limiting the commercialization of organic–inorganic lead halide perovskites. In this study, through an innovative multi-scale simulation strategy based on the first-principle calculations coupling with drift-diffusion model and Monte Carlo method, a new discovery is shed on the vacancy-ordered double perovskite Cs2TiI6, a potential nontoxic and stable perovskite material for high-performance solar cell and α-particle detection. The excellent photon absorption character and ultrahigh carrier mobility (μn = 2.26×104 cm2/Vs, μp = 7.38×103 cm2/Vs) of Cs2TiI6 induce ultrahigh power conversion efficiency (PCE) for both single-junction solar cell (22.70%) and monolithic all-perovskite tandem solar cell (26.87%). Moreover, the outstanding device performance can be remained even in high energy charge particle detection (α-particle) with excellent charge collection efficiency (CCE = 99.2%) and mobility-lifetime product (μτh = 1×10–3 cm2/V). Furthermore, to our surprise, the solar cell and α-particle detector based on Cs2TiI6 material are able to withstand ultrahigh fluence proton beam up to 1013 and 1015 p/cm2 respectively, which strongly suggests that semiconductor devices based on Cs2TiI6 material are able to apply in the astrospace. The multi-scale simulation connecting from material to device reveals that Cs2TiI6 perovskite has the great potential for photovoltaic cells, α-particle detection and even their space application.}
}