Understanding Sn-Pb perovskite structures for efficient optoelectronic devices

Since human has been suffering from energy shortage and the challenge of extreme climate induced by fossil fuels during past decades, developing green energy is of significant importance. Recently, organic-inorganic hybrid perovskites have emerged as the star material in photovoltaics. The currently studied perovskite photovoltaics fall to harvest light beyond 800 nm, thus limit the efficiency advance of perovskite solar cells. Promisingly, Sn-Pb based perovskites show the broad absorption covering 300 to 1100 nm, indicating its applications in single-junction and tandem solar cells. Meanwhile, the excellent optoelectronic properties of Sn-Pb based perovskites indicate its wide uses in other optoelectronic devices, such as photodetectors, light-emitting diodes and memory.
As a consequence, understanding Sn-Pb perovskites by vienna ab initio simulation package will guide the related work. We will explore why Sn-Pb perovskites harbor high electron/hole mobility, high carrier diffusion length, low trap-assisted recombination, etc. The findings and results will be published in high-impact journals.