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Lead-free and stable antimony-silver-halide double perovskite (CH3NH3)(2)AgSbI6
Li, Ya-Juan1,2; Wu, Tao3; Sun, Lei1; Yang, Rui-Xia1; Jiang, Lei1; Cheng, Peng-Fei1,2; Hao, Qun-Qing1,2; Wang, Tian-Jun1; Lu, Rui-Feng3; Deng, Wei-Qiao1
刊名RSC ADVANCES
2017
DOI10.1039/c7ra06130g
7期:56页:35175-35180
收录类别SCI
文章类型Article
WOS标题词Science & Technology ; Physical Sciences
类目[WOS]Chemistry, Multidisciplinary
研究领域[WOS]Chemistry
关键词[WOS]STRUCTURAL PHASE-TRANSITIONS ; TOTAL-ENERGY CALCULATIONS ; WAVE BASIS-SET ; SOLAR-CELLS ; PHOTOVOLTAIC APPLICATIONS ; SINGLE-CRYSTALS ; STABILITY ; PERFORMANCE ; EFFICIENCY ; (CH3NH3)3SB2I9
英文摘要A mixed metal organic-inorganic perovskite (CH3NH3)(2)AgSbI6 was developed in which pairs of the Pb(II) atoms in traditional CH3NH3PbI3 perovskite are replaced by Sb(III)/Ag(I) aliovalent units. We used density functional theory (DFT) calculations (the GLLB-SC method) with spin-orbit coupling corrections to predict the optical band gap of the most stable MA(2)AgSbI(6) structure (2.00 eV). The results suggest that it is a promising light absorber. We then synthesized the double perovskite MA(2)AgSbI(6) and confirmed its structure using X-ray diffraction (XRD). The optical band gap (1.93 eV) is in good agreement with the DFT calculations. The band positions of the material (vs. vacuum) are provided for future uses such as achieving the precise energy level alignments for potential photovoltaic applications. This perovskite material exhibits excellent stability in ambient air.
语种英语
WOS记录号WOS:000405811400030
引用统计
文献类型期刊论文
条目标识符http://cas-ir.dicp.ac.cn/handle/321008/151903
专题中国科学院大连化学物理研究所
作者单位1.Chinese Acad Sci, State Key Lab Mol React Dynam, Dalian Inst Chem Phys, 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
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GB/T 7714
Li, Ya-Juan,Wu, Tao,Sun, Lei,et al. Lead-free and stable antimony-silver-halide double perovskite (CH3NH3)(2)AgSbI6[J]. RSC ADVANCES,2017,7(56):35175-35180.
APA Li, Ya-Juan.,Wu, Tao.,Sun, Lei.,Yang, Rui-Xia.,Jiang, Lei.,...&Deng, Wei-Qiao.(2017).Lead-free and stable antimony-silver-halide double perovskite (CH3NH3)(2)AgSbI6.RSC ADVANCES,7(56),35175-35180.
MLA Li, Ya-Juan,et al."Lead-free and stable antimony-silver-halide double perovskite (CH3NH3)(2)AgSbI6".RSC ADVANCES 7.56(2017):35175-35180.
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