Electronic Properties of 2D Perovskites NMA2PbBr4 and NEA2PbBr4 for PeLED Applications: First Principle Approach

Perovskite light emitting diode (PeLED) with two-dimensional perovskite NMA2PbBr4 and NEA2PbBr4 is proposed as an active area. These materials have aromatic cations and have outstanding stability compared to three-dimensional (3D) perovskite materials. In this study, using density functional theory...

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Bibliographic Details
Published in2024 32nd International Conference on Electrical Engineering (ICEE) pp. 1 - 4
Main Authors Shokouhi, Samad, Saadatmand, Seyedeh Bita, Ahmadi, Vahid
Format Conference Proceeding
LanguageEnglish
Published IEEE 14.05.2024
Subjects
Band structures
density functional theory
Discrete Fourier transforms
Perovskite light emitting diode
Photonic band gap
Refractive index
Stability criteria
thermodynamic stability
Thermodynamics
Three-dimensional displays
two-dimensional perovskite
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Summary:Perovskite light emitting diode (PeLED) with two-dimensional perovskite NMA2PbBr4 and NEA2PbBr4 is proposed as an active area. These materials have aromatic cations and have outstanding stability compared to three-dimensional (3D) perovskite materials. In this study, using density functional theory (DFT), thermodynamic stability, bandgap, effective mass, density of states, and refractive index are investigated. NMA 2 PbBr 4 and NEA 2 PbBr 4 have a direct gap of 2.714 (eV) and 2.607 (eV), respectively. The reason for the blue shift of NEA 2 PbBr 4 compared to NMA 2 PbBr 4 is the smaller bond angle Pb-Br-Pb and more overlap of orbitals.
ISSN:2642-9527
DOI:10.1109/ICEE63041.2024.10667787