Issue 24, 2019

Strong thickness-dependent quantum confinement in all-inorganic perovskite Cs2PbI4 with a Ruddlesden–Popper structure

Abstract

In recent years, two-dimensional (2D) organic–inorganic perovskites have been attracting considerable attention because of their unique performance and enhanced stability for photovoltaic solar cells or photoluminescent devices. However, how the two-dimensionality affects the photoelectric properties of all-inorganic perovskites remains unclear. In this work, the electronic and optical properties including band structures, carrier mobility, optical absorption spectra and exciton-binding energies for the all-inorganic perovskite Cs2PbI4 with a Ruddlesden–Popper (RP) structure are investigated systemically by using density functional theory with a spin orbit coupling (SOC) effect. The calculated results demonstrate the thickness-dependence of electronic properties in the all-inorganic 2D RP perovskite Cs2PbI4 and its carrier mobility which is comparable to that of CsPbI3 thin films. The exciton-binding energies of perovskite Cs2PbI4 with a RP structure increase with the decrease of the number of layers. Besides, the value of exciton-binding energy for monolayers (181.70 meV) is more than 3 times larger than that of CsPbI3 (59.12 meV). Moreover, the calculated results show that two dimensional layered Ruddlesden–Popper perovskite Cs2PbI4 may not be a good material for photovoltaic applications due to its low carrier mobility and poor visible light absorption, but may be a good material for light-emission applications due to its larger thickness-dependent exciton binding energy. Our work would provide a theoretical basis for other ultrathin two-dimensional perovskite materials with potential application for photoluminescent devices or solar absorbers.

Graphical abstract: Strong thickness-dependent quantum confinement in all-inorganic perovskite Cs2PbI4 with a Ruddlesden–Popper structure

Supplementary files

Article information

Article type
Paper
Submitted
29 4 2019
Accepted
15 5 2019
First published
16 5 2019

J. Mater. Chem. C, 2019,7, 7433-7441

Strong thickness-dependent quantum confinement in all-inorganic perovskite Cs2PbI4 with a Ruddlesden–Popper structure

Y. Ding, Q. Zhao, Z. Yu, Y. Zhao, B. Liu, P. He, H. Zhou, K. Li, S. Yin and M. Cai, J. Mater. Chem. C, 2019, 7, 7433 DOI: 10.1039/C9TC02267H

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