Eley-Rideal reactions between H atoms on metal and graphite surfaces: The variation of reactivity with substrate

被引:114
作者
Jackson, B [1 ]
Lemoine, D
机构
[1] Univ Massachusetts, Dept Chem, Amherst, MA 01003 USA
[2] Univ Lille 1, Ctr Etud & Rech Lasers & Applicat, UMR CNRS 8523, Lab Phys Lasers Atomes & Mol, F-59655 Villeneuve Dascq, France
关键词
D O I
10.1063/1.1328041
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
Results are presented for the reaction of gas-phase H atoms with H atoms adsorbed onto a variety of substrates. Time-dependent quantum methods are used to compute reaction cross sections and product H-2 rotational and vibrational distributions for a large number of model potential energy surfaces. The potentials which model reactions on metals exhibit a wide range of reactivity. In addition, the single-collision Eley-Rideal reaction cross sections are generally small, suggesting that hot-atom processes should in general play an important role in H-2 formation on metal surfaces. These observations are consistent with recent experiments. Eley-Rideal reactivity is shown to increase as the strength of the H-substrate bond decreases, and H atom trapping becomes less favorable. The cross sections for the reaction of H(g) with H adsorbed onto model graphite surfaces are generally large (5-10 Angstrom (2)). (C) 2001 American Institute of Physics.
引用
收藏
页码:474 / 482
页数:9
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