| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5382799 | Chemical Physics Letters | 2012 | 5 Pages |
Abstract
⺠We examine the structural and electronic characteristics of an anionic golden cage with a nitrogen adatom. ⺠The triangular and bridge sites are preferred for exohedral nitrogen adsorption. ⺠To obtain the activation energy barriers, the minimum-energy transition paths are searched. ⺠For the infrared spectra, the exohedral doping causes larger intensities than the endohedral doping at higher frequencies.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Gunn Kim, Seoung-Hun Kang, Chan-young Lim, Young-Kyun Kwon,