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First-Principles Study on the Structure, Electronic, and Optical Properties of Cs2AgBiBr6-xClx Mixed-Halide Double Perovskites

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Double halide perovskites Cs2AgBiX6 (X = Cl, Br) have been proposed as promising nontoxic materials with enhanced chemical stability for the optoelectronic application. Controllably tuning the band... Click to show full abstract

Double halide perovskites Cs2AgBiX6 (X = Cl, Br) have been proposed as promising nontoxic materials with enhanced chemical stability for the optoelectronic application. Controllably tuning the band...

Keywords: structure electronic; principles study; electronic optical; halide; first principles; study structure

Journal Title: Journal of Physical Chemistry C
Year Published: 2020

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