Influence of Geometrical Parameters on the Optical Activity of Chiral Gold Nanorods

Abstract

Abstract Chiral metal nanoparticles (NPs) offer a powerful means of inducing and harnessing optical activity. However, due to the incomplete knowledge of the underlying growth mechanisms, there is still limited control over the achievable morphological detail and, consequently, over the resulting optical activity. Therefore, theoretical modeling is needed to guide experimental development toward optimizing the plasmonic chiroptical response. Toward filling this gap, herein an extensive parametric analysis is presented, via computer‐aided‐design (CAD) models and full‐wave electrodynamic simulations, which aims at systematically analyzing the influence of structural changes on the plasmonic circular dichroism (CD) spectra of rod‐shaped gold NPs comprising helical indentations on achiral nanorod cores. From this analysis, interesting patterns in the plasmon‐mediated resonant behavior are identified and cause–effect relationships are drawn that may serve as a go‐to recipe for the understanding and fabrication of these NPs and their applications, such as spectroscopic (bio)detection including CD spectral shifts and surface‐enhanced Raman optical activity.