First principles study of structural, electronic and optical properties of Cs-doped HC(NH2)2PbI3 for photovoltaic applications

Autor: Jyoti Thakur, Ankur Taya, Priti Rani, Manish K. Kashyap, Renu Singla
Rok vydání: 2019
Předmět:
Zdroj: DAE SOLID STATE PHYSICS SYMPOSIUM 2018.
ISSN: 0094-243X
DOI: 10.1063/1.5113449
Popis: Hybrid halide perovskites (HHPs) based solar cells are currently under intense investigation as the solar cells based on these materials show extraordinary power conversion efficiencies exceeding 22 % with unusual characteristics. Through first-principles pseudopotential calculations, we have investigated the structural, electronic and optical properties of Pb-based HHP, HC(NH2)2PbI3 (FAPbI3) and analyzed the effect of incorporating inorganic Cs+ at formamidinium (FA+) cation site. Our results exhibit that 12.5% of Cs-doping not only increases the optical performance of FAPbI3 solar cell absorbers by enhancing the absorption coefficient but also provides the stability to the absorber material, making it a promising candidate for highly efficient and stable perovskite solar cells.
Databáze: OpenAIRE