Citation: Pan Liu, Yanming Sun, Alberto J. Fernández-Carrión, Bowen Zhang, Hui Fu, Lunhua He, Xing Ming, Congling Yin, Xiaojun Kuang. Bismuth-based halide double perovskite Cs₂KBiCl₆: Disorder and luminescence[J]. Chinese Chemical Letters, ;2024, 35(5): 108641. doi: 10.1016/j.cclet.2023.108641 shu

Bismuth-based halide double perovskite Cs₂KBiCl₆: Disorder and luminescence

Pan Liu ^a ,
Yanming Sun ^a ,
Alberto J. Fernández-Carrión ^a ,
Bowen Zhang ^a ,
Hui Fu ^b ,
Lunhua He ^{c, d, e} ,
Xing Ming ^f ,
Congling Yin ^{a, *,} ,
Xiaojun Kuang ^{a, g, *,}

a.
MOE Key Laboratory of New Processing Technology for Nonferrous Metal and Materials, Guangxi Key Laboratory of Optic and Electronic Materials and Devices, College of Materials Science and Engineering, Guilin University of Technology, Guilin 541004, China
b.
Analytical Instrumentation Center, College of Chemistry and Molecular Engineering, Peking University, Beijing 100871, China
c.
Spallation Neutron Source Science Center, Dongguan 523803, China
d.
Chinese Academic of Science, Institute of Physics, Beijing National Laboratory for Condensed Matter Physics, Beijing 100190, China
e.
Songshan Lake Materials Laboratory, Dongguan 523808, China
f.
College of Science, Guilin University of Technology, Guilin 541004, China
g.
College of Chemistry and Bioengineering, Guilin University of Technology, Guilin 541004, China

congling.yin@glut.edu.cn

kuangxj@glut.edu.cn

Received Date: 18 April 2023
Revised Date: 4 May 2023
Accepted Date: 31 May 2023
Available Online: 2 June 2023

Figures(4)

A new bismuth-based halide double perovskite Cs₂KBiCl₆ was isolated successfully through solid-state reactions and investigated using X-ray and neutron diffraction. Rather than an ordered structure, the crystal structure consists of shifted Cs, K, Bi, and Cl sites from the ideal positions with fractional occupancy in compensation, leading to variable local coordination of Cs⁺ ions, as revealed by ¹³³Cs solid-state nuclear magnetic resonance spectroscopy. Cs₂KBiCl₆ displays volume hysteresis at 5–298 K range upon heating and cooling. The Cs₂KBiCl₆ has a direct bandgap of 3.35(2) eV and red-shift luminescence of around 600 nm upon Mn doping compared with the Na analogue. The stabilization of disordered structure in Cs₂KBiCl₆ is related to two factors including the large-sized K⁺ cation which prefers to coordinate with more than six Cl⁻, and the Bi³⁺ with 6s² lone pair which has a preference for a local asymmetric environment. These findings could have general application and help to understand the structure and property of halide perovskites.
- Halide perovskite,
- Double perovskite,
- Luminescence,
- Disordered structure,
- Direct bandgap
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Bismuth-based halide double perovskite Cs2KBiCl6: Disorder and luminescence

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Bismuth-based halide double perovskite Cs₂KBiCl₆: Disorder and luminescence