Vibrations of O on stepped Pt(111)

被引：37
|
作者：
Feibelman, PJ
Hafner, J
Kresse, G
机构：
[1] Sandia Natl Labs, Albuquerque, NM 87185 USA
[2] Vienna Tech Univ, Inst Theoret Phys, A-1040 Vienna, Austria
[3] Vienna Tech Univ, Ctr Compuat Mat Sci, A-1040 Vienna, Austria
来源：
PHYSICAL REVIEW B | 1998年 / 58卷 / 04期
关键词：
D O I：
10.1103/PhysRevB.58.2179
中图分类号：
T [工业技术];
学科分类号：
08 ;
摘要：
First-principles calculations identify edge-bridging O adatoms as the source of the 560 cm(-1) vibrational loss observed for step-adsorbed O on Pt(533), and by implication, of the scalloped appearance, in scanning tunneling microscopy of O-saturated A-type island edges on Pt(111). Further calculations for O/Pt(221) provide an opportunity to confirm that O adatoms prefer upper-terrace fee hollows at a B-type step.
引用
收藏
页码：2179 / 2184
页数：6
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