A test of empirical correction to site preference: DFT calculations for CO adsorption on Co(0 0 0 1) surface
β Scribed by Shu-Hong Ma; Xiao-Tao Zu; Zhao-Yong Jiao; Xian-Zhou Zhang
- Book ID
- 108285856
- Publisher
- Elsevier Science
- Year
- 2008
- Tongue
- English
- Weight
- 166 KB
- Volume
- 864
- Category
- Article
- ISSN
- 0166-1280
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Effect of C, N or O adsorption on ferromagnetic Co(0 0 0 1) surface on evolution of important electronic features is studied within the local-density functional scheme. At high oxygen or carbon coverage, the spin asymmetry of Co(3d) states at the Fermi level can be reversed; for oxygen, however, the
Presented are initial, S 0 , and coverage dependent, SΓ°HΓ, adsorption probability measurements, respectively, of CO on the rutile (1 β’ 1)-TiO 2 (1 1 0) surface obtained along both high symmetry azimuth directions (i.e. along the Β½1 1 1 0 and [0 0 1] azimuth) and parametric in the impact energy, E i