Accelerated design of gold nanoparticles with enhanced plasmonic performance [Dataset]

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 electrody...

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Detalles Bibliográficos
Autores: Montaño-Priede, José Luis, Anish, Rao, Sánchez-Iglesias, Ana, Grzelczak, Marek
Tipo de recurso: conjunto de datos
Fecha de publicación:2025
País:España
Institución:Consejo Superior de Investigaciones Científicas (CSIC)
Repositorio:DIGITAL.CSIC. Repositorio Institucional del CSIC
OAI Identifier:oai:digital.csic.es:10261/392087
Acceso en línea:http://hdl.handle.net/10261/392087
Access Level:acceso abierto
Descripción
Sumario: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 optimal 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.