Product Metrics for the Manufacturability of Single-Crystal Gold Nanorods via Reaction Engineering

Colloidal gold nanorods (AuNRs) are integral to a diverse array of technologies, ranging from plasmonic imaging, therapeutics, and sensors to large-area coatings, catalysts, filters, and optical attenuators. Different lab-scale strategies are available to fabricate AuNRs with a broad range of physiochemical properties; however, this is achieved at the cost of synthetic robustness and scalability, which limit broad adoption in these technologies. To address this, Product Metrics (Structural Precision, Shape Yield, and Reagent Utilization), measurable with UV-vis-NIR spectroscopy, are defined to evaluate the efficiency of AuNR production. The dependency of these metrics on reaction formulation (reagent concentrations, pH, and T) is established and used to develop a two-step method based on optimizing symmetry breaking of seed particles, followed by the controlled extension of AuNR length and volume. Reagent concentrations and their relative molar ratios with respect to HAuCl4 are adjusted for each step to optimize these adversarial processes. Based on these correlations, we successfully demonstrate the production of highly concentrated AuNRs with targeted volume and aspect ratio while reducing particle impurities and shape dispersity to less than 4 and 10%, respectively, by employing a rationalized formulation that maximizes both product quality and Reagent Utilization. This results in a product density of 1.6 mg/mL, which is 20 times higher than that of conventional literature methods, with commensurate reduction in environmental waste products.