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. Copyright © 2009 American Scientific Publishers.
| Original language | English |
|---|---|
| Pages (from-to) | 359-363 |
| Journal | Journal of Computational and Theoretical Nanoscience |
| Volume | 6 |
| Issue number | 2 |
| DOIs | |
| Publication status | Published - Feb 2009 |
| Externally published | Yes |
Bibliographical note
Publication details (e.g. title, author(s), publication statuses and dates) are captured on an “AS IS” and “AS AVAILABLE” basis at the time of record harvesting from the data source. Suggestions for further amendments or supplementary information can be sent to [email protected].Research Keywords
- Density functional theory
- Endohedral
- Gold cluster
- Optical absorption
- Photo-electron spectrum
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