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 CsAgBiBrand recently reported 2D all-inorganic double perovskite CsAgBiBrwith 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 CsAgBiBr(2D) is poorer than CsAgBiBr(3D). Moreover, the value of exciton-binding energy for 2D RP all-inorganic double perovskite CsAgBiBr(720 meV) is 3 times larger than that of 3D all-inorganic double perovskite CsAgBiBr(240 meV). Our works indicate that CsAgBiBr(2D) is a promising material for luminescent device, while CsAgBiBr(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.
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