High performance of mixed halide perovskite solar cells: role of halogen atom and plasmonic nanoparticles on the ideal current density of cell

TL;DR

This study uses density functional theory and simulations to show that adding bromine to perovskite structures and incorporating platinum nanoparticles can significantly enhance the current density and efficiency of solar cells.

Contribution

It demonstrates how halogen substitution and plasmonic nanoparticles improve perovskite solar cell performance through structural and optical modifications.

Findings

Adding bromine increases the bandgap and reduces lattice constants.

Optimum platinum nanoparticle arrays can boost current density by up to 22%.

Structural and optical property changes suggest pathways for higher efficiency solar cells.

Abstract

To be able to increase the efficiency of perovskite solar cells which is one of the most substantial challenges ahead in photovoltaic industry, the structural and optical properties of perovskite CH3NH3PbI3-xBrx for values x=1-3 have been studied employing density functional theory (DFT). Using the optical constants extracted from DFT calculations, the amount of light reflectance and ideal current density of a simulated single-junction perovskite solar cell have been investigated. The results of DFT calculations indicate that adding halogen bromide to CH3NH3PbI3 compound causes the relocation of energy bands in band structure which its consequence is increasing the bandgap. In addition, the effect of increasing Br in this structure can be seen as a reduction in lattice constant, refractive index, extinction and absorption coefficient. As well, results of the simulation suggest a significant current density enhancement as much as 22% can be achieved by an optimized array of Platinum nanoparticles that is remarkable. This plan is able to be a prelude for accomplishment of solar cells with higher energy conversion efficiency.