Department of Chemistry

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Subject: search.filters.subject.Gold bipyramids

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    Size effect on photothermal heating ability of gold bipyramids
    (Wiley, 2025-07) Rao, Anish
    Gold nanoparticles (AuNPs) exhibit photothermal properties that are fundamental to biomedical and catalytic fields. However, the relationship between photothermal heating efficiency and nanoparticle characteristics often features a non-intuitive behavior, being dependent on experimental parameters, sample scale (microscopic versus macroscopic), and material phase (solid or liquid). Using gold bipyramids (AuBPs) as a model system and employing a combination of experimental and computational approaches, photothermal heating is investigated as a function of nanoparticle dimensions while maintaining comparable optical properties. The computational analysis revealed an inverse correlation between the achievable maximum temperature at the single-particle level versus multi-particle systems. At the macroscopic scale, it is observed that photothermal heating efficiency follows an inverse proportionality with nanoparticle volume, with notable deviations occurring at reduced nanoparticle sizes. This deviation suggests the emergence of additional energy relaxation pathways. To outline practical implications of these findings, processable agarose films containing AuBPs capable of enhancing the performance of light-powered Stirling engine are developed.
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    Accelerated design of gold nanoparticles with enhanced plasmonic performance
    (AAAS, 2025-08) Rao, Anish
    Finding the optimal dimensions of metal nanoparticles to maximize their plasmonic performance in targeted applications is a complex and time-consuming process that typically requires a trial-and-error approach. Here, we propose a universal pipeline that integrates Bayesian optimization with electrodynamics simulations to find dimensions of gold bipyramids with superior plasmonic performance in photothermal efficiency, enhancement of Raman scattering and photoluminescence, strong coupling between plasmon and exciton, and aggregation-induced color difference. Our workflow is a straightforward tool for plasmonic nanoparticle design, setting their optimal dimensions for targeted applications.