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

L.A.M.M. Barbosa; P. Sautet

doi:10.1006/jcat.2002.3512

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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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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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 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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Reaction mechanism of ZrCl/sub 4/ with Ge/Si[100]-(2 x 1): a density functional theory study of initial stage of ZrO/sub 2/ atomic layer deiposition on SiGe alloy surface

Proceedings. 7th International Conference on Solid-State and Integrated Circuits Technology, 2004. ◽

10.1109/icsict.2004.1436703 ◽

2005 ◽

Author(s):

Wei Chen ◽

David Wei Zhang ◽

Jie Ren ◽

Hong-Liang Lu ◽

Jian-Yun Zhang ◽

...

Keyword(s):

Density Functional Theory ◽

Reaction Mechanism ◽

Density Functional ◽

Atomic Layer ◽

Alloy Surface ◽

Density Functional Theory Study ◽

Functional Theory ◽

Sige Alloy ◽

Initial Stage

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Methylene imino radical H2CN : matrix isolation ESR and density functional theory study

Molecular Physics ◽

10.1080/002689799165107 ◽

1999 ◽

Vol 96 (6) ◽

pp. 993-1000 ◽

Cited By ~ 2

Author(s):

PAUL H. KASAI

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Matrix Isolation ◽

Density Functional Theory Study ◽

Functional Theory

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A Density Functional Theory Study of 2-Chlorothiophene Adsorption on Rh(111) Surface

CHINESE JOURNAL OF CATALYSIS (CHINESE VERSION) ◽

10.3724/sp.j.1088.2010.90513 ◽

2010 ◽

Vol 31 (1) ◽

pp. 49-55

Author(s):

Zhanhong CHEN ◽

Kaining DING ◽

Xianglan XU ◽

Junqian LI

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory

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Density Functional Theory Study on the Relationship between Polymerization Activity and Substituent Electronic Effect of Polyolefin Catalysts

CHINESE JOURNAL OF CATALYSIS (CHINESE VERSION) ◽

10.3724/sp.j.1088.2010.00126 ◽

2010 ◽

Vol 31 (9) ◽

pp. 1127-1131

Author(s):

Huayi LI ◽

Liaoyun ZHANG ◽

Youliang HU

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Electronic Effect ◽

Density Functional Theory Study ◽

Functional Theory ◽

The Relationship

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Density Functional Theory Study of the Gas Phase and Surface Reaction Kinetics for the MOVPE Growth of GaAs1–yBiy

The Journal of Physical Chemistry A ◽

10.1021/acs.jpca.9b10399 ◽

2020 ◽

Vol 124 (9) ◽

pp. 1682-1697

Author(s):

Ryan C. Lucas ◽

Dane Morgan ◽

Thomas F. Kuech

Keyword(s):

Density Functional Theory ◽

Reaction Kinetics ◽

Gas Phase ◽

Density Functional ◽

Surface Reaction ◽

Density Functional Theory Study ◽

Functional Theory ◽

Movpe Growth ◽

Surface Reaction Kinetics

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Structural Stability of Ruthenium Nanoparticles: A Density Functional Theory Study

The Journal of Physical Chemistry C ◽

10.1021/acs.jpcc.7b08672 ◽

2017 ◽

Vol 121 (49) ◽

pp. 27445-27452 ◽

Cited By ~ 21

Author(s):

Yusuke Nanba ◽

Takayoshi Ishimoto ◽

Michihisa Koyama

Keyword(s):

Density Functional Theory ◽

Structural Stability ◽

Density Functional ◽

Density Functional Theory Study ◽

Ruthenium Nanoparticles ◽

Functional Theory

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Density Functional Theory Study on Electronic and Magnetic Properties of Mn‐Doped (MgO)n (n=2–10) Clusters

Chinese Journal of Chemical Physics ◽

10.1063/1674-0068/26/01/35-42 ◽

2013 ◽

Vol 26 (1) ◽

pp. 35-42 ◽

Cited By ~ 10

Author(s):

Peng Wang ◽

Ming‐xia Yang ◽

Sheng‐li Zhang ◽

Shi‐ping Huang ◽

Hui‐ping Tian

Keyword(s):

Density Functional Theory ◽

Magnetic Properties ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory ◽

Electronic And Magnetic Properties ◽

Mn Doped

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