Atomic oxygen adsorption and incipient oxidation of the Pb(111) surface: A density-functional theory study

Physical Review B ◽

10.1103/physrevb.78.035421 ◽

2008 ◽

Vol 78 (3) ◽

Author(s):

Bo Sun ◽

Ping Zhang ◽

Zhigang Wang ◽

Suqing Duan ◽

Xian-Geng Zhao ◽

...

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Atomic Oxygen ◽

Oxygen Adsorption ◽

Density Functional Theory Study ◽

Functional Theory ◽

Atomic Oxygen Adsorption

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Structural and electronic properties of atomic oxygen adsorption on Pt(111): A density-functional theory study

Applied Surface Science ◽

10.1016/j.apsusc.2010.10.114 ◽

2011 ◽

Vol 257 (7) ◽

pp. 3047-3054 ◽

Author(s):

Qing Pang ◽

Yan Zhang ◽

Jian-Min Zhang ◽

Ke-Wei Xu

Keyword(s):

Density Functional Theory ◽

Electronic Properties ◽

Density Functional ◽

Atomic Oxygen ◽

Oxygen Adsorption ◽

Density Functional Theory Study ◽

Functional Theory ◽

Structural And Electronic Properties ◽

Atomic Oxygen Adsorption

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A comparative study of atomic oxygen adsorption at Pd surfaces from Density Functional Theory

Surface Science ◽

10.1016/j.susc.2017.01.001 ◽

2017 ◽

Vol 658 ◽

pp. 38-45 ◽

Author(s):

Vanessa J. Bukas ◽

Karsten Reuter

Keyword(s):

Density Functional Theory ◽

Comparative Study ◽

Density Functional ◽

Atomic Oxygen ◽

Oxygen Adsorption ◽

Functional Theory ◽

Atomic Oxygen Adsorption

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Oxygen adsorption on γ-TiAl surfaces and the related surface phase diagrams: A density-functional theory study

Acta Materialia ◽

10.1016/j.actamat.2012.11.047 ◽

2013 ◽

Vol 61 (5) ◽

pp. 1726-1738 ◽

Author(s):

Lu Wang ◽

Jia-Xiang Shang ◽

Fu-He Wang ◽

Yue Chen ◽

Yue Zhang

Keyword(s):

Density Functional Theory ◽

Phase Diagrams ◽

Density Functional ◽

Oxygen Adsorption ◽

Density Functional Theory Study ◽

Surface Phase ◽

Functional Theory

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Adsorption of Atomic Oxygen and Nitrogen at β-Cristobalite (100): A Density Functional Theory Study

The Journal of Physical Chemistry B ◽

10.1021/jp044064y ◽

2005 ◽

Vol 109 (31) ◽

pp. 14954-14964 ◽

Author(s):

C. Arasa ◽

P. Gamallo ◽

R. Sayós

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Atomic Oxygen ◽

Density Functional Theory Study ◽

Functional Theory

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Density functional theory study of atomic oxygen, O2 and O3 adsorptions on the H-capped (5,0) single-walled carbon nanotube

Physica E Low-dimensional Systems and Nanostructures ◽

10.1016/j.physe.2009.02.022 ◽

2009 ◽

Vol 41 (8) ◽

pp. 1373-1378 ◽

Author(s):

Rabee Khorrampour ◽

Mehdi D. Esrafili ◽

Nasser L. Hadipour

Keyword(s):

Density Functional Theory ◽

Carbon Nanotube ◽

Density Functional ◽

Atomic Oxygen ◽

Density Functional Theory Study ◽

Functional Theory ◽

Single Walled Carbon Nanotube ◽

Single Walled Carbon

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Density functional theory study on oxygen adsorption in LaSrCoO4: An extended cathode material for solid oxide fuel cells

Applied Surface Science ◽

10.1016/j.apsusc.2011.11.050 ◽

2012 ◽

Vol 258 (7) ◽

pp. 3133-3138 ◽

Author(s):

Jun Zhou ◽

Gang Chen ◽

Kai Wu ◽

Yonghong Cheng ◽

Bo Peng ◽

...

Keyword(s):

Density Functional Theory ◽

Solid Oxide Fuel Cells ◽

Cathode Material ◽

Density Functional ◽

Oxygen Adsorption ◽

Solid Oxide ◽

Density Functional Theory Study ◽

Functional Theory

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Density Functional Theory Study of Atomic and Molecular Oxygen Adsorption on Au Clusters

Acta Physico-Chimica Sinica ◽

10.3866/pku.whxb20110438 ◽

2011 ◽

Vol 27 (05) ◽

pp. 1068-1074 ◽

Author(s):

GUO Xiao-Wei ◽

◽

TENG Bo-Tao ◽

YUAN Jin-Huan ◽

ZHAO Yun ◽

...

Keyword(s):

Density Functional Theory ◽

Molecular Oxygen ◽

Density Functional ◽

Oxygen Adsorption ◽

Density Functional Theory Study ◽

Functional Theory ◽

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A Density Functional Theory Study of Oxygen Adsorption at Silver Surfaces: Implications for Nanotoxicity

Computational Science – ICCS 2008 - Lecture Notes in Computer Science ◽

10.1007/978-3-540-69387-1_39 ◽

2008 ◽

pp. 353-359 ◽

Author(s):

Brahim Akdim ◽

Saber Hussain ◽

Ruth Pachter

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Oxygen Adsorption ◽

Density Functional Theory Study ◽

Functional Theory ◽

Silver Surfaces

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Density functional theory study of CO formation through reactions of polycyclic aromatic hydrocarbons with atomic oxygen (O(3P))

Fuel ◽

10.1016/j.fuel.2018.12.047 ◽

2019 ◽

Vol 241 ◽

pp. 851-860 ◽

Author(s):

Özlem Yönder ◽

Christof Hättig

Keyword(s):

Density Functional Theory ◽

Polycyclic Aromatic Hydrocarbons ◽

Aromatic Hydrocarbons ◽

Density Functional ◽

Atomic Oxygen ◽

Density Functional Theory Study ◽

Functional Theory ◽

Polycyclic Aromatic

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Density functional theory study on nitrogen-doped carbon nanotubes with and without oxygen adsorption: the influence of length and diameter

New Journal of Chemistry ◽

10.1039/c1nj20525k ◽

2011 ◽

Vol 35 (11) ◽

pp. 2601 ◽

Author(s):

Xingbang Hu ◽

Chaoying Liu ◽

Youting Wu ◽

Zhibing Zhang

Keyword(s):

Carbon Nanotubes ◽

Density Functional Theory ◽

Density Functional ◽

Oxygen Adsorption ◽

Density Functional Theory Study ◽

Functional Theory ◽

Nitrogen Doped ◽

Nitrogen Doped Carbon

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