Combining theory and experiment in the design of a lead-free ((CH3NH3)2AgBiI6) double perovskite

被引：79

作者：

Cheng, Pengfei ^{[1
,2
]}

Wu, Tao ^{[1
,3
]}

Li, Yajuan ^{[1
,2
]}

Jiang, Lei ^{[1
]}

Deng, Weiqiao ^{[1
]}

Han, Keli ^{[1
]}

机构：

[1] Chinese Acad Sci, Dalian Inst Chem Phys, State Key Lab Mol React Dynam, Dalian 116023, Peoples R China

[2] Univ Chinese Acad Sci, Beijing 100039, Peoples R China

[3] Nanjing Univ Sci & Technol, Dept Appl Phys, Nanjing 210094, Jiangsu, Peoples R China

来源：

NEW JOURNAL OF CHEMISTRY | 2017年 / 41卷 / 18期

基金：

中国国家自然科学基金;

关键词：

HALIDE DOUBLE PEROVSKITE; SOLAR-CELLS; PHOTOVOLTAIC APPLICATIONS; IODIDE PEROVSKITE; ABSORBER; DIFFUSION; TRANSPORT; DENSITY; LAYERS; BR;

D O I：

10.1039/c7nj02365k

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

Under the guidance of our theoretical calculations, we synthesized a lead-free double perovskite ((CH3NH3)(2)AgBiI6) and explored its electronic structure and optical properties using a combination of experiment and density functional theory. (CH3NH3)(2)AgBiI6 has an indirect bandgap of 1.96 eV, and exhibits high-stability in air.

引用

页码：9598 / 9601

页数：4

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