THEORY OF ADSORPTION AND DESORPTION OF H-2/SI(001)

被引：95

作者：

PEHLKE, E

SCHEFFLER, M

机构：

[1] Fritz-Haber-Institut der Max-Planck-Gesellschaft, D-14195 Berlin (Dahlem)

来源：

PHYSICAL REVIEW LETTERS | 1995年 / 74卷 / 06期

关键词：

D O I：

10.1103/PhysRevLett.74.952

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

While the small sticking coefficient for molecular hydrogen on the Si(001) surface apparently requires a large energy barrier of adsorption, no such barrier is observed in desorption experiments. We have calculated the potential-energy surface of an H2 molecule in front of a Si(001) surface. If we relax the Si substrate, we find an optimum desorption path with a low (? 0.3 eV) adsorption energy barrier. While molecules impinging on the surface will mostly be reflected at the larger barrier of some frozen substrate, molecules adsorbed on the surface can desorb along the low-barrier path. © 1995 The American Physical Society.

引用

页码：952 / 955

页数：4

共 26 条

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