Theoretical optical absorption and photoelectron spectra of small endohedral gold clusters

Chad Killblane, Yi Gao, Xiao C Zeng

Research output: Contribution to journalArticle

1 Citation (Scopus)

Abstract

Tunable nano-materials are becoming increasingly important in both theoretical and experimental studies, and as such it is important to have a better understanding of their properties. To that end we have carried out a density functional study of a series of transition metal-doped endohedral gold clusters. We have predicted a variety of properties for these clusters, as well as the optical and photo-electron spectra for each.

Original languageEnglish (US)
Pages (from-to)359-363
Number of pages5
JournalJournal of Computational and Theoretical Nanoscience
Volume6
Issue number2
DOIs
StatePublished - Feb 1 2009

Fingerprint

Optical Absorption
Photoelectrons
Gold
Light absorption
Transition metals
optical spectrum
photoelectrons
optical absorption
gold
absorption spectra
Nanomaterials
Electrons
Density Functional
Experimental Study
Metals
transition metals
Electron
Series
electrons

Keywords

  • Density functional theory
  • Endohedral
  • Gold cluster
  • Optical absorption
  • Photo-electron spectrum

ASJC Scopus subject areas

  • Chemistry(all)
  • Materials Science(all)
  • Condensed Matter Physics
  • Computational Mathematics
  • Electrical and Electronic Engineering

Cite this

Theoretical optical absorption and photoelectron spectra of small endohedral gold clusters. / Killblane, Chad; Gao, Yi; Zeng, Xiao C.

In: Journal of Computational and Theoretical Nanoscience, Vol. 6, No. 2, 01.02.2009, p. 359-363.

Research output: Contribution to journalArticle

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