The article describes the results of finite-difference time-domain (FDTD) mathematical modeling of electric field strength distribution near the gold laser-induced periodic surface structures (LIPSS). Both theoretical and experimental results have been described for two fabricated morphologies: round «hill-like» and grating structures. The structures were fabricated by using a femtosecond Yb-fiber laser with a wavelength of λ=1032 nm, pulse duration τ=280 fs, and repetition rate υ=25 kHz. Morphological properties of the surfaces have been investigated by means of scanning electron microscopy (SEM). The plasmonic activity was analyzed by means of the surface-enhanced Raman spectroscopy (SERS) technique. FDTD-calculated electric field values were converted into the electromagnetic field enhancement coefficient and the theoretical SERS intensity. The prospects of the theoretical approach for LIPSS to evaluate optimal field amplification and light scattering parameters has been shown. The presented approach could be applied as a basis for performing the methods of controlled synthesis for LIPPS.

The article describes the results of finite-difference time-domain (FDTD) mathematical modeling of electromagnetic fields distortion near the surfaces of two transition metals: rhodium (Rh) and platinum (Pt) on glass (SiO2) substrates. Results were compared with calculated optical properties of classical SERS generating metals (Au and Ag). We have performed FDTD-based theoretical calculations for UV SERS-active nanoparticles (NPs) and structures based on hemispheres of Rh and Pt and planar surfaces, consisting of single NPs with varied gaps between them. The results have been compared with gold stars, silver spheres and hexagons. The prospects of the theoretical approach for single NPs and planar surfaces modeling to evaluate optimal field amplification and light scattering parameters have been shown. The presented approach could be applied as a basis for performing the methods of controlled synthesis for LPSR tunable colloidal and planar metal-based biocompatible optical sensors for UV and deep-UV plasmonics. The difference between UV-plasmonic NPs and plasmonics in a visible range has been evaluated.

The article describes the results of Finite-Difference Time-Domain (FDTD) mathematical modeling of electromagnetic field parameters near the surfaces of core–shell gold-based nanorods in the Au@SiO2 system. Three excitation linewidths (λ = 532, 632.8, and 785 nm) were used for theoretical experiments. Electric field parameters for Au nanorods, Au@SiO2 nanorods, and hollow SiO2 shells have been calculated and evaluated. The correlations between electric field calculated parameters with nanorod morphology and shell size parameters have been clarified. The optical properties of nanoobjects have been simulated and discussed. The highest maximum calculated value of the electric field tension was E = 7.34 V/m. The enhancement coefficient was |E/E0|4 = 3.15 × 107 and was obtained on a rod with a SiO2 shell with dimensional parameters of height 70 nm, rod width 20 nm, and shell thickness 20 nm. As a result, a flexible simulation algorithm has been developed for the simulation of electric field parameters in each component of the Au@SiO2 system. The developed simulation algorithm will be applicable in the future for any other calculations of optical parameters in any similar component of the core–shell system.

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 S i O 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.

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