A Theoretical Investigation about Photoswitching of Azobenzene Adsorbed on Ag Nanoparticles

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

Automated summary

The optical properties of hybrid systems composed of silver nanoparticles and azobenzene molecules were studied using a combination of RT-TDDFT and FDTD techniques. The study found that the plasmon resonance of silver nanoparticles can greatly enhance the light absorption of the molecules. Additionally, the resonance peak position and the absorption enhancement ratio also influence the shape of the absorption spectra.