Abstract
This study presents a detailed investigation into the photothermal therapy (PTT) performance of single heterogeneous gold (Au) and iron (III) oxide (Fe3O4) nanoparticles, as well as heterogeneous Au@Fe3O4 and Fe3O4@Au core-shell nanoparticles, using PyMieLab and COMSOL Multiphysics simulations. Through a comprehensive parametric analysis, we elucidate the impact of core-shell configurations on the photothermal conversion efficiency and heat generation of these nanoparticles. Our results reveal that Fe3O4@Au core-shell nanoparticles with a core radius of 100 nm and shell thickness of 70 nm exhibit superior heat generation efficiency compared to Au@Fe3O4 and their single-component counterparts, with Fe3O4 demonstrating higher photothermal efficiency than Au. The enhanced thermal response observed in the core-shell structures, particularly Fe3O4@Au, is attributed to the synergistic interaction between the core and shell materials, optimizing light absorption and thermal conversion.