Rod-shaped thiocyanate-induced abnormal band gap broadening in SCN^- doped CsPbBr3 perovskite nanocrystals
Rod-shaped thiocyanate-induced abnormal band gap broadening in SCN^- doped CsPbBr3 perovskite nanocrystals作者机构：Jiangsu Key Laboratory of Advanced Metallic Materials School of Chemistry and Chemical Engineering Southeast University Nanjing 211189 China Key Laboratory of Automobile Materials of MOE State Key Laboratory of Superhard Materials and College of Materials Science Jilin University Changchun 130012 China School of Environmental Science and Engineering Shanghai Jiao Tong University 800 Dongchuan Road Shanghai 200240 China
出 版 物：《Nano Research》 (纳米研究（英文版）)
年 卷 期：2018年第11卷第5期
页 面：2715-2723页
核心收录：
学科分类：081704[工学-应用化学] 07[理学] 08[工学] 0817[工学-化学工程与技术] 09[农学] 0703[理学-化学] 0901[农学-作物学] 070301[理学-无机化学] 0836[工学-生物工程] 090102[农学-作物遗传育种]
基 金：This work was sponsored by the National Natural Science Foundation of China (Nos. 21475021 21427807 61722403 11404131 and 11674121) the Natural Science Foundation of Jiangsu Province (No. BK20141331) the Fundamental Research Funds for the Central Universities Program for JLU Science and Technology Innovative Research Team the Special Fund for Talent Exploitation in Jilin Province of China Jiangsu provincial financial support of fundamental conditions and science and technology for people's livelihood for Jiangsu key laboratory of advanced metallic materials (No. BM2007204)
主 题：pseudohalide thiocyanate doping perovskite nanocrystals cesium lead halide
摘 要：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.
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