High-Pressure Study of Perovskite-Like Organometal Halide: Band-Gap Narrowing and Structural Evolution of [NH3-(CH2)4-NH3]CuCl4

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• 作者：Qian Li ; Shourui Li ; Kai Wang ; Zewei Quan ; Yue Meng ; Bo Zou
• 刊名：The Journal of Physical Chemistry Letters
• 出版年：2017
• 出版时间：January 19, 2017
• 年：2017
• 卷：8
• 期：2
• 页码：500-506
• 全文大小：610K
• ISSN：1948-7185

文摘

Searching for nontoxic and stable perovskite-like alternatives to lead-based halide perovskites for photovoltaic application is one urgent issue in photoelectricity science. Such exploration inevitably requires an effective method to accurately control both the crystalline and electronic structures. This work applies high pressure to narrow the band gap of perovskite-like organometal halide, [NH₃-(CH₂)₄-NH₃]CuCl₄ (DABCuCl₄), through the crystalline-structure tuning. The band gap keeps decreasing below ∼12 GPa, involving the shrinkage and distortion of CuCl₄^2–. Inorganic distortion determines both band-gap narrowing and phase transition between 6.4 and 10.5 GPa, and organic chains function as the spring cushion, evidenced by the structural transition at ∼0.8 GPa. The supporting function of organic chains protects DABCuCl₄ from phase transition and amorphization, which also contributes to the sustaining band-gap narrowing. This work combines crystal structure and macroscopic property together and offers new strategies for the further design and synthesis of hybrid perovskite-like alternatives.