Electronic and optical properties of lead-free hybrid double perovskites for photovoltaic and optoelectronic applications.

ABSTRACT: Developing of lead-free double perovskites have drawn significant interest for photovoltaics and optoelectronics as the materials have the potential to avoid toxicity and instability issues associated with lead-based organometallic perovskites. In this study, we report the optoelectronic properties of a new group of non-toxic lead-free organic-inorganic halide double perovskites composed of caesium (Cs), methylammonium (MA) or formamidinium (FA) with bismuth (Bi) and metal copper (Cu). We perform density functional theory investigations to calculate the structural, electronic and optical properties of 18 Pb-free compounds, ABiCuX₆ [A = Cs₂, (MA)₂, (FA)₂, CsMA, CsFA, MAFA; X = I, Br, Cl] to predict their suitability in photovoltaic and optoelectro

SUBMITTER: Roknuzzaman M 

PROVIDER: S-EPMC6345881 | biostudies-literature | 2019 Jan

REPOSITORIES: biostudies-literature