Journal
MATERIALS CHEMISTRY AND PHYSICS
Volume 309, Issue -, Pages -Publisher
ELSEVIER SCIENCE SA
DOI: 10.1016/j.matchemphys.2023.128327
Keywords
Perovskite solar cell; CuX; SCAPS; Density functional theory; Simulation; Optimization
Categories
Ask authors/readers for more resources
In this work, theoretical and computational quantum mechanical approaches were used to improve the efficiency of an all-inorganic perovskite solar cell (PSC). By investigating various factors such as thickness, energy bandgap, operating temperature, defect density, and doping concentration, the performance of the PSC was redesigned and optimized. Additionally, accurate optoelectronic properties of the HTL-CuX (X = I, Cl, and Br) structure were derived to further enhance the device performance. This study demonstrated the photovoltaic potential of PSC and provided a reliable way to assess its performance.
In this work, the improved efficiency of an all-inorganic perovskite solar cell (PSC) is anticipated by utilizing theoretical and computational quantum mechanical approaches, including first-principle density functional theory (DFT) and the solar cell capacitance simulator (SCAPS). In order to redesign and improve the performance of the device, the influence of thickness, energy bandgap, operating temperature, defect density and doping concentration of the perovskite layer; electron affinity of ETL; thickness and doping concentration of ETL and HTL, was investigated. For the electron affinity of 3.1 eV of ETL-ZnO; the perovskite layer's defect density of 1E+11 (1/cm3), bandgap of 2.25 eV and thickness of 2000 nm; ETL and HTL optimized thickness of 50 nm and 200 nm; and doping concentration of ETL, HTL and perovskite layer of 1E+19 (1/cm3) were found to generate the greatest performance from the PSC. In order to optimize the bandgap of CuX and further use it to improve the performance of the device, accurate optoelectronic properties of the structure HTL-CuX (X = I, Cl, and Br) were also derived using DFT. This paper details improved device performance to 25.93% with HTL-CuCl and optimized photovoltaic parameters. By maximizing the photovoltaic parameters, this discovery confirmed the photovoltaic potential of PSC and provided a trustworthy, established and reliable way to assess PSC performance by combining device modeling software with first principles DFT.
Authors
I am an author on this paper
Click your name to claim this paper and add it to your profile.
Reviews
Recommended
No Data Available