Theoretical Study of Atomic Oxygen Adsorption on the Chlorine-Modified Ag(111) Surface

2003 ◽  
Vol 107 (16) ◽  
pp. 3813-3819 ◽  
Author(s):  
Lingling Jia ◽  
Yun Wang ◽  
Kangnian Fan
Keyword(s):  
Atomic Oxygen ◽  
Theoretical Study ◽  
Oxygen Adsorption ◽  
Atomic Oxygen Adsorption

First-principles study of atomic oxygen adsorption on boron-substituted graphite

2008 ◽  
Vol 602 (1) ◽  
pp. 37-45 ◽  
Author(s):  
Qianku Hu ◽  
Qinghua Wu ◽  
Guang Sun ◽  
Xiaoguang Luo ◽  
Zhongyuan Liu ◽  
...  
Keyword(s):  
First Principles ◽  
Atomic Oxygen ◽  
Oxygen Adsorption ◽  
First Principles Study ◽  
Atomic Oxygen Adsorption

Effects of Interstitial Nitrogen Atoms on Atomic Oxygen Adsorption on Fe (001) Surface from Ab Initio Calculations

2017 ◽  
Vol 898 ◽  
pp. 849-855
Author(s):  
Fei Ye ◽  
Ya Kun Wang ◽  
Fei Fan Xu ◽  
Ke Tong
Keyword(s):  
Stainless Steel ◽  
Austenitic Stainless Steel ◽  
Ab Initio ◽  
Density Functional ◽  
Atomic Oxygen ◽  
Density Functional Theory Calculations ◽  
Oxygen Adsorption ◽  
Coulombic Interactions ◽  
Interstitial Nitrogen ◽  
Atomic Oxygen Adsorption

The effects of interstitial nitrogen atoms on the adsorption of atomic oxygen on fcc Fe (001) surface have been studied using ab initio density functional theory calculations to understand the initial stage of oxidation on nitrogenous austenitic stainless steel. It has been found out that the N atoms can improve the adsorption ability of the O atom at the hollow site on the surface, and thus promote the rapid passivation of nitrogenous austenitic stainless steel. This improvement is possibly because the Coulombic interactions between the O atom and the neighboring Fe and Cr atoms are enhanced due to the electron transfer from the Fe and Cr atoms to the N atoms.

Molecular and atomic oxygen adsorption on the kinked Pt(321) surface

1983 ◽  
Vol 124 (1) ◽  
pp. 188-208 ◽  
Author(s):  
Michael R. McClellan ◽  
F.Read McFeely ◽  
John L. Gland
Keyword(s):  
Atomic Oxygen ◽  
Oxygen Adsorption ◽  
Atomic Oxygen Adsorption

Atomic oxygen adsorption and its effect on the oxidation behaviour of ZrB2–ZrC–SiC in air

2011 ◽  
Vol 126 (1-2) ◽  
pp. 156-161 ◽  
Author(s):  
Dong Gao ◽  
Yue Zhang ◽  
Chunlai Xu ◽  
Yang Song ◽  
Xiaobin Shi
Keyword(s):  
Atomic Oxygen ◽  
Oxygen Adsorption ◽  
Oxidation Behaviour ◽  
Atomic Oxygen Adsorption

Ab initio study of atomic oxygen adsorption on the Si surface

2001 ◽  
Vol 308-310 ◽  
pp. 329-332 ◽  
Author(s):  
M.J. Caldas ◽  
R.J. Baierle ◽  
R.B. Capaz ◽  
E. Artacho
Keyword(s):  
Ab Initio ◽  
Atomic Oxygen ◽  
Oxygen Adsorption ◽  
Ab Initio Study ◽  
Atomic Oxygen Adsorption
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