Theoretical Comparison of Optical Properties of Near-Infrared Colloidal Plasmonic Nanoparticles

We study optical properties of near-infrared absorbing colloidal plasmonic nanostructures that are of interest for biomedical theranostic applications: SiO₂@Au core-shell particles, Au nanocages and Au nanorods. Full-wave field analysis is used to compare the absorption spectra and field enhancement of these structures as a function of their dimensions and orientation with respect to the incident field polarization. Absorption cross-sections of structures with the same volume and LSPR wavelength are compared to quantify differential performance for imaging, sensing and photothermal applications. The analysis shows that while the LSPR of each structure can be tuned to the NIR, particles with a high degree of rotational symmetry, i.e. the SiO₂@Au and nanocage particles, provide superior performance for photothermal applications because their absorption is less sensitive to their orientation, which is random in colloidal applications. The analysis also demonstrates that Au nanocages are advantaged with respect to other structures for imaging, sensing and drug delivery applications as they support abundant E field hot spots along their surface and within their open interior. The modeling approach presented here broadly applies to dilute colloidal plasmonic nanomaterials of arbitrary shapes, sizes and material constituents and is well suited for the rational design of novel plasmon-assisted theranostic applications.