Plasmonic nanoparticles
(PNPs) have emerged as promising
catalysts
for future energy generation technologies due to their ability to
induce high-energy hot electron generation through nonradiative plasmon
decay. This phenomenon is particularly pronounced by the huge field
gradients at plasmonic hot spots and the excitation of dark plasmon
modes from Fano interferences. Despite the growing interest in the
field, the literature exploring Fano resonances for plasmon-based
photocatalysts remains sparse. In this study, we investigate the potential
for hot carrier generation of plasmonic systems using silver nanocube
(AgNC) dimers with varying rounding degrees as model platforms, known
to exhibit Fano-like resonances. The simulations were conducted using
the boundary element method (BEM) through the MNPBEM17 toolbox. Additionally,
a coupled oscillator model was employed to obtain supplementary evidence
regarding the presence and the origin of Fano resonances in these
systems. Our computational findings provide a direct correlation between
Fano resonances and hot carrier generation, elucidated through the
observed near-field enhancement at the particle surface within the
Fano spectral window. Notably, our results indicate an increased effect
for Fano resonances involving higher-order plasmon modes. To the best
of our knowledge, this work represents the first comprehensive study
of this kind. Overall, our work provides a better understanding of
the interplay between Fano resonances and near-field effects in hot
electron generation, thereby contributing to the rational design of
highly efficient energy conversion technologies.