High-Pressure Study of Perovskite-Like Organometal Halide: Band-Gap Narrowing and Structural Evolution of [NH3-(CH2)4-NH3]CuCl4
Abstract
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 CuCl42–. 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.
- Authors:
-
[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)
- Publication Date:
- Research Org.:
- Argonne National Lab. (ANL), Argonne, IL (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES); National Science Foundation (NSF); USDOE National Nuclear Security Administration (NNSA)
- OSTI Identifier:
- 1342245
- Grant/Contract Number:
- AC02-06CH11357; NA0001974; FG02-99ER45775
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Journal of Physical Chemistry Letters
- Additional Journal Information:
- Journal Volume: 8; Journal Issue: 2; Journal ID: ISSN 1948-7185
- Publisher:
- American Chemical Society
- Country of Publication:
- United States
- Language:
- ENGLISH
- Subject:
- 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; chemical structure; absorption; electrical conductivity; phase transitions; layers
Citation Formats
Li, Qian, Li, Shourui, Wang, Kai, Quan, Zewei, Meng, Yue, and Zou, Bo. High-Pressure Study of Perovskite-Like Organometal Halide: Band-Gap Narrowing and Structural Evolution of [NH3-(CH2)4-NH3]CuCl4. United States: N. p., 2017.
Web. doi:10.1021/acs.jpclett.6b02786.
Li, Qian, Li, Shourui, Wang, Kai, Quan, Zewei, Meng, Yue, & Zou, Bo. High-Pressure Study of Perovskite-Like Organometal Halide: Band-Gap Narrowing and Structural Evolution of [NH3-(CH2)4-NH3]CuCl4. United States. https://doi.org/10.1021/acs.jpclett.6b02786
Li, Qian, Li, Shourui, Wang, Kai, Quan, Zewei, Meng, Yue, and Zou, Bo. Tue .
"High-Pressure Study of Perovskite-Like Organometal Halide: Band-Gap Narrowing and Structural Evolution of [NH3-(CH2)4-NH3]CuCl4". United States. https://doi.org/10.1021/acs.jpclett.6b02786. https://www.osti.gov/servlets/purl/1342245.
@article{osti_1342245,
title = {High-Pressure Study of Perovskite-Like Organometal Halide: Band-Gap Narrowing and Structural Evolution of [NH3-(CH2)4-NH3]CuCl4},
author = {Li, Qian and Li, Shourui and Wang, Kai and Quan, Zewei and Meng, Yue and Zou, Bo},
abstractNote = {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 CuCl42–. 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.},
doi = {10.1021/acs.jpclett.6b02786},
journal = {Journal of Physical Chemistry Letters},
number = 2,
volume = 8,
place = {United States},
year = {Tue Jan 10 00:00:00 EST 2017},
month = {Tue Jan 10 00:00:00 EST 2017}
}
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