Theoretical optical absorption and photoelectron spectra of small endohedral gold clusters

Research output: Journal Publications and Reviews (RGC: 21, 22, 62)21_Publication in refereed journalpeer-review

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Original languageEnglish
Pages (from-to)359-363
Journal / PublicationJournal of Computational and Theoretical Nanoscience
Issue number2
Publication statusPublished - Feb 2009
Externally publishedYes


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. Copyright © 2009 American Scientific Publishers.

Research Area(s)

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

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