Multiscale theoretical modeling of plasmonic sensing of hydrogen uptake in palladium nanodisks

M. Ameen Poyli, Vyacheslav Mikhaylovich Silkin, I. P. Chernov, P. M. Echenique, R. Díez Muiño, J. Aizpurua

Research output: Contribution to journalArticlepeer-review

38 Citations (Scopus)


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 α and β 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.

Original languageEnglish
Pages (from-to)2556-2561
Number of pages6
JournalJournal of Physical Chemistry Letters
Issue number18
Publication statusPublished - 20 Sep 2012


  • Hard Matter
  • Optical Materials
  • Plasmonics

ASJC Scopus subject areas

  • Materials Science(all)

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