A Prediction of All-Inorganic Lead-Free Halide Perovskites for Photovoltaic Application: Rb₃Mo₂Br₉ and Rb₃Mo₂Cl₉.

ABSTRACT: Lead-based organic-inorganic hybrid perovskites show promise as photovoltaic materials due to their high energy conversion efficiencies. However, concerns regarding lead toxicity and the poor environmental and operational stability of the organic cationic group have limited their widespread application. To address these challenges, the design of all-inorganic lead-free halide perovskites offers potential solutions for photovoltaic applications. Here, two layered perovskite derivatives, Rb₃Mo₂Cl₉ and Rb₃Mo₂Br₉, are explored, and their electronic, structural, and photovoltaic properties are analyzed using advanced theoretical calculations. Rb₃Mo₂Br₉ exhibits a suitable direct bandgap of 1.60 eV

SUBMITTER: Deng X 

PROVIDER: S-EPMC11615774 | biostudies-literature | 2024 Dec

REPOSITORIES: biostudies-literature