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Due to their unique optical, electronic and catalytic properties, noble metal nanoparticles (NPs) have received considerable interest during the last two decades in fields ranging from materials science to biology to medicine [1-6]. The distinct optical characteristics of such NPs, which make them advantageous for many applications, stem from the surface plasmon resonance (SPR) effect, which has fascinated scientists for centuries. SPR results from the collective coherent oscillation of free electrons in met-als upon exposure to the oscillating electromagnetic fields of incident lights[7-9]. When the dimensions of the metal are reduced to nanometer scale, the electron oscillation is confined to the surface of the NPs. This is referred to as localized surface plasmon resonance (LSPR) and can be observed with UV-Visible spectroscopy. The wavelength at which a plasmon resonance occurs yields a strong com-bined absorption-scattering peak. In 1908, Gustav Mie explained this phenomenon theoretically through his appli-cation of the Maxwell equations to a spherical particle [10]. Furthermore, the LSPR lead to markedly increased optical absorption efficiencies of the NPs, as much as 105-6 times higher than those of photo-absorbing organic dyes [11].
The LSPR wavelengths depend on the size, shape, structure and composition of the plasmonic NPs [12-15]. These variables suggest the potential of tuning the LSPR wavelengths for optimal use in diverse applications through the variation of size, shape, structure and compo-sition of the plasmonic NPs. While Au nanospheres (NSs) exhibit plasmonic resonance wavelength in the visible re-gion, Au NPs in rod shape, silica-gold core-shell NPs (core size larger than 100 nm) and hollow Au NPs all e...

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...this work, we report a systematic investigation of the optical properties of several types of Au NPs and their hybrid ones with IO core using DDA calculation. These NPs include Au nanospheres (Au NS), Au nanorods (Au NRs), Au nanotetrahedron (Au NTH), hollow Au NSs, IO-Au core-shell NSs, IO-Au core-shell NPs with polymer gap, IO-Au core-shell NRs and IO-Au core-shell NTHs with spherical IO cores. These studies provide an in-depth un-derstanding of the effect of size, shape and structure on the optical extinction spectra of solid and hybrid core-shell NPs. New insights have been added to the classic Au NRs compared with previous studies. Dramatic effects of the polymer gap and the shape have been found on the LSPR wavelength of IO-Au core-shell NPs. Our studies would greatly facilitate the development of IO-Au core-shell NPs for medical and material applications.

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