摘要
笔者利用原子与表面簇合物相互作用的5参数Morse势(5- MP)的理论方法,对氧-银(211)(410)(997)台阶体系进行了研究,并获得了全部临界点性质.通过对(211) (997)台阶面吸附的研究,表明实验上在Ag(111)平坦表面所测得的27.3meV,30 meV为反常的低频振动;对(410)台阶面的研究,推测在Ag(410)台阶缺陷表面存在三类四个氧原子吸附位,其中位于台阶底部的四重LB位是最稳定的吸附位.
The 5 - parameter Morse potential (5 - MP) of the interaction between O atom and Ag surfaces have been constructed. The adsorption and diffusion of O on Ag ( 211 ) ( 997 ) (410) high - index surface are investigated with 5 - MP in detail. The characteristics of critical points are obtained. By studying the (211), (997) stepped surface, the low - frequency vibration 27.3 mev, 30 meV are measured in the Ag ( 111 ) flat surface by experiments are unusual. According to the research of (410) Stepped Surface ,it is speculated that there are three types of four atoms of oxygen adsorption site, and the most stable adsorption site is the four - fold hollow site LB which is at the bottom of the step.
出处
《山东师范大学学报(自然科学版)》
CAS
2012年第1期85-88,共4页
Journal of Shandong Normal University(Natural Science)
基金
国家自然科学基金资助项目(31071603).
关键词
5
-
MP方法
低频振动
吸附
5 - parameter Morse potential
low - frequency vibrati
adsorption