Theoretical analysis of the relation between H2 dissociation and reflection on Pd surfaces

被引:22
作者
Díaz, C [1 ]
Martín, F
Busnengo, HF
Salin, A
机构
[1] Univ Autonoma Madrid, Fac Ciencias C9, Dept Quim, E-28049 Madrid, Spain
[2] Univ Nacl Rosario, CONICET, Inst Fis Rosario, RA-2000 Rosario, Santa Fe, Argentina
[3] Univ Nacl Rosario, Fac Ciencias Exactas Ingn & Agrimensura, RA-2000 Rosario, Santa Fe, Argentina
[4] Univ Bordeaux 1, CNRS, UMR 5803, Lab Physicochim Mol, F-33405 Talence, France
关键词
D O I
10.1063/1.1629282
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
We study the scattering of H-2 (v=0, J=0) molecules by the Pd(110) surface using classical trajectory methods. We show that the dissociative adsorption probability barely depends on incidence angle (total energy scaling) up to an impact energy of 200 meV. This is the consequence of a "loss of memory" of the initial incidence angle, mostly due to dynamic trapping, which also reflects itself in a cosinelike angular distribution of reflected molecules. Consequently, a cosinelike distribution can be the result of a subpicosecond process that involves neither energy dissipation to the surface nor transient thermal accommodation. (C) 2004 American Institute of Physics.
引用
收藏
页码:321 / 328
页数:8
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