Hot-Carrier Generation in Plasmonic Nanoparticles: The Importance of Atomic Structure
| Autor: | Paul Erhart, Mikael Kuisma, Tuomas P. Rossi |
|---|---|
| Jazyk: | angličtina |
| Rok vydání: | 2020 |
| Předmět: |
Materials science
Dephasing Atom and Molecular Physics and Optics FOS: Physical sciences General Physics and Astronomy Nanoparticle Physics::Optics 02 engineering and technology 010402 general chemistry 01 natural sciences Atomic units Article plasmon dephasing Physics - Chemical Physics Mesoscale and Nanoscale Physics (cond-mat.mes-hall) General Materials Science Absorption (electromagnetic radiation) Plasmon atomic-scale atomic scale Chemical Physics (physics.chem-ph) Plasmonic nanoparticles Condensed Matter - Materials Science Condensed Matter - Mesoscale and Nanoscale Physics localized surface plasmon General Engineering Materials Science (cond-mat.mtrl-sci) plasmon decay 021001 nanoscience & nanotechnology Condensed Matter Physics time-dependent density-functional theory 0104 chemical sciences pintaplasmonit plasmonit time-dependent density functional theory Chemical physics Femtosecond nanohiukkaset Astrophysics::Earth and Planetary Astrophysics hot carriers 0210 nano-technology hot electrons Localized surface plasmon |
| Zdroj: | ACS Nano (1936-0851) vol.14(2020) ACS Nano |
| Popis: | Metal nanoparticles are attractive for plasmon-enhanced generation of hot carriers, which may be harnessed in photochemical reactions. In this work, we analyze the coherent femtosecond dynamics of photon absorption, plasmon formation, and subsequent hot-carrier generation through plasmon dephasing using first-principles simulations. We predict the energetic and spatial hot-carrier distributions in small metal nanoparticles and show that the distribution of hot electrons is very sensitive to the local structure. Our results show that surface sites exhibit enhanced hot-electron generation in comparison to the bulk of the nanoparticle. While the details of the distribution depend on particle size and shape, as a general trend lower-coordinated surface sites such as corners, edges, and {100} facets exhibit a higher proportion of hot electrons than higher-coordinated surface sites such as {111} facets or the core sites. The present results thereby demonstrate how hot carriers could be tailored by careful design of atomic-scale structures in nanoscale systems. 10 pages, 4 figures |
| Databáze: | OpenAIRE |
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