Citation: SUN Jin, DING Zong-Ling, YU Yuan-Qin, LI Guang. Absorption Spectra of Azobenzene Molecules on Au Nanoparticle Surface[J]. Acta Physico-Chimica Sinica, ;2017, 33(11): 2199-2206. doi: 10.3866/PKU.WHXB201705226 shu

Absorption Spectra of Azobenzene Molecules on Au Nanoparticle Surface

School of Physics and Materials Science, Anhui University, Hefei 230601, P. R. China

Received Date: 30 March 2017
Revised Date: 12 May 2017

Fund Project: The project was supported by the National Natural Science Foundation of China (21103001) and Natural science Research Project of Anhui Higher Education, China (KJ2017A033).

In this paper, a real-time time-dependent density functional theory (TDDFT) coupled with the classical electrodynamics finite difference time domain (FDTD) technique is employed to investigate the optical properties of hybrid systems composed of gold nanoparticles (NPs) and the azobenzene adsorbate. The results demonstrate that the molecular absorption spectra over the entire energy range can be enhanced by localized surface plasmon resonance (LSPR) of Au NPs. However, the electronic coupling between the azobenzene and Au nanoparticles influences the energy and intensity of some special absorption peaks, leading to quite different spectral profiles of the hybrid complexes compared to those of isolated molecules or sole NPs. The plasmonic enhancement is also dependent on the NP-molecule separation distance and the geometrical parameters of NPs.
- Azobenzene,
- Metallic nanoparticle,
- Plasmon,
- Absorption spectrum
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