A density functional theory study of carbon monoxide oxidation on the Cu3Pt(111) alloy surface: Comparison with the reactions on Pt(111) and Cu(111)

C. J. Zhang; R. J. Baxter; P. Hu; A. Alavi; M.-H. Lee

doi:10.1063/1.1395626

A density functional theory study of carbon monoxide oxidation on the Cu3Pt(111) alloy surface: Comparison with the reactions on Pt(111) and Cu(111)

The Journal of Chemical Physics ◽

10.1063/1.1395626 ◽

2001 ◽

Vol 115 (11) ◽

pp. 5272-5277 ◽

Cited By ~ 55

Author(s):

C. J. Zhang ◽

R. J. Baxter ◽

P. Hu ◽

A. Alavi ◽

M.-H. Lee

Keyword(s):

Density Functional Theory ◽

Carbon Monoxide ◽

Density Functional ◽

Carbon Monoxide Oxidation ◽

Alloy Surface ◽

Density Functional Theory Study ◽

Functional Theory ◽

Surface Comparison

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Density functional theory study of carbon monoxide adsorption on transition metal doped armchair graphene nanoribbon

Materials Today Proceedings ◽

10.1016/j.matpr.2021.11.078 ◽

2021 ◽

Author(s):

R. Deji ◽

Akarsh Verma ◽

Navjot Kaur ◽

B.C. Choudhary ◽

Ramesh K. Sharma

Keyword(s):

Density Functional Theory ◽

Carbon Monoxide ◽

Transition Metal ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory ◽

Carbon Monoxide Adsorption ◽

Metal Doped ◽

Armchair Graphene Nanoribbon ◽

Armchair Graphene

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Density Functional Theory Study of the Interaction of Carbon Monoxide with Bimetallic Co−Mn Clusters

The Journal of Physical Chemistry A ◽

10.1021/jp106321s ◽

2010 ◽

Vol 114 (39) ◽

pp. 10508-10514 ◽

Cited By ~ 24

Author(s):

Jinli Du ◽

Guangfen Wu ◽

Jinlan Wang

Keyword(s):

Density Functional Theory ◽

Carbon Monoxide ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory

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Interaction of carbon monoxide with bimetallic Co–Pt clusters: A density functional theory study

Computational Materials Science ◽

10.1016/j.commatsci.2012.01.038 ◽

2012 ◽

Vol 58 ◽

pp. 77-86 ◽

Cited By ~ 8

Author(s):

Ali Sebetci

Keyword(s):

Density Functional Theory ◽

Carbon Monoxide ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory

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Methanol oxidation on the PtPd(111) alloy surface: A density functional theory study

International Journal of Quantum Chemistry ◽

10.1002/qua.25491 ◽

2017 ◽

Vol 118 (3) ◽

pp. e25491 ◽

Cited By ~ 7

Author(s):

Jing Xu ◽

Sheng Guo ◽

Fei Hou ◽

Jing Li ◽

Lianming Zhao

Keyword(s):

Density Functional Theory ◽

Methanol Oxidation ◽

Density Functional ◽

Alloy Surface ◽

Density Functional Theory Study ◽

Functional Theory

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Density Functional Theory Study on the Mechanism of Calcium Sulfate Reductive Decomposition by Carbon Monoxide

Industrial & Engineering Chemistry Research ◽

10.1021/ie202203b ◽

2012 ◽

Vol 51 (18) ◽

pp. 6563-6570 ◽

Cited By ~ 14

Author(s):

Xuemei Zhang ◽

Xingfu Song ◽

Ze Sun ◽

Ping Li ◽

Jianguo Yu

Keyword(s):

Density Functional Theory ◽

Carbon Monoxide ◽

Calcium Sulfate ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory ◽

Reductive Decomposition

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Time-Dependent Density Functional Theory Study on the Electronic Excited State of Hydrogen-Bonded Clusters Formed by 2-Hydroxybenzonitrile (o-Cyanophenol) and Carbon Monoxide

Journal of Cluster Science ◽

10.1007/s10876-011-0406-2 ◽

2011 ◽

Vol 22 (3) ◽

pp. 501-511 ◽

Cited By ~ 10

Author(s):

Jiazuo Zhang ◽

Guangyan Zhao ◽

Ruizhou Li ◽

Dongyu Hou

Keyword(s):

Density Functional Theory ◽

Carbon Monoxide ◽

Excited State ◽

Density Functional ◽

Time Dependent ◽

Density Functional Theory Study ◽

Functional Theory ◽

Electronic Excited State ◽

Dependent Density ◽

Hydrogen Bonded

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Oxidation of Carbon Monoxide on Group 11 Metal Atoms: Matrix-Isolation Infrared Spectroscopic and Density Functional Theory Study

The Journal of Physical Chemistry A ◽

10.1021/jp055155d ◽

2006 ◽

Vol 110 (8) ◽

pp. 2655-2662 ◽

Cited By ~ 20

Author(s):

Qiang Xu ◽

Ling Jiang

Keyword(s):

Density Functional Theory ◽

Carbon Monoxide ◽

Density Functional ◽

Matrix Isolation ◽

Density Functional Theory Study ◽

Functional Theory ◽

Metal Atoms ◽

Infrared Spectroscopic ◽

Oxidation Of Carbon Monoxide

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Adsorption of carbon monoxide on Ag(I)-ZSM-5 zeolite: An ab initio density functional theory study

Applied Surface Science ◽

10.1016/j.apsusc.2012.05.162 ◽

2012 ◽

Vol 258 (24) ◽

pp. 9629-9635 ◽

Cited By ~ 10

Author(s):

Zhen-Zhen Qiu ◽

Yang-Xin Yu ◽

Jian-Guo Mi

Keyword(s):

Density Functional Theory ◽

Carbon Monoxide ◽

Ab Initio ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory

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Density Functional Theory Study of Pt3M Alloy Surface Segregation with Adsorbed O/OH and Pt3Os as Catalysts for Oxygen Reduction Reaction

The Journal of Physical Chemistry C ◽

10.1021/jp507103c ◽

2014 ◽

Vol 118 (46) ◽

pp. 26703-26712 ◽

Cited By ~ 25

Author(s):

Ho-Cheng Tsai ◽

Ted H. Yu ◽

Yao Sha ◽

Boris V. Merinov ◽

Pu-Wei Wu ◽

...

Keyword(s):

Density Functional Theory ◽

Oxygen Reduction Reaction ◽

Oxygen Reduction ◽

Density Functional ◽

Surface Segregation ◽

Reduction Reaction ◽

Alloy Surface ◽

Density Functional Theory Study ◽

Functional Theory

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Trichloroethene Dechlorination Reactions on the PdCu(110) Alloy Surface: A Periodical Density Functional Theory Study of the Mechanism

Journal of Catalysis ◽

10.1006/jcat.2002.3512 ◽

2002 ◽

Vol 207 (1) ◽

pp. 127-138 ◽

Cited By ~ 13

Author(s):

L.A.M.M. Barbosa ◽

P. Sautet

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Alloy Surface ◽

Density Functional Theory Study ◽

Functional Theory

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