期刊
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
卷 10, 期 3, 页码 501-506出版社
AMER CHEMICAL SOC
DOI: 10.1021/acs.jpclett.8b03717
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资金
- Center for Hybrid Organic Inorganic Semiconductors for Energy (CHOISE), an Energy Frontier Research Center - Office of Basic Energy Sciences, Office of Science within the US Department of Energy
- National Science Foundation [DMR-1807818]
- Ohio Research Scholar Program
- Office of Science of the U.S. Department of Energy [DE-AC02-05CH11231]
Broadband emission is attributed to the formation of self-trapped excitons (STEs) due to the strong electron-phonon coupling. Interestingly, it has been observed in only certain three-dimensional and low-dimensional metal halide perovskites. Here, we show by density functional theory calculation that a low electronic dimensionality is a prerequisite for the formation of STE and, therefore, broadband emission. We further show that multiple STE structures exist in each perovskite exhibiting broadband emission. However, only the STE with Jahn-Teller-like octahedral distortion is mainly responsible for the observed broadband emission, though it may not be the lowest-energy structure. Our results provide important insights for designing perovskite materials for broadband emissions with preferred chromaticity coordinator or color temperature.
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