Title of article
CO adsorption on magnetic Co(0001) surface: A study of density functional theory
Author/Authors
Ma، نويسنده , , Shu-Hong and Zu، نويسنده , , Xiao-Tao and Jiao، نويسنده , , Zhao-Yong، نويسنده ,
Issue Information
روزنامه با شماره پیاپی سال 2008
Pages
5
From page
152
To page
156
Abstract
CO adsorption on a Co(0001) surface has been studied within ab initio density functional theory (DFT). As found experimentally, calculations confirm that CO adsorption on atop is the most favorable site at a CO coverage of 0.33 ML. The geometrical structure, vibrational and electronic structural properties are discussed in detail. Moreover, we find that the CO on atop quenches the magnetization of the substrate surface layer most significantly.
Keywords
A. Metal , D. Electronic states (localized) , A. Surfaces and interfaces
Journal title
Solid State Communications
Serial Year
2008
Journal title
Solid State Communications
Record number
1764332
Link To Document