Photosensitization of fucoxanthin-graphene complexes: A computational approach

Photosensitization of fucoxanthin-graphene (FX-GR) complexes were investigated in this work for detecting their roles of irradiating energy absorptions. To this aim, density functional theory (DFT computational approach as employed to obtain the optimized structures and their corresponding molecular orbital features. Both of original linear models of FX and its broken models, LFX and RFX, were investigated for attaching to a brigading GR molecular model. In this regard, the models were optimized to obtain the minimized energy configurations, in which for double-attachment of FG to the GR coroner atoms, Cis and Trans configurations were obtained for the FX-GR complex models. Based on the obtained achievements of molecular orbitals photosensitization features, the models were varied by the absorbed wavelengths making them suitable for various applications. In this regard, both of shorter and longer irradiated wavelengths were applicable for the purpose.