Density functional study of hydrogen adsorption on beryllium (0001)

被引：35
|
作者：
Allouche, A. [1 ,2 ]
机构：
[1] CNRS, F-13397 Marseille 20, France
[2] Univ Aix Marseille 1, F-13397 Marseille 20, France
来源：
PHYSICAL REVIEW B | 2008年 / 78卷 / 08期
关键词：
D O I：
10.1103/PhysRevB.78.085429
中图分类号：
T [工业技术];
学科分类号：
08 ;
摘要：
Beryllium, tungsten, and carbon are planned as wall materials for the future international tokamak. Although beryllium is not situated in a region submitted to the most dramatic plasma-wall interaction, its reactivity toward hydrogen atom impinging is of fundamental importance. This paper is devoted to theoretical study of hydrogen adsorption on the beryllium (0001) surface based on the first-principles discrete Fourier transform method. Comparison is proposed to former theoretical works and to thermal-desorption spectroscopy.
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页数：7
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