Atomistic Theory of Plasmon-Induced Hot-carriers in Al Nanoparticles

Fuente: arXiv
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Autori principali: Dong, Gengyue, João, Simão, Jin, Hanwen, Lischner, Johannes
Natura: Preprint
Pubblicazione: 2025
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author Dong, Gengyue
João, Simão
Jin, Hanwen
Lischner, Johannes
author_facet Dong, Gengyue
João, Simão
Jin, Hanwen
Lischner, Johannes
contents Hot electrons and holes generated from the decay of localized surface plasmons (LSPs) in aluminum nanostructures have significant potential for applications in photocatalysis, photodetection and other optoelectronic devices. Here, we present a theoretical study of hot-carrier generation in aluminum nanospheres using a recently developed modelling approach that combines a solution of the macroscopic Maxwell equation with large-scale atomistic tight-binding simulations. Different from standard plasmonic metals, such as gold or silver, we find that the energetic distribution of hot electrons and holes in aluminium nanoparticles is almost constant for all allowed energies. Only at relatively high photon energies, a reduction of the generation rate of highly energetic holes and electrons close to the Fermi level is observed which is attributed to band structure effects suppressing interband decay channels. We also investigate the dependence of hot-carrier properties on the nanoparticle diameter and the environment dielectric constant. The insights from our study can inform experimental efforts towards highly efficient aluminum-based hot-carrier devices.
format Preprint
id arxiv_https___arxiv_org_abs_2502_16251
institution arXiv
publishDate 2025
record_format arxiv
spellingShingle Atomistic Theory of Plasmon-Induced Hot-carriers in Al Nanoparticles
Dong, Gengyue
João, Simão
Jin, Hanwen
Lischner, Johannes
Optics
Mesoscale and Nanoscale Physics
Hot electrons and holes generated from the decay of localized surface plasmons (LSPs) in aluminum nanostructures have significant potential for applications in photocatalysis, photodetection and other optoelectronic devices. Here, we present a theoretical study of hot-carrier generation in aluminum nanospheres using a recently developed modelling approach that combines a solution of the macroscopic Maxwell equation with large-scale atomistic tight-binding simulations. Different from standard plasmonic metals, such as gold or silver, we find that the energetic distribution of hot electrons and holes in aluminium nanoparticles is almost constant for all allowed energies. Only at relatively high photon energies, a reduction of the generation rate of highly energetic holes and electrons close to the Fermi level is observed which is attributed to band structure effects suppressing interband decay channels. We also investigate the dependence of hot-carrier properties on the nanoparticle diameter and the environment dielectric constant. The insights from our study can inform experimental efforts towards highly efficient aluminum-based hot-carrier devices.
title Atomistic Theory of Plasmon-Induced Hot-carriers in Al Nanoparticles
topic Optics
Mesoscale and Nanoscale Physics
url https://arxiv.org/abs/2502.16251