Study on the Thermodynamic Stability of the Organic Dielectrics in the Photovoltaic Cell

Abstract

This paper studies diverse dielectric particles in the organic photovoltaic cell for their thermodynamic efficiencies. Recently, conductive organic polymers have been used for dielectrics, as the charge characteristics are important. This research employs molecular editing programs based on DFT to find stereo-chemical and optical properties of various fullerene derivatives.Optimized geometry energy levels and the electron distribution contour of solar cells were obtained. The Avogadro software is an open-source molecular editing program equipped with an auto-optimization feature, which determines the theoretical values of a certain structure’s atomic properties. Variables were quantified by their optimized energies, dipole moments, and electrostatic maps, respectively, after being modeled in the program. This software allows users to build virtually any nanoparticle and optimize its geometry according to various force field options.