FTDT simulations of local plasmonic fields for theranostic core-shell gold-based nanoparticles.

The paper describes the results of finite-difference time-domain (FDTD) mathematical modeling of electromagnetic fields distortion near the surfaces of core-shell gold-based spherical gold nanoparticles (NPs). NPs were consistently functionalized by two shells of different thickness: a water shell, as a model substance for a drug, and an shell, as a capsuling layer. The calculated field values were converted into the electromagnetic field enhancement coefficient and the surface-enhanced Raman scattering (SERS) intensity. Prospects of the theoretical approach for core-shell NPs modeling to evaluate optimal field amplification and light-scattering parameters have been shown. The presented approach could be applied as a basis for performing methods of controlled synthesis for colloidal core-shell theranostic NPs.