Theoretical Studies on Vibrationally Assisted Adsorption of H_(2)on Cu(100)Surface  

作　　者：XIE Jianjun JIANG Ping ZHANG Kaiming 

机构地区：[1]Fudan-T.D.Lee Physics Laboratory,Fudan University,Shanghai 200433 [2]State Key Laboratory of Applied Surface Physics,Fudan University,Shanghai 200433

出　　处：《Chinese Physics Letters》1995年第10期637-640,共4页中国物理快报（英文版）

摘　　要：Trajectory simulations are carried out for vibrationally assisted adsorption of H_(2)on Cu(100)surface.The potential-energy surfaces for H_(2)approaching the copper surface in any molecular orientation are obtained by using the embedded-atom method.It is clearly shown that the vibrational energy of incident H_(2)greatly promotes the dissociation by assisting H_(2)to surmount the activation barrier at the reaction zone.The dependence of initial sticking coefficient S0 for H_(2)activated adsorption on Cu(100)surface on the normal incident translational energy EN has been calculated.The different contributions from H_(2)(v=0)and H_(2)(vn=1)to the sticking probability of H_(2)molecular beam adsorption on Cu(100)are investigated.The results are in well agreement with the experimental observations and other theoretical calculations.

关 键 词：surface. method. ADSORPTION 

分 类 号：O64[理学—物理化学]