A study of silicon and germanium-based molecules in terms of solar cell devices performance

Photovoltaic energy sources are increasingly in demand due to the cost of petroleum fuels and concerns about carbon emissions. For this reason, it is important determine photovoltaic properties compounds that thought be suitable for these sources. Here, 1,1,2,3,4,5-Hexaphenyl-1H-silole (HPS) 1,1,2,3,4,5-Hexaphenyl-1H-germole (HPG) have excellent properties, electronic charge transport were investigated experimentally theoretically. The total energies, absorption spectra, Fermi (Efl) work function (φ), maximum open circuit voltage (VOC), reorganization energies (λe λh), frontier molecular orbital (HOMO LUMO), ionization potentials (IPs) electron affinities (EAs), effective transfer integrals (Ve Vh), rates (We Wh), electrostatic potential (MEP) surface analysis Natural Bond Orbital (NBO) determined suitability results solar cell devices was interpreted detail. absorbance spectra HPS HPG examined compared theoretical results. It can concluded would contribute application areas more cells with properties.