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Nano Research

Article Title

Rod-shaped thiocyanate-induced abnormal band gap broadening in SCN doped CsPbBr3 perovskite nanocrystals

Authors

Yongbing Lou, Jiangsu Key Laboratory of Advanced Metallic Materials, School of Chemistry and Chemical Engineering, Southeast University, Nanjing 211189, China
Yandan Niu, Jiangsu Key Laboratory of Advanced Metallic Materials, School of Chemistry and Chemical Engineering, Southeast University, Nanjing 211189, China
Dongwen Yang, Key Laboratory of Automobile Materials of MOE, State Key Laboratory of Superhard Materials, and College of Materials Science, Jilin University, Changchun 130012, China
Qiaoling Xu, Key Laboratory of Automobile Materials of MOE, State Key Laboratory of Superhard Materials, and College of Materials Science, Jilin University, Changchun 130012, China
Yuhang Hu, Jiangsu Key Laboratory of Advanced Metallic Materials, School of Chemistry and Chemical Engineering, Southeast University, Nanjing 211189, China
Ying Shen, Jiangsu Key Laboratory of Advanced Metallic Materials, School of Chemistry and Chemical Engineering, Southeast University, Nanjing 211189, China
Jing Ming, Jiangsu Key Laboratory of Advanced Metallic Materials, School of Chemistry and Chemical Engineering, Southeast University, Nanjing 211189, China
Jinxi Chen, Jiangsu Key Laboratory of Advanced Metallic Materials, School of Chemistry and Chemical Engineering, Southeast University, Nanjing 211189, China
Lijun Zhang, Key Laboratory of Automobile Materials of MOE, State Key Laboratory of Superhard Materials, and College of Materials Science, Jilin University, Changchun 130012, China
Yixin Zhao, School of Environmental Science and Engineering, Shanghai Jiao Tong University, 800 Dongchuan Road, Shanghai 200240, China

Keywords

pseudohalide thiocyanate, doping, perovskite nanocrystals, cesium lead halide

Abstract

ABSTRACT In this work, the pseudohalide thiocyanate has been demonstrated as a promising alternative to the halide anion to engineer optoelectronic properties of inorganic/ organic hybrid perovskites because it exhibits better chemical stability than the halide anion. Previous reports have suggested that the ionic radii and electronegativity of SCN− is close to that of I−; the SCN− doped CH3NH3PbI3 exhibited similar optical properties as pure CH3NH3PbI3. Consequently, it was expected that doping of CsPbBr3 perovskite with SCN− would result in band gap narrowing. Interestingly, the photoluminescent all-inorganic CsPbBr3 perovskite nanocrystals exhibit an abnormal blue shift in optical properties and improvement of the crystallinity when successfully doped by SCN−. Combined experimental and theoretical investigations revealed that doping of the CsPbBr3 perovskite with the rod-like SCN− anion introduced disorder in the crystal lattice, leading to its expansion, and impacted the electronic structure of the perovskite with band gap broadening.

Graphical Abstract

Publisher

Tsinghua University Press

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