Universal rules for visible-light absorption in hybrid perovskite materials

被引:97
作者
Kato, Masato [1 ]
Fujiseki, Takemasa [1 ]
Miyadera, Tetsuhiko [2 ]
Sugita, Takeshi [2 ]
Fujimoto, Shohei [1 ]
Tamakoshi, Masato [1 ]
Chikamatsu, Masayuki [2 ]
Fujiwara, Hiroyuki [1 ]
机构
[1] Gifu Univ, Dept Elect Elect & Comp Engn, 1-1 Yanagido, Gifu 5011193, Japan
[2] Natl Inst Adv Ind Sci & Technol, Res Ctr Photovolta, Cent 5,1-1-1 Higashi, Tsukuba, Ibaraki 3058568, Japan
关键词
ORGANIC-INORGANIC PEROVSKITES; FORMAMIDINIUM LEAD IODIDE; METAL-HALIDE PEROVSKITES; SOLAR-CELLS; OPTICAL-PROPERTIES; ELECTRONIC-STRUCTURE; ROOM-TEMPERATURE; CRYSTAL PHASE; EFFICIENCY; INTERPLAY;
D O I
10.1063/1.4978071
中图分类号
O59 [应用物理学];
学科分类号
摘要
A variety of organic-inorganic hybrid perovskites (APbX(3)) consisting of mixed center cations [A = CH3NH3+, HC(NH2)(2)(+), and Cs+] with different PbX3- cages (X = I, Br, and Cl) have been developed to realize high-efficiency solar cells. Nevertheless, clear understanding of the effects of A and X on the optical transition has been lacking. Here, we present universal rules that allow the unified interpretation of the optical absorption in various hybrid perovskites. In particular, we find that the influence of the A-site cation on the light absorption is rather significant and the absorption coefficient (a) reduces to half when CH3NH3+ is replaced with HC(NH2)(2+) in the APbI(3) system. Our density functional theory calculations reproduce all of the fine absorption features observed in HC(NH2)(2)PbI3 and CH3NH3PbBr3, allowing the unique assignment of the interband transitions in the Brillouin zone. In contrast to general understanding that the A-site cation involves weakly in the optical process, our theoretical calculations reveal that the center cation plays a critical role in the interband transition and the absorption strength in the visible region is modified by the strong A-X interaction. Furthermore, our systematic analyses show that the variation of the absorption spectrum with X can be described simply by the well-known sum rule. The universal rules established in this study explain the large reduction of a in HC(NH2)(2)PbI3 and predict CsPbI3 as the highest a material. Published by AIP Publishing.
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页数:14
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共 85 条
[1]  
Adachi S., 2012, The Handbook on Optical Constants of Metals: in Tables and Figures
[2]   Cation-Induced Band-Gap Tuning in Organohalide Perovskites: Interplay of Spin-Orbit Coupling and Octahedra Tilting [J].
Amat, Anna ;
Mosconi, Edoardo ;
Ronca, Enrico ;
Quarti, Claudio ;
Umari, Paolo ;
Nazeeruddin, Md. K. ;
Graetzel, Michael ;
De Angelis, Filippo .
NANO LETTERS, 2014, 14 (06) :3608-3616
[3]   Real-Time Observation of Organic Cation Reorientation in Methylammonium Lead Iodide Perovskites [J].
Bakulin, Artem A. ;
Selig, Oleg ;
Bakker, Huib J. ;
Rezus, Yves L. A. ;
Mueller, Christian ;
Glaser, Tobias ;
Lovrincic, Robert ;
Sun, Zhenhua ;
Chen, Zhuoying ;
Walsh, Aron ;
Frost, Jarvist M. ;
Jansen, Thomas L. C. .
JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 2015, 6 (18) :3663-3669
[4]   Optical properties and limiting photocurrent of thin-film perovskite solar cells [J].
Ball, James M. ;
Stranks, Samuel D. ;
Hoerantner, Maximilian T. ;
Huettner, Sven ;
Zhang, Wei ;
Crossland, Edward J. W. ;
Ramirez, Ivan ;
Riede, Moritz ;
Johnston, Michael B. ;
Friend, Richard H. ;
Snaith, Henry J. .
ENERGY & ENVIRONMENTAL SCIENCE, 2015, 8 (02) :602-609
[5]   Energy Landscape of Molecular Motion in Cubic Methylammonium Lead Iodide from First-Principles [J].
Bechtel, Jonathon S. ;
Seshadri, Ram ;
Van der Ven, Anton .
JOURNAL OF PHYSICAL CHEMISTRY C, 2016, 120 (23) :12403-12410
[6]   Role of Cations on the Electronic Transport and Optical Properties of Lead-Iodide Perovskites [J].
Berdiyorov, Golibjon R. ;
Kachmar, Ali ;
El-Mellouhi, Fedwa ;
Carignano, Marcelo A. ;
Madjet, Mohamed El-Amine .
JOURNAL OF PHYSICAL CHEMISTRY C, 2016, 120 (30) :16259-16270
[7]   Organometal halide perovskite solar cells: degradation and stability [J].
Berhe, Taame Abraha ;
Su, Wei-Nien ;
Chen, Ching-Hsiang ;
Pan, Chun-Jern ;
Cheng, Ju-Hsiang ;
Chen, Hung-Ming ;
Tsai, Meng-Che ;
Chen, Liang-Yih ;
Dubale, Amare Aregahegn ;
Hwang, Bing-Joe .
ENERGY & ENVIRONMENTAL SCIENCE, 2016, 9 (02) :323-356
[8]   Efficient luminescent solar cells based on tailored mixed-cation perovskites [J].
Bi, Dongqin ;
Tress, Wolfgang ;
Dar, M. Ibrahim ;
Gao, Peng ;
Luo, Jingshan ;
Renevier, Clementine ;
Schenk, Kurt ;
Abate, Antonio ;
Giordano, Fabrizio ;
Baena, Juan-Pablo Correa ;
Decoppet, Jean-David ;
Zakeeruddin, Shaik Mohammed ;
Nazeeruddin, Mohammad Khaja ;
Gratzel, Michael ;
Hagfeldt, Anders .
SCIENCE ADVANCES, 2016, 2 (01)
[9]   Stabilization of the Trigonal High-Temperature Phase of Formamidinium Lead Iodide [J].
Binek, Andreas ;
Hanusch, Fabian C. ;
Docampo, Pablo ;
Bein, Thomas .
JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 2015, 6 (07) :1249-1253
[10]  
Brenner TM, 2016, NAT REV MATER, V1, DOI 10.1038/natrevmats.2015.7