Author:
Lv Bing ,Linghu Rong-Feng ,Song Xiao-Shu ,Wang Xiao-Lu ,Yang Xiang-Dong ,He Duan-Wei , , ,
Abstract
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.
Publisher
Acta Physica Sinica, Chinese Physical Society and Institute of Physics, Chinese Academy of Sciences
Subject
General Physics and Astronomy
Cited by
10 articles.
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