H- and O-induced compressive surface stress on Pt(111): Experiments and density functional theory calculations

被引:11
|
作者
Tian, Zhen [1 ]
Sander, Dirk [1 ]
Negulyaev, Nikolay N. [2 ]
Stepanyuk, Valeri S. [1 ]
Kirschner, Juergen [1 ]
机构
[1] Max Planck Inst Mikrostrukturphys, D-06120 Halle, Germany
[2] Univ Halle Wittenberg, Fachbereich Phys, D-06099 Halle, Germany
来源
PHYSICAL REVIEW B | 2010年 / 81卷 / 11期
关键词
ADSORPTION; RECONSTRUCTION; OXYGEN; DESORPTION; METALS; GAS;
D O I
10.1103/PhysRevB.81.113407
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
Surface-stress changes induced by the adsorption of oxygen and hydrogen on clean Pt(111) are measured at 320 K under UHV conditions with an optical crystal curvature method and are calculated using density-functional theory. A compressive surface-stress change is measured upon exposure of Pt(111) to either H(2) or O(2). The magnitude of the adsorbate-induced surface-stress change is in quantitative agreement with our calculations. Our results indicate that both electropositive (H) and electronegative (O) adsorbates may induce a compressive surface-stress change. The significance of these results for the understanding of adsorbate-induced surface stress is discussed.
引用
收藏
页数:4
相关论文
共 50 条
  • [31] Periodic density functional theory study of Pt(111):: surface features of slabs of different thicknesses
    Kokalj, A
    Causà, M
    JOURNAL OF PHYSICS-CONDENSED MATTER, 1999, 11 (39) : 7463 - 7480
  • [32] Density functional theory studies on the adsorption, diffusion and dissociation of O2 on Pt(111)
    Yang, Zongxian
    Wang, Jinlong
    Yu, Xiaohu
    PHYSICS LETTERS A, 2010, 374 (46) : 4713 - 4717
  • [33] Lateral interactions in O/Pt (111): Density-functional theory and kinetic Monte Carlo
    Jansen, APJ
    Offermans, WK
    COMPUTATIONAL SCIENCE AND ITS APPLICATIONS - ICCSA 2005, PT 1, 2005, 3480 : 1020 - 1029
  • [34] THEORY OF THE COADSORPTION OF H2O AND CO WITH K ON THE PT(111) SURFACE
    MULLER, JE
    PHYSICS AND CHEMISTRY OF ALKALI METAL ADSORPTION, 1989, 57 : 271 - 281
  • [35] Reconstructions and stabilities of PbTe(111) crystal surface from experiments and density-functional theory
    Wu, Haifei
    Si, Jianxiao
    Yan, Yonghong
    Liao, Qing
    Lu, Yunhao
    APPLIED SURFACE SCIENCE, 2015, 356 : 742 - 746
  • [36] Surface structures of atomic hydrogen adsorbed on Cu(111) surface studied by density-functional-theory calculations
    Luo, M. F.
    Hu, G. R.
    Lee, M. H.
    SURFACE SCIENCE, 2007, 601 (06) : 1461 - 1466
  • [37] A comparison of the adsorption and diffusion of hydrogen on the {111} surfaces of Ni, Pd, and Pt from density functional theory calculations
    Watson, GW
    Wells, RPK
    Willock, DJ
    Hutchings, GJ
    JOURNAL OF PHYSICAL CHEMISTRY B, 2001, 105 (21): : 4889 - 4894
  • [38] Density functional theory study of NO-H2O coadsorption on Cu(111)
    Thanh Ngoc Pham
    Hamamoto, Yuji
    Inagaki, Kouji
    Hamada, Ikutaro
    Morikawa, Yoshitada
    PHYSICAL REVIEW MATERIALS, 2022, 6 (07)
  • [39] Catalytic dehydrogenation of the liquid organic hydrogen carrier octahydroindole on Pt (111) surface: Ab initio insights from density functional theory calculations
    Ouma, Cecil N. M.
    Modisha, Phillimon M.
    Bessarabov, Dmitri
    APPLIED SURFACE SCIENCE, 2019, 471 (1034-1040) : 1034 - 1040
  • [40] Adsorption and dissociation of H2 on the Cu2O(111) surface: A density functional theory study
    Zhang, Riguang
    Wang, Baojun
    Ling, Lixia
    Liu, Hongyan
    Huang, Wei
    APPLIED SURFACE SCIENCE, 2010, 257 (04) : 1175 - 1180