Contrasting the stability, octahedral distortions, and optoelectronic properties of 3D MABX₃ and 2D (BA)₂(MA)B₂X₇ (B = Ge, Sn, Pb; X = Cl, Br, I) perovskites

Abstract

Efficient surface passivation and toxic lead (Pb) are known obstacles to the photovoltaic application of perovskite-based solar cells. A possible solution for those problems is to use thin-films of two-dimensional...

Cubic-to-hexagonal structural phase transition in metal halide compounds: a DFT study

“…Some attractive solutions to retain the perovskite structure in these materials, excluding special chemical treatments and/or depositions 8 have considered quantum connement. Their implementation as quantum dots, 9 or sandwiched in conjunction with a 2D perovskite 10,11 have helped in this purpose. However, even when a nearly pure layer of FAPbI 3 is synthesized, the hexagonal dphase could still be present in the compound.…”