期刊
PHYSICAL REVIEW LETTERS
卷 103, 期 17, 页码 -出版社
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevLett.103.176102
关键词
-
资金
- German Science Foundation [PE883/1-2]
- Leibniz Rechenzentrum Garching
The interaction of water with Fe3O4(001) is studied by density functional theory calculations including an on-site Coulomb term. For isolated molecules, dissociative adsorption is strongly promoted at surface defect sites, while at higher coverages a hydrogen-bonded network forms with alternating molecular and dissociated species. This mixed adsorption mode and a suppression of the (root 2 X root 2)RL45 degrees reconstruction are confirmed by a quantitative low energy electron diffraction analysis. Adsorbate induced electron transfer processes add a new dimension towards understanding the catalytic activity of magnetite(001).
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