Acta Phys. -Chim. Sin. ›› 2017, Vol. 33 ›› Issue (11): 2199-2206.doi: 10.3866/PKU.WHXB201705226

• ARTICLE • Previous Articles     Next Articles

Absorption Spectra of Azobenzene Molecules on Au Nanoparticle Surface

Jin SUN*(),Zong-Ling DING,Yuan-Qin YU,Guang LI   

  • Received:2017-03-30 Published:2017-08-25
  • Contact: Jin SUN
  • Supported by:
    the National Natural Science Foundation of China(21103001);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.

Key words: Azobenzene, Metallic nanoparticle, Plasmon, Absorption spectrum