2D and 3D double perovskite with dimensionality-dependent optoelectronic properties: first-principle study on Cs 2 AgBiBr 6 and Cs 4 AgBiBr 8 .

Autor: Chen YL; Key Laboratory for Micro/Nano Optoelectronic Devices of Ministry of Education & Hunan Provincial Key Laboratory of Low-Dimensional Structural Physics and Devices, School of Physics and Electronics, Hunan University, Changsha 410082, People's Republic of China., Yan DN; Key Laboratory for Micro/Nano Optoelectronic Devices of Ministry of Education & Hunan Provincial Key Laboratory of Low-Dimensional Structural Physics and Devices, School of Physics and Electronics, Hunan University, Changsha 410082, People's Republic of China., Zeng MW; Key Laboratory for Micro/Nano Optoelectronic Devices of Ministry of Education & Hunan Provincial Key Laboratory of Low-Dimensional Structural Physics and Devices, School of Physics and Electronics, Hunan University, Changsha 410082, People's Republic of China., Liao CS; Key Laboratory for Micro/Nano Optoelectronic Devices of Ministry of Education & Hunan Provincial Key Laboratory of Low-Dimensional Structural Physics and Devices, School of Physics and Electronics, Hunan University, Changsha 410082, People's Republic of China., Cai MQ; Key Laboratory for Micro/Nano Optoelectronic Devices of Ministry of Education & Hunan Provincial Key Laboratory of Low-Dimensional Structural Physics and Devices, School of Physics and Electronics, Hunan University, Changsha 410082, People's Republic of China.
Jazyk: angličtina
Zdroj: Journal of physics. Condensed matter : an Institute of Physics journal [J Phys Condens Matter] 2021 Nov 17; Vol. 34 (6). Date of Electronic Publication: 2021 Nov 17.
DOI: 10.1088/1361-648X/ac34ae
Abstrakt: Recently, the effect of dimensional control on the optoelectronic performance of two-dimensional (2D)/three-dimensional (3D) single perovskites has been confirmed. However, how the dimensional change affects the photoelectric properties of 2D/3D all-inorganic double perovskites remains unclear. In this study, we present a detailed theoretical research on a comparison between the optoelectronic properties of 3D all-inorganic double perovskite Cs 2 AgBiBr 6 and recently reported 2D all-inorganic double perovskite Cs 4 AgBiBr 8 with Ruddlesden-Popper (RP) structure based on density functional theory calculations. The results demonstrate the charge carrier mobility and absorption coefficients in the visible spectrum of Cs 4 AgBiBr 8 (2D) is poorer than Cs 2 AgBiBr 6 (3D). Moreover, the value of exciton-binding energy for 2D RP all-inorganic double perovskite Cs 4 AgBiBr 8 (720 meV) is 3 times larger than that of 3D all-inorganic double perovskite Cs 2 AgBiBr 6 (240 meV). Our works indicate that Cs 4 AgBiBr 8 (2D) is a promising material for luminescent device, while Cs 2 AgBiBr 6 (3D) may be suitable for photovoltaic applications. This study provides a theoretical guidance for the understanding of 2D RP all-inorganic double perovskite with potential applications in photo-luminescent devices.
(© 2021 IOP Publishing Ltd.)
Databáze: MEDLINE
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