Opto-electronic properties of organic-inorganic Tin-based perovskite: A theoretical investigations
1 Faculty of Materials and Manufacturing, Beijing University of technology, No.100, Pingleyuan, Chaoyang District, Beijing, China.
2 MRS Institute of Physics and Mathematics, Pakistan.
Research Article
World Journal of Advanced Research and Reviews, 2023, 17(01), 836–845
Article DOI: 10.30574/wjarr.2023.17.1.0070
Publication history:
Received on 05 December 2022; revised on 20 January 2023; accepted on 23 January 2023
Abstract:
Lead-free perovskite gained much more attention of researchers in the field of electronics and photovoltaics due to the toxicity issue of the lead-based perovskite. Using first principle approach based on density functional theory (DFT), the electronic and optical properties of methylammonium tin halide (MTH) perovskite ASnX3 (A = CH3NH3, X = Cl, Br, I) is calculated, the key material for optoelectronic applications, especially for solar cells. The halide contents control the electronic and optical characteristics of material such as orbitals, density of states and optical conductivity. We have identified orbitals consisting of valence and conduction band. Furthermore, the compound ASnI3 shows a suitable band gap than all others compound which makes him suitable candidate for solar cells application.
Keywords:
Perovskite; DFT; Solar cells; Optoelectronic
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