期刊
PHYSICAL REVIEW B
卷 82, 期 4, 页码 -出版社
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevB.82.045414
关键词
-
资金
- Office of Basic Energy Science of the U.S. Department of Energy [DOE-BES DEFG0207ER15919]
The adsorption energies of simple atomic adsorbates are coverage dependent. We use density-functional theory to show that the coverage dependence is due to an adsorbate-induced modification of the surface d-band structure. We developed a simple model for predicting the d-band widths of clean and adsorbate-covered metallic surfaces using a tight-binding formalism. The new model can be used in conjunction with the d-band adsorption model to estimate adsorption energies as a function of coverage.
作者
我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。
推荐
暂无数据