ENHANCED DIFFRACTION OF VIBRATIONALLY EXCITED MOLECULES FROM SURFACES

被引:24
作者
DARLING, GR [1 ]
HOLLOWAY, S [1 ]
机构
[1] UNIV LIVERPOOL,DEPT CHEM,LIVERPOOL L69 3BX,ENGLAND
关键词
D O I
10.1016/0009-2614(92)85398-T
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
H-2 scattering from Cu is simulated using quantum dynamics and a 3D model potential. This incorporates motion perpendicular and parallel to the surface, and the vibration of the molecule. For a late barrier potential, considerably enhanced diffraction is observed for incident molecules in the upsilon = 1 vibrational state over those in the upsilon = 0 state. This is not found for a system with an early barrier. The results are explained by considering the topologies of vibrationally adiabatic potentials, derived from the full 3D potentials.
引用
收藏
页码:396 / 400
页数:5
相关论文
共 18 条
[1]   A SEARCH FOR VIBRATIONAL CONTRIBUTIONS TO THE ACTIVATED ADSORPTION OF H-2 ON COPPER [J].
BERGER, HF ;
LEISCH, M ;
WINKLER, A ;
RENDULIC, KD .
CHEMICAL PHYSICS LETTERS, 1990, 175 (05) :425-428
[2]   WAVE PACKET STUDY OF A LINEAR COLLISION PROBLEM [J].
BRINGER, A ;
HARRIS, J .
JOURNAL OF CHEMICAL PHYSICS, 1989, 91 (12) :7693-7704
[3]  
DARLING GR, 1991, SURF SCI, V244, pL81, DOI 10.1016/0039-6028(91)90158-O
[4]  
DARLING GR, IN PRESS
[5]   SOLUTION OF THE SCHRODINGER-EQUATION BY A SPECTRAL METHOD [J].
FEIT, MD ;
FLECK, JA ;
STEIGER, A .
JOURNAL OF COMPUTATIONAL PHYSICS, 1982, 47 (03) :412-433
[6]   THE INFLUENCE OF POTENTIAL-ENERGY SURFACE TOPOLOGIES ON THE DISSOCIATION OF H-2 [J].
HALSTEAD, D ;
HOLLOWAY, S .
JOURNAL OF CHEMICAL PHYSICS, 1990, 93 (04) :2859-2870
[7]   QUANTUM-MECHANICAL SCATTERING OF H-2 FROM METAL-SURFACES - DIFFRACTION AND DISSOCIATIVE ADSORPTION [J].
HALSTEAD, D ;
HOLLOWAY, S .
JOURNAL OF CHEMICAL PHYSICS, 1988, 88 (11) :7197-7208
[8]   RECOIL EFFECTS IN SURFACE DISSOCIATION [J].
HAND, M ;
HARRIS, J .
JOURNAL OF CHEMICAL PHYSICS, 1990, 92 (12) :7610-7617
[9]   THE SCATTERING OF H-2 AND D2 FROM CU(100) - VIBRATIONALLY ASSISTED DISSOCIATIVE ADSORPTION [J].
HAND, M ;
HOLLOWAY, S .
SURFACE SCIENCE, 1989, 211 (1-3) :940-947
[10]   A THEORETICAL-STUDY OF THE DISSOCIATION OF H-2/CU [J].
HAND, MR ;
HOLLOWAY, S .
JOURNAL OF CHEMICAL PHYSICS, 1989, 91 (11) :7209-7219