原子与分子物理学报2013，Vol.30Issue(1)：155-160,6.DOI:10.3969/j.issn.1000-0364.2013.01.025
氧原子在不同过渡金属表面吸附性质的比较研究
A comparison study for the chemisorption of oxygen on different metal surfaces
摘要
Abstract
The chemisorption of oxygen on Ir(100) is studied using density functional theory calculations varying coverages from 0. 11 ML to 1. 0 ML. The calculated results are compared with those of similar systems. It is shown that the bond strength of O - M weakens with the increasing coverage and the strength is closely related to the distribution of different metal surface d-band states.关键词
O原子/过渡金属表面/化学吸附/第一性原理计算Key words
oxygen/ transition metal surface/ chemisorption/ first-principles calculation分类
数理科学引用本文复制引用
焦照勇,郭永亮,马淑红,张现周..氧原子在不同过渡金属表面吸附性质的比较研究[J].原子与分子物理学报,2013,30(1):155-160,6.基金项目
国家自然科学基金(11047026) （11047026）
河南省教育厅自然科学研究计划项目(2011A140013) （2011A140013）
河南师范大学青年骨干教师基金 （）
