Bismuth-based halide double perovskite Cs2KBiCl6:Disorder and luminescence

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外文摘要：A new bismuth-based halide double perovskite Cs2KBiCl6 was isolated successfully through solid-state re-actions 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 5-298K 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 environ-ment.These findings could have general application and help to understand the structure and property of halide perovskites.

外文关键词：

Halide perovskiteDouble perovskiteLuminescenceDisordered structureDirect bandgap

作者：

Pan Liu、Yanming Sun、Alberto J.Fernández-Carrión、Bowen Zhang、Hui Fu、Lunhua He、Xing Ming、Congling Yin、Xiaojun Kuang

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作者单位：

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

Analytical Instrumentation Center,College of Chemistry and Molecular Engineering,Peking University,Beijing 100871,China

Spallation Neutron Source Science Center,Dongguan 523803,China

Chinese Academic of Science,Institute of Physics,Beijing National Laboratory for Condensed Matter Physics,Beijing 100190,China

Songshan Lake Materials Laboratory,Dongguan 523808,China

College of Science,Guilin University of Technology,Guilin 541004,China

College of Chemistry and Bioengineering,Guilin University of Technology,Guilin 541004,China

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基金：

国家自然科学基金国家自然科学基金广西自然科学基金广西自然科学基金Foundation of Guilin University of Technology

项目编号：

22090043221610142019GXNSFGA2450062020GXNSFAA297220GUTQDJJ2018115

出版年：

2024

DOI：

10.1016/j.cclet.2023.108641

中国化学快报(英文版)

中国化学会

中国化学快报(英文版)

CSTPCD

影响因子：0.771

ISSN：1001-8417

年,卷(期)：2024.35(5)

参考文献量56