Mixed-Halide Double Perovskite Cs2AgBiX6 (X=Br, I) with Tunable Optical Properties via Anion Exchange

被引:28
|
作者
Wu, Hua [1 ]
Erbing, Axel [2 ]
Johansson, Malin B. [1 ]
Wang, Junxin [3 ,4 ]
Kamal, Chinnathambi [2 ,5 ]
Odelius, Michael [2 ]
Johansson, Erik M. J. [1 ]
机构
[1] Uppsala Univ, Angstrom Lab, Dept Chem, Inst Phys Chem, S-75120 Uppsala, Sweden
[2] Stockholm Univ, Dept Phys, AlbaNova Univ Ctr, S-10691 Stockholm, Sweden
[3] Uppsala Univ, Dept Mat Sci & Engn, Angstrom Lab, S-75103 Uppsala, Sweden
[4] Univ Oxford, Dept Chem, Chem Res Lab, 12 Mansfield Rd, Oxford OX1 3TA, England
[5] Raja Ramanna Ctr Adv Technol, Theory & Simulat Lab, HRDS, Indore 452013, India
基金
瑞典研究理事会;
关键词
bandgap engineering; density functional calculations; ion exchange; lead-free double perovskites; solar cells; ORGANOMETAL TRIHALIDE PEROVSKITE; SOLAR-CELLS; COLLOIDAL NANOCRYSTALS; PHASE SEGREGATION; BAND-GAPS; EFFICIENCY; FORMAMIDINIUM; SUBSTITUTION; CONVERSION; IODIDE;
D O I
10.1002/cssc.202101146
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
Lead-free double perovskites, A(2)M(+)M(' 3+)X(6), are considered as promising alternatives to lead-halide perovskites, in optoelectronics applications. Although iodide (I) and bromide (Br) mixing is a versatile tool for bandgap tuning in lead perovskites, similar mixed I/Br double perovskite films have not been reported in double perovskites, which may be due to the large activation energy for ion migration. In this work, mixed Br/I double perovskites were realized utilizing an anion exchange method starting from Cs2AgBiBr6 solid thin-films with large grain-size. The optical and structural properties were studied experimentally and theoretically. Importantly, the halide exchange mechanism was investigated. Hydroiodic acid was the key factor to facilitate the halide exchange reaction, through a dissolution-recrystallization process. In addition, the common organic iodide salts could successfully perform halide-exchange while retaining high mixed-halide phase stability and strong light absorption capability.
引用
收藏
页码:4507 / 4515
页数:9
相关论文
共 50 条
  • [41] A first-principles study on the optoelectronic properties of mixed-halide double perovskites Cs2TiI6-xBrx
    Liu, Diwen
    Zha, Wenying
    Yuan, Rusheng
    Chen, Jianming
    Sa, Rongjian
    NEW JOURNAL OF CHEMISTRY, 2020, 44 (32) : 13613 - 13618
  • [42] Highly Tunable Emission by Halide Engineering in Lead-Free Perovskite-Derivative Nanocrystals: The Cs2SnX6 (X = Cl, Br, Br/I, I) System
    Veronese, Alessandro
    Patrini, Maddalena
    Bajoni, Daniele
    Ciarrocchi, Carlo
    Quadrelli, Paolo
    Malavasi, Lorenzo
    FRONTIERS IN CHEMISTRY, 2020, 8
  • [43] Tuning the electronic dimensionality and bandgap in Cs2AgBiX6 (X = Br, Cl) for photovoltaic applications: a DFT-1/2 study of cation disorder
    Vadagavi, Vinut R.
    Jafri, R. Imran
    Menon, Krishnakumar S. R.
    Mandal, Suman
    Physical Chemistry Chemical Physics, 2024, 26 (47) : 29595 - 29603
  • [44] Study of optoelectronic and thermoelectric properties of double perovskites Rb2AgBiX6 (X = Br, I): by DFT approach
    Mebed, Abdelazim M.
    Al-Qaisi, Samah
    Ali, Malak Azmat
    EUROPEAN PHYSICAL JOURNAL PLUS, 2022, 137 (08):
  • [45] First-principles study of halide double perovskite Cs2SnX6 (X=Cl, Br, I) for solar cell applications
    Khuili, M.
    Ouhammou, A.
    Fazouan, N.
    Atmani, E. H.
    Allaoui, I.
    Al-Qaisi, S.
    Maher, K.
    Bouidmar, R.
    MODERN PHYSICS LETTERS B, 2024, 38 (01):
  • [46] Halide double perovskite Cs2AgInBr6 for photovoltaic's applications: Optical properties and stability
    Menedjhi, Adel
    Bouarissa, Nadir
    Saib, Salima
    Bouamama, Khaled
    OPTIK, 2021, 243
  • [47] Microstructural analysis and optical properties of the halide double perovskite Cs2BiAgBr6 single crystals
    Lozhkina, O. A.
    Murashkina, A. A.
    Elizarov, M. S.
    Shilovskikh, V. V.
    Zolotarev, A. A.
    Kapitonov, Yu. V.
    Kevorkyants, R.
    Emeline, A. V.
    Miyasaka, T.
    CHEMICAL PHYSICS LETTERS, 2018, 694 : 18 - 22
  • [48] Electronic, optical and thermoelectric properties of halide double perovskites Rb2AgInX6 (X = Cl, Br, I)
    Hnuna, Lai
    Pachuau, Z.
    PHYSICA SCRIPTA, 2023, 98 (03)
  • [49] First-principles study on the electronic and optical properties of strain-tuned mixed-halide double perovskites Cs2TiI6-xBrx
    Sheng, Si-Yuan
    Zhao, Yang-Yang
    PHYSICA B-CONDENSED MATTER, 2022, 626
  • [50] Study of the structural, electronic, mechanical, electro-thermal and optical properties of double perovskite structures Cs2SbAgX6, (X = I, Br, or Cl)
    Jafar, Aqel Mashot
    Khalaph, Kawther A.
    Al Husseini, Hussein B.
    PHYSICA SCRIPTA, 2022, 97 (08)