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.
引用
收藏
页数：7
相关论文
共 50 条
  • [31] ADSORPTION OF HYDROGEN ON BE(0001) SURFACES
    LOSSEV, V
    KUPPERS, J
    SURFACE SCIENCE, 1993, 284 (1-2) : 175 - 185
  • [32] Hydrogen adsorption on Gd(0001)
    Getzlaff, M
    Bode, M
    Wiesendanger, R
    SURFACE SCIENCE, 1998, 410 (2-3) : 189 - 199
  • [33] Investigation of Formaldehyde Adsorption on ZnO(0001) Surface by Density Functional Theory
    Yuxuan Dazhi Chen
    Yong J. Liu
    Russian Journal of Physical Chemistry A, 2020, 94 : 423 - 428
  • [34] Adsorption of hydrogen fluoride on SiC surfaces: A density functional theory study
    Bui, Pho Van
    Inagaki, Kouji
    Sano, Yasuhisa
    Yamauchi, Kazuto
    Morikawa, Yoshitada
    CURRENT APPLIED PHYSICS, 2012, 12 : S42 - S46
  • [35] Hydrogen adsorption study on mixed oxides using the density functional theory
    Salam, M. Abdus
    Sufian, Suriati
    Lwin, Ye
    JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS, 2013, 74 (04) : 558 - 564
  • [36] Density-functional study of hydrogen cyanide adsorption on silicene nanoribbons
    Walia, Gurleen Kaur
    Randhawa, Deep Kamal Kaur
    JOURNAL OF MOLECULAR MODELING, 2018, 24 (09)
  • [37] Investigation of Formaldehyde Adsorption on ZnO(0001) Surface by Density Functional Theory
    Chen, Dazhi
    Liu, Yuxuan
    Yuan, Yong J.
    RUSSIAN JOURNAL OF PHYSICAL CHEMISTRY A, 2020, 94 (02) : 423 - 428
  • [38] Density-functional study of hydrogen cyanide adsorption on silicene nanoribbons
    Gurleen Kaur Walia
    Deep Kamal Kaur Randhawa
    Journal of Molecular Modeling, 2018, 24
  • [39] A density functional theory study of hydrogen adsorption in MOF-5
    Mueller, T
    Ceder, G
    JOURNAL OF PHYSICAL CHEMISTRY B, 2005, 109 (38): : 17974 - 17983
  • [40] Unrestricted density functional study on the adsorption of hydrogen molecule on nickel surface
    Ishiwatari, R
    Tachikawa, M
    JOURNAL OF MOLECULAR STRUCTURE, 2005, 735 : 383 - 387
12345