Tuning the electronic dimensionality and bandgap in Cs2AgBiX6 (X = Br, Cl) for photovoltaic applications: a DFT-1/2 study of cation disorder

被引:0
|
作者
Vadagavi, Vinut R. [1 ]
Jafri, R. Imran [1 ]
Menon, Krishnakumar S. R. [2 ]
Mandal, Suman [3 ]
机构
[1] Department of Physics and Electronics, CHRIST (Deemed to be University), Hosur Road, Bengaluru,560029, India
[2] Surface Physics and Material Science Division, Saha Institute of Nuclear Physics, HBNI, 1/AF Bidhannagar, Kolkata,700064, India
[3] Department of Physics, Sabang Sajanikanta Mahavidyalaya, Lutunia, West Bengal, 721166, India
关键词
D O I
10.1039/d4cp03808h
中图分类号
学科分类号
摘要
84
引用
收藏
页码:29595 / 29603
相关论文
共 50 条
  • [1] DFT study of double perovskites Cs2AgBiX6 (X = Cl, Br): An alternative of hybrid perovskites
    Alotaibi, Nouf H.
    Mustafa, Ghulam M.
    Kattan, Nessrin A.
    Mahmood, Q.
    Albalawi, Hind
    Morsi, Manal
    Somaily, H. H.
    Hafez, Mohamed A.
    Mahmoud, Hisham, I
    Amin, Mohammed A.
    JOURNAL OF SOLID STATE CHEMISTRY, 2022, 313
  • [2] Electronic and optical properties of the lead free halide double perovskites Cs2AgBiX6(X = F, Cl, Br and I) for the photovoltaic and optoelectronic applications
    Amraoui, S.
    Feraoun, A.
    Kerouad, M.
    INORGANIC CHEMISTRY COMMUNICATIONS, 2022, 140
  • [3] Thermodynamic, optical, and morphological studies of the Cs2AgBiX6 double perovskites (X = Cl, Br, and I): Insights from DFT study
    Chrafih, Younes
    Al-Hattab, Mohamed
    Rahmani, Khalid
    JOURNAL OF ALLOYS AND COMPOUNDS, 2023, 960
  • [4] Density functional theory study of structural, electronic, optical, mechanical, and thermodynamic properties of halide double perovskites Cs2AgBiX6 (X = Cl, Br, I) for photovoltaic applications
    Rehman, Muhammad Awais
    Rehman, Jalil Ur
    Tahir, M. Bilal
    JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS, 2023, 181
  • [5] Study of the structural, elastic, electronic and optical properties of lead free halide double perovskites Cs2AgBiX6(X = Br, Cl)
    Ghebouli, M. A.
    Chihi, T.
    Ghebouli, B.
    Fatmi, M.
    CHINESE JOURNAL OF PHYSICS, 2018, 56 (01) : 323 - 330
  • [6] Efficient Direct Band Gap Photovoltaic Material Predicted Via Doping Double Perovskites Cs2AgBiX6 (X = Cl, Br)
    Ma, Xinbo
    Li, Zhenyu
    Yang, Jinlong
    JOURNAL OF PHYSICAL CHEMISTRY C, 2021, 125 (20): : 10868 - 10875
  • [7] Ab Initio Investigation for Solar Technology on the Optical and Electronic Properties of Double Perovskites Cs2AgBiX6(X=Cl, Br, I)
    Al-Hattab, Mohamed
    Chrafih, Younes
    Oublal, Essaadia
    Sahal, Mustapha
    Moudou, L'houcine
    Bajjou, Omar
    Rahmani, Khalid
    ECS JOURNAL OF SOLID STATE SCIENCE AND TECHNOLOGY, 2023, 12 (09)
  • [8] Structural, elastic, electronic and optical properties of lead-free halide double perovskite Cs2AgBiX6 (X = Cl, Br, and I)
    Tripathi, Madhvendra Nath
    Saha, Aditi
    Singh, Santosh
    MATERIALS RESEARCH EXPRESS, 2019, 6 (11)
  • [9] Phase transition and mechanical properties of cesium bismuth silver halide double perovskites (Cs2AgBiX6, X = Cl, Br, I): a DFT approach
    Faghihnasiri, Mahdi
    Beheshtian, Javad
    Shayeganfar, Farzaneh
    Shahsavari, Rouzbeh
    PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2020, 22 (10) : 5959 - 5968