摘要
利用推广的LEPS势分析H_2在Li(100)面的吸附、迁移、旋转等行为.给出的这种作用是短程相互作用,它因吸附位、吸附方式不同而不同,使H_2分别呈稳定分子吸附态、亚稳分子吸附态.这些吸附态通过H_2沿表面迁移而相互转换;通过H_2绕质心的转动而进行立式与卧式吸附方式之间的转变.并指出亚稳分子吸附态具有变型小、属弱化学吸附,迁移性强,不易解离成原子等特性.
The adsorption, transference, rotatioa and other behavior of H_2 on a (100)face of lithium were analyzed by using the extended LEPS fun-ction.The results showed that the said interaetion was of short-range,which varied with the sites and ways of the adsorption.This enabled H_2 to exist in stable or sub-stable precursor state molecular adsorption on the surface of lithium.And these adsorption States were transformed into each other by means of H_2's transferring on the Li(100) surface.The transformation between vertical and horizontal adsorptions was made possible by H_2's rotating around the center of mass. The results also revealed that the sub-stable precursor state was a weak chemiso-rption and could be marked by less-deforming, strong transferring and being inert to dissociate into atoms.
出处
《青岛化工学院学报（自然科学版）》
1992年第1期36-41,共6页
Journal of Qingdao Institute of Chemical Technology(Natural Science Edition)
基金
国家自然科学基金
关键词
氢
催化
吸附态
活化分析
旋转势
precursor state adsorption
transference on Li (100) surface
rotation around center of mass
