First-principles Study of Electronic Properties of Dimethyl-Ammonium Tin Triidostanate (II) Perovskite for Photo-voltaic Application in Solar Cell
|International Journal of Applied Physics|
|© 2021 by SSRG - IJAP Journal|
|Volume 8 Issue 3|
|Year of Publication : 2021|
|Authors : Perpetua Jelimo Chemaoi, P.W.O Nyawere, C. M. Maghanga|
How to Cite?
Perpetua Jelimo Chemaoi, P.W.O Nyawere, C. M. Maghanga, "First-principles Study of Electronic Properties of Dimethyl-Ammonium Tin Triidostanate (II) Perovskite for Photo-voltaic Application in Solar Cell," SSRG International Journal of Applied Physics, vol. 8, no. 3, pp. 20-23, 2021. Crossref, https://doi.org/10.14445/23500301/IJAP-V8I3P104
Metal-halide perovskites have emerged as a novel and promising photovoltaic materials for use in solar cells. In the current research, they are the potential light-harvesting mediums. The electronic properties of Dimethylammoniumtriodostanate (II) hybrid halide perovskites are of much importance and need to be studied because it can be a good light absorber material due to the wide bandgap exhibited. We employed the PBE-GGA exchange-correlation implemented in Quantum Espresso based on DFT to study the electronic properties. From the study, the band structure and energy bandgap of 2.7 ev a direct bandgap were obtained. The density of states (DOS) and the partial density of states( PDOS ) were also determined. It was found that the VBM major contributions are from I-5p and Sn-5s and little hybridization by Sn-5p. On the other hand, the CBM is significantly contributed from Sn-5p and I-5p and is little hybridized by I-5s. The band structure and the density of states (DOS) are important in analyzing the electronic properties of materials which are key in the use of DASNI3 as a solar cell material in photovoltaics.
Density, functional, theory, first, principle
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