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 ${\rm SiO}_2$ 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.

中文翻译：

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FTDT模拟的等离激元领域的核磁共振壳金基纳米颗粒。

本文描述了在核-壳金基球形金纳米颗粒（NPs）表面附近的电磁场畸变的时域有限差分（FDTD）数学建模的结果。NP通过两个不同厚度的外壳一致地功能化：水外壳（作为药物的模型物质）和$ {\ rm SiO} _2 $外壳，作为封装层。将计算出的场值转换为电磁场增强系数和表面增强拉曼散射（SERS）强度。已经显示了用于评估最佳场放大和光散射参数的核壳NP建模理论方法的前景。提出的方法可以用作胶体核-壳治疗药物NPs的受控合成方法的基础。