Lead-free and stable antimony-silver-halide double perovskite (CH3NH3)(2)AgSbI6
文献类型：期刊论文
| 作者 | Sun, Lei1; Deng, Wei-Qiao1; Lu, Rui-Feng3; Wang, Tian-Jun1; Hao, Qun-Qing1,2; Cheng, Peng-Fei1,2; Jiang, Lei1; Yang, Rui-Xia1; Wu, Tao3; Li, Ya-Juan1,2 |
| 刊名 | RSC ADVANCES
 |
| 出版日期 | 2017 |
| 卷号 | 7期号:56页码:35175-35180 |
| 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. |
| 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 |
| 收录类别 | SCI |
| 语种 | 英语 |
| WOS记录号 | WOS:000405811400030 |
| 源URL | [http://cas-ir.dicp.ac.cn/handle/321008/151903]  |
| 专题 | 大连化学物理研究所_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 |
| 推荐引用方式 GB/T 7714 | Sun, Lei,Deng, Wei-Qiao,Lu, Rui-Feng,et al. Lead-free and stable antimony-silver-halide double perovskite (CH3NH3)(2)AgSbI6[J]. RSC ADVANCES,2017,7(56):35175-35180. |
| APA | Sun, Lei.,Deng, Wei-Qiao.,Lu, Rui-Feng.,Wang, Tian-Jun.,Hao, Qun-Qing.,...&Li, Ya-Juan.(2017).Lead-free and stable antimony-silver-halide double perovskite (CH3NH3)(2)AgSbI6.RSC ADVANCES,7(56),35175-35180. |
| MLA | Sun, Lei,et al."Lead-free and stable antimony-silver-halide double perovskite (CH3NH3)(2)AgSbI6".RSC ADVANCES 7.56(2017):35175-35180. |
入库方式： OAI收割
来源：大连化学物理研究所
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