Issue 30, 2021

Quasi-2D lead-free halide perovskite using superalkali cations for red-light-emitting diodes

Abstract

Two dimensional halide perovskites have attracted intense attention, but there is no study to consider quasi-2D lead-free perovskites with superalkali cations as potential emitting materials. Herein, the quasi-2D [C6H5(CH2)2NH3]2H5O2Sn2Br7 perovskite is systematically studied by using ab initio molecular dynamics simulation and first principles calculations. The calculated results show that the quasi-2D perovskite has negative formation energy, small effective hole and electron masses, stable dynamics performance, suitable exciton binding energy and direct band gap, and H5O2 superalkali cations that don’t agglomerated. Moreover, the band-edge states do not change for the quasi-2D perovskite after ab initio molecular dynamics simulation of 3 ps. Overall, our results indicated that the quasi-2D [C6H5(CH2)2NH3]2H5O2Sn2Br7 perovskite may be applied to red-light-emitting diodes.

Graphical abstract: Quasi-2D lead-free halide perovskite using superalkali cations for red-light-emitting diodes

Supplementary files

Article information

Article type
Paper
Submitted
02 Jun 2021
Accepted
23 Jun 2021
First published
23 Jun 2021

Nanoscale, 2021,13, 13152-13157

Quasi-2D lead-free halide perovskite using superalkali cations for red-light-emitting diodes

T. Zhou and A. Kuang, Nanoscale, 2021, 13, 13152 DOI: 10.1039/D1NR03529K

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