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Computational modeling of perovskite structured methylammonium lead iodide as a solar absorber

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dc.contributor.author Nanayakkara, HATV
dc.contributor.author Sewvandi, GA
dc.contributor.editor Chathuranga, D
dc.date.accessioned 2022-08-24T05:58:44Z
dc.date.available 2022-08-24T05:58:44Z
dc.date.issued 2018-05
dc.identifier.citation H. A. T. V. Nanayakkara and G. A. Sewvandi, "Computational Modeling of Perovskite Structured Methylammonium Lead Iodide as a Solar Absorber," 2018 Moratuwa Engineering Research Conference (MERCon), 2018, pp. 367-371, doi: 10.1109/MERCon.2018.8421955. en_US
dc.identifier.uri http://dl.lib.uom.lk/handle/123/18700
dc.description.abstract Halide Perovskite materials play a prominent role in solar cell industry as they comprise with advanced photovoltaic properties. Research is mainly based on the objective of investigating basic fundamental properties of CH3NH3PbI3 using Viana Ab-Initio Simulation Package(VASP). Before go to the experimental data analysis we have simulated fundamental photovoltaic properties of Methyl Ammonium Lead Iodide using computational method. CH3NH3PbI3 perovskite undergoes a phase transition between orthorhombic, tetragonal and cubic around 165K and 327K. Then the most stable structures are tetragonal and cubic phases. Therefore, in this research we have focused to study the basic crystallographic orientations, Energy band gap variation, Density of states in P, S orbitals and effective mass values of cubic and tetragonal phases in Methyl Ammonium Lead Iodide. Basic Density Function (DFT) theories like Local-density approximation of Kohn-Sham theory, Exchange correlation functional are basically used for theoretical calculations in this computational study. en_US
dc.language.iso en en_US
dc.publisher IEEE en_US
dc.relation.uri https://ieeexplore.ieee.org/document/8421955 en_US
dc.subject Perovskite structure en_US
dc.subject Methyl ammonium lead Iodide perovskite en_US
dc.subject Density Function Theory en_US
dc.subject Computational en_US
dc.subject VASP en_US
dc.title Computational modeling of perovskite structured methylammonium lead iodide as a solar absorber en_US
dc.type Conference-Full-text en_US
dc.identifier.faculty Engineering en_US
dc.identifier.department Engineering Research Unit, University of Moratuwa en_US
dc.identifier.year 2018 en_US
dc.identifier.conference 2018 Moratuwa Engineering Research Conference (MERCon) en_US
dc.identifier.place Moratuwa, Sri Lanka en_US
dc.identifier.pgnos pp. 367-371 en_US
dc.identifier.proceeding Proceedings of 2018 Moratuwa Engineering Research Conference (MERCon) en_US
dc.identifier.email nanayakkarahatv@gmail.com en_US
dc.identifier.email galhenagea@uom.lk en_US
dc.identifier.doi 10.1109/MERCon.2018.8421955 en_US


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