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无铅二维锗锡混合钙钛矿

Lead-Free, Two-Dimensional Mixed Germanium and Tin Perovskites.

作者信息

Cheng Pengfei, Wu Tao, Liu Junxue, Deng Wei-Qiao, Han Keli

机构信息

State Key Laboratory of Molecular Reaction Dynamics , Dalian Institute of Chemical Physics, Chinese Academy of Sciences , Dalian 116023 , P. R. China.

University of the Chinese Academy of Sciences, Beijing 100039 , P. R. China.

出版信息

J Phys Chem Lett. 2018 May 17;9(10):2518-2522. doi: 10.1021/acs.jpclett.8b00871. Epub 2018 Apr 30.

Abstract

Hybrid two-dimensional (2D) organic-inorganic perovskites continue to draw increased attention in view of their outstanding performance in optoelectronic devices such as solar cells and light-emitting devices. Herein, for the first time, we report the synthesis and characterization of lead-free, 2D mixed Ge-Sn halide perovskites, (PEA)GeSn I (where PEA = CHCHCHNH), and demonstrate that the bandgaps decrease linearly with increasing Sn content. Most importantly, among them, (PEA)GeSnI possesses the smallest bandgap of 1.95 eV. Density functional theory calculations confirm that Sn substitution induces a smaller bandgap and more dispersed band structure, which are desirable characteristics of light-absorbing materials. In addition, conductivity and stability of (PEA)GeSnI have also been assessed.

摘要

鉴于混合二维(2D)有机-无机钙钛矿在太阳能电池和发光器件等光电器件中表现出色,它们继续受到越来越多的关注。在此,我们首次报道了无铅二维混合锗-锡卤化物钙钛矿(PEA)GeSnI(其中PEA = CHCHCHNH)的合成与表征,并证明其带隙随锡含量的增加呈线性减小。最重要的是,其中(PEA)GeSnI具有1.95 eV的最小带隙。密度泛函理论计算证实,锡取代导致带隙变小且能带结构更分散,这是吸光材料所需的特性。此外,还评估了(PEA)GeSnI的导电性和稳定性。

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