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

Li, Qian; Li, Shourui; Wang, Kai; Quan, Zewei; Meng, Yue; Zou, Bo

doi:10.1021/acs.jpclett.6b02786

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

Journal Article · Tue Jan 10 00:00:00 EST 2017 · Journal of Physical Chemistry Letters

DOI:https://doi.org/10.1021/acs.jpclett.6b02786· OSTI ID:1342245

Li, Qian ^[1]; Li, Shourui ^[2]; Wang, Kai ^[3]; Quan, Zewei ^[4]; Meng, Yue ^[5];

^[3]

Jilin Univ., Changchun (China); South Univ. of Science and Technology of China, Guangdong (China); Carnegie Inst. of Washington, Argonne, IL (United States)
China Academy of Engineering Physics, Mianyang (China)
Jilin Univ., Changchun (China)
South Univ. of Science and Technology of China, Guangdong (China)
Carnegie Inst. of Washington, Argonne, IL (United States)

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. Lastly, this work combines crystal structure and macroscopic property together and offers new strategies for the further design and synthesis of hybrid perovskite-like alternatives.

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Research Organization:: Argonne National Lab. (ANL), Argonne, IL (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES); National Science Foundation (NSF); USDOE National Nuclear Security Administration (NNSA)

Grant/Contract Number:: AC02-06CH11357; NA0001974; FG02-99ER45775

OSTI ID:: 1342245

Journal Information:: Journal of Physical Chemistry Letters, Vol. 8, Issue 2; ISSN 1948-7185

Publisher:: American Chemical SocietyCopyright Statement

Country of Publication:: United States

Language:: ENGLISH

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Cited by: 48 works

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

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References (33)

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