A Theoretical Investigation about Photoswitching of Azobenzene Adsorbed on Ag Nanoparticles

The optical properties of hybrid systems composed silver nanoparticles (NPs) and azobenzene molecules were systematically investigated by combining the real-time time-dependent density functional theory (RT-TDDFT) approach with classical electrodynamics finite difference time domain (FDTD) technique for solution Maxwell’s equations. In order to reflect chemical interaction between metal more exactly, except adsorbed molecules, a Ag cluster separated from NP was also dealt, using RT-TDDFT. We studied different factors affecting surface-enhanced absorption spectra. It found that electric field amplified plasmon resonance NPs can have an overall enhancement molecular light throughout whole energy range. electron excitation results in larger percentage spectrum closer peak is. ratio is largest. plasmon–exciton coupling isolate isomers influence line shape dipole electronic transfer change spectroscopy location peak. Physical lead photoswitching these together.