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

C. Arasa; P. Gamallo; R. Sayós

doi:10.1021/jp044064y

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 ◽

Cited By ~ 34

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 ◽

Cited By ~ 32

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 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 ◽

Cited By ~ 1

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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Physical Chemistry Chemical Physics ◽

10.1039/b705452a ◽

2007 ◽

Vol 9 (37) ◽

pp. 5112 ◽

Cited By ~ 18

Author(s):

P. Gamallo ◽

R. Sayós

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Atomic Oxygen ◽

Nitrogen Adsorption ◽

Density Functional Theory Study ◽

Functional Theory

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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 ◽

Cited By ~ 15

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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Adsorption of methanol and atomic oxygen on the Pt(100) surface: a first-principles periodic density functional theory study

Physica Scripta ◽

10.1088/0031-8949/81/04/045603 ◽

2010 ◽

Vol 81 (4) ◽

pp. 045603 ◽

Cited By ~ 8

Author(s):

P S Moussounda ◽

M F Haroun ◽

P Légaré

Keyword(s):

Density Functional Theory ◽

First Principles ◽

Density Functional ◽

Atomic Oxygen ◽

Density Functional Theory Study ◽

Functional Theory

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Bonding of Pt/Fe overlayer and its effects on atomic oxygen chemisorption from density functional theory study

Surface Science ◽

10.1016/j.susc.2008.09.019 ◽

2008 ◽

Vol 602 (21) ◽

pp. 3415-3423 ◽

Cited By ~ 12

Author(s):

Mary Clare Sison Escaño ◽

Tien Quang Nguyen ◽

Hiroshi Nakanishi ◽

Hideaki Kasai

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Atomic Oxygen ◽

Density Functional Theory Study ◽

Functional Theory ◽

Oxygen Chemisorption

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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) ◽

Cited By ~ 23

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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CO Oxidation by Molecular and Atomic Oxygen on Ag(100): A Density Functional Theory Study

The Journal of Physical Chemistry C ◽

10.1021/acs.jpcc.6b09105 ◽

2017 ◽

Vol 121 (5) ◽

pp. 2635-2642 ◽

Cited By ~ 12

Author(s):

Xueling Lei ◽

Godwin Mbamalu ◽

Changyong Qin

Keyword(s):

Density Functional Theory ◽

Co Oxidation ◽

Density Functional ◽

Atomic Oxygen ◽

Density Functional Theory Study ◽

Functional Theory

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A density functional theory study of CO and atomic oxygen chemisorption on Pt(111)

Surface Science ◽

10.1016/s0039-6028(00)00456-8 ◽

2000 ◽

Vol 458 (1-3) ◽

pp. 1-14 ◽

Cited By ~ 92

Author(s):

M Lynch ◽

P Hu

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Atomic Oxygen ◽

Density Functional Theory Study ◽

Functional Theory ◽

Oxygen Chemisorption

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Quantum oscillations in adsorption energetics of atomic oxygen on Pb(111) ultrathin films: A density-functional theory study

The Journal of Chemical Physics ◽

10.1063/1.3277674 ◽

2010 ◽

Vol 132 (2) ◽

pp. 024703 ◽

Cited By ~ 7

Author(s):

Ziyu Hu ◽

Yu Yang ◽

Bo Sun ◽

Xiaohong Shao ◽

Wenchuan Wang ◽

...

Keyword(s):

Density Functional Theory ◽

Ultrathin Films ◽

Density Functional ◽

Atomic Oxygen ◽

Density Functional Theory Study ◽

Functional Theory ◽

Quantum Oscillations

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