AB Initio Analysis of Lead Iodide Perovskite Materials for Photovoltaic Applications
Faculty Mentor(s) Name(s)
Hasitha Mahabaduge
Abstract
The recent success of Perovskite crystal structures in the scientific world has led to an exponential growth in engineering applications and research. Methylammonium Lead Iodide Perovskites () has emerged as a promising candidate for photovoltaic applications. Ab Initio computations are used to compute the properties of the without the input of experimental data, allowing for continuous and cost-effective change in parameters of interest. The purpose of this paper is to quantitatively analyze data acquired from simulations. We optimized the structure of solar cells before the prototyping and testing stages of the fabrication process. The open-source application, Avogadro, was used to create the base crystal structure and to simulate their properties which are utilized in other simulations. Methods outlined in this paper have been applied to other materials like perovskites or other substances.
Start Date
27-3-2024 9:00 AM
End Date
27-3-2024 9:50 AM
Location
Magnolia Ballroom
AB Initio Analysis of Lead Iodide Perovskite Materials for Photovoltaic Applications
Magnolia Ballroom
The recent success of Perovskite crystal structures in the scientific world has led to an exponential growth in engineering applications and research. Methylammonium Lead Iodide Perovskites () has emerged as a promising candidate for photovoltaic applications. Ab Initio computations are used to compute the properties of the without the input of experimental data, allowing for continuous and cost-effective change in parameters of interest. The purpose of this paper is to quantitatively analyze data acquired from simulations. We optimized the structure of solar cells before the prototyping and testing stages of the fabrication process. The open-source application, Avogadro, was used to create the base crystal structure and to simulate their properties which are utilized in other simulations. Methods outlined in this paper have been applied to other materials like perovskites or other substances.