氧原子在Pt(s)-[n(111)×(100)]型台阶面上的吸附和振动

Adsorption and Vibration of O on Pt(s) [n(111)×(100)] Surfaces

应用原子和表面簇合物相互作用的5-参数Morse势(简称5-MP)方法系统地研究了氧-铂台阶面体系.理论结果表明:在Pt(s)-犤n(111)×(100)犦型台阶面上,氧原子吸附在台阶下的四重位,对应稳定吸附态β2;平台上靠近四重位的三重吸附态被湮灭,其它三重位对应吸附态β1;而且平台的长度对四重吸附态有影响.

Oxygen adsorbed on Pt stepped surfaces has been studied by means of the 5 parameter morse potential(5 MP) of interaction between an adatom and metal surface cluster .The theoretical calculated results about O/Pt(s) [n(111)×(100)] systems draw some conclusions. The four fold site behind a step that an oxygen atom binds in corresponds to the most stable state named β2 state. And the three fold site near the four fold site at a (111) terrace is annihilated, then the other three fold sites correspond to adsorption states named β1 state. In addition the length of the (111) terrace has effect on the four fold state.