Open AccessAdsorption and diffusion of oxygen on Pt (111) surface and subsurface
Author(s) -
Bing Liu,
Linghu Rong-Feng,
Song Xiao-Shu,
Xiaolu Wang,
Xiangdong Yang,
Duanwei He
Publication year - 2012
Publication title -
wuli xuebao
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.199
H-Index - 47
ISSN - 1000-3290
DOI - 10.7498/aps.61.076802
Subject(s) - scanning tunneling microscope , adsorption , diffusion , oxygen , materials science , chemical physics , transition metal , surface diffusion , diffusion barrier , slab , metal , analytical chemistry (journal) , chemistry , nanotechnology , layer (electronics) , thermodynamics , catalysis , metallurgy , environmental chemistry , physics , organic chemistry , geophysics
The adsorption and the diffusion of oxygen on the Pt (111) surface and subsurface are basic issues to understand oxidation and corrosion, which are investigated based on the density functional theory and the periodic slab model. The absorption structure is analyzed through scanning tunneling microscopy (STM) image. The diffusion processes of oxygen atoms on Pt (111) surface and subsurface are discussed in detail using the CI-NEB method. The results show that the diffusion of oxygen atoms over Pt (111) surface is easier than the diffusion into the subsurface, which is mainly because the diffusion of the subsurface needs to go through a layer of Pt atoms and must overcome a certain energy barrier. Transition metal Pt is indicated to have a strong antioxidant activity.