Surface Coverage Effects on the Formation of Molecular Hydrogen on a Graphite Surface via an Eley-Rideal Mechanism
Surface Coverage Effects on the Formation of Molecular Hydrogen on a Graphite Surface via an Eley-Rideal Mechanism
复制标题
表面覆盖对通过 Eley-Rideal 机制在石墨表面形成分子氢的影响
DOI：
10.1021/jp035809n
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发表时间：
2003
影响因子：
2.9
通讯作者：
D. C. Clary
中科院分区：
文献类型：
--
作者：
A. Meijer;A. Fisher;D. C. Clary
用含时波包方法研究了H_2（O）在石墨（0001）表面上的缔合脱附过程。特别是，其他轻H原子的表面上的覆盖的重要性进行了研究。我们发现，形成的H2分子的振动激发比以前的研究没有表面覆盖的H原子。我们还发现，其他（非反应性）氢原子的存在确实有对H2（O）的形成概率的影响，特别是在低平移能量的传入H原子和共振。
The associative desorption of H2(O) on a graphite(0001) surface via an Eley-Rideal mechanism has been studied using a time-dependent wave packet method. In particular, the importance of a coverage of other light H atoms on the surface was investigated. We find that the H2 molecules are formed less vibrationally excited than in previous studies with no surface coverage of H atoms. We also find that the presence of other (nonreactive) hydrogen atoms does have an effect on the formation probabilities of H2(O), especially at low translational energies of the incoming H atom and at resonances.