史俊杰
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史俊杰
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论文成果
Two-Dimensional 111-Type In-Based Halide Perovskite Cs3In2X9 (X=Cl, Br, I) with Optimal Band Gap for Photovoltaics and Defect-Insensitive Blue Emission
发布时间：2020-06-03点击次数：
影响因子：
0.0
DOI码：
10.1103/PhysRevApplied.13.024031
发表刊物：
Phys. Rev. Applied
摘要：
Despite rapid progress in the power-conversion efficiency of Pb-based perovskite solar cells, both the long-term instability and Pb toxicity are still the main challenges for their commercial applications. Here, by first-principles GW calculations, we find three kinds of two-dimensional (2D) 111-type Pb-free Inbased halide perovskites of the form Cs3In2X9 (X = Cl, Br, I) as promising alternatives to the star material CH3NH3PbI3 (MAPbI3) because of the following excellent electronic, optical, and transport properties: (i) The 2D In-based halide perovskites are environmentally friendly lead-free materials. (ii) Compared
with MAPbX3, they have greater structural stability. (iii) As energetic photovoltaic materials, 2D Cs3In2I9 perovskites are direct-band-gap semiconductors with optimal band gaps from 1.25 eV (trilayer) to 1.47 eV (monolayer). (iv) The 2D Cs3In2X9 perovskites have ideal band structures for solid-state lighting with a wide direct-optical-band-gap range (approximately 0.94–3.54 eV), covering the whole visible-light region, and light electron (heavy hole) effective mass, which will directly enhance the defect-insensitive emission efficiency due to the localization of holes. Particularly, Cs3In2BrxCl9−x has a suitable direct optical band gap for highly desired blue emission. (v) The absorption coefficient of Cs3In2X9 is up to 7 × 104 cm−1, which is between that of GaAs (104 cm−1) and that of MAPbI3 (105 cm−1). (vi) The estimated powerconversion efficiency in Cs3In2I9 reaches 28%, which is close to that of MAPbI3 (30%). These findings pave a way for designing nontoxic, stable, and high-performance photovoltaic and light-emitting devices.
卷号：
13
页面范围：
024031
是否译文：
否
发表时间：
2020-02-12
收录刊物：
SCI
附件：
上一条：Design of Lead-Free and Stable Two-Dimensional Dion−Jacobson-Type Chalcogenide Perovskite A'La2B3S10 (A'=Ba/Sr/Ca; B=Hf/Zr) with Optimal Band Gap, Strong Optical Absorption, and High Efficiency for Photovoltaics
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