Journal
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
Volume 3, Issue 18, Pages 2556-2561Publisher
AMER CHEMICAL SOC
DOI: 10.1021/jz3007723
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Funding
- Basque Departamento de Educacion, Universidades e Investigacion [IT-366-07]
- Spanish Ministerio de Ciencia e Innovacion [FIS2010-19609-C02-00]
- Dept. of Industry of the Basque government
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We study theoretically the optical properties of palladium nanodisks during hydrogen uptake. A combination of an ab initio quantum mechanical description of the Pd-H dielectric properties and a full electrodynamical study of light scattering in the H-modified Pd nanodisks allows us to trace the shift of the localized surface plasmon as a function of the H concentration in the Pd-H disk. We follow the evolution of the plasmon peak energy for different admixtures of the Pd-H alpha and beta phases and interpret quantitatively the experimental sensitivity of the plasmon energy shift to the structural inhomogeneity upon H absorption. Our multiscale theoretical framework provides a solid background for plasmonic sensing of structural domains, as well as for identifying H saturation conditions in metal hydride systems.
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