期刊
JOURNAL OF PHYSICAL CHEMISTRY C
卷 123, 期 23, 页码 14865-14870出版社
AMER CHEMICAL SOC
DOI: 10.1021/acs.jpcc.9b03536
关键词
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资金
- US Department of Energy, Office of Energy Science [DE-SC0010692]
- Office of China Postdoctoral Council
- Department of Energy (DOE) Office of Energy Efficiency and Renewable Energy (EERE) Postdoctoral Research Award under the EERE Solar Energy Technologies Office
- Oak Ridge Associated Universities (ORAU) under DOE [DE-SC00014664]
- U.S. Department of Energy (DOE) [DE-SC0010692] Funding Source: U.S. Department of Energy (DOE)
Alloying inorganic cations such as Cs+ or Rb+ into hybrid lead halide perovskites has been shown to provide long-term material stability critical to the implementation in solar cells, but little is known about how cation alloying affects the electronic properties. Here we study single crystals of mixed-cation lead bromide perovskite, Cs-x(CH3NH3)(1-x) PbBr3, in a range of cation mixing ratios, x = 0.05-0.3. In contrast to the continuous bandgap tunability known for mixed-anion alloys, we find that the bandgaps of Cs-x(CH3NH3)(1-x) PbBr3 single crystals adopt a bimodal distribution, with bandgaps similar to those of pure CH3NH3PbBr3 for x <= 0.13 and pure CsPbBr 3 for x > 0.13. Single-crystal X-ray diffraction reveals a structural origin of this abrupt change in bandgap: with increasing Cs concentration, there is a similar to 3% lattice shrinkage and appearance of twin splitting at x >= 0.13. These findings are manifestations of the structural complexity and phase instability of lead halide perovskites.
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