Low-dimensional metal halide perovskites have demonstrated promising luminescence properties for light-emitting diodes due to their high radiative recombination rate.[1] Control over the chemical compositions and structural dimensionality of these materials further offer an exciting opportunity to widely tune the color as well as bandwidths of emission. However, the lack of a complete understanding of the structure-property relationship hinders the systematic design of these materials to enhance their luminescence efficiency. Combining state-of-the-art nonadiabatic molecular dynamics and time-domain density functional theory, we explore the substantial effects of structural fluctuations on the excited state dynamics and carrier recombination in these low-dimensional halide perovskites. In my presentation, I will demonstrate how structurally rigid halide perovskites experience weaker electron-phonon interactions, resulting in suppressed non-radiative carrier recombination and enhanced photoluminescence quantum yield (PLQE).[2,3] Our work revealed that several factors such as stacking of the spacer cations, thickness and halogen composition of the inorganic layers substantially tune the PLQE of these materials. Based on these understanding, we further propose a combination of suitable spacer cations and inorganic layer compositions to improve the emission properties of low-dimensional halide perovskites.

Carrier dynamics and recombination in low-dimensional halide perovskites: Role of structural fluctuations

Macromolecular Chemistry: The Second Century

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ACS Spring 2020 National Meeting & Expo

The official archive and repository for all ACS Meetings & Expositions abstracts and select posters or presentations.