Catalytic decomposition of N2O on Pd Cu alloy catalysts: A density functional theory study

Applied Surface Science ◽

10.1016/j.apsusc.2020.145349 ◽

2020 ◽

Vol 510 ◽

pp. 145349

Author(s):

Kyeounghak Kim ◽

Seungyeon Baek ◽

Jae Jeong Kim ◽

Jeong Woo Han

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Catalytic Decomposition ◽

Density Functional Theory Study ◽

Functional Theory ◽

Cu Alloy ◽

Alloy Catalysts

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Activity and stability descriptors of Ni based alloy catalysts for dry reforming of methane: A density functional theory study

International Journal of Quantum Chemistry ◽

10.1002/qua.26580 ◽

2020 ◽

Author(s):

Koustuv Ray ◽

Aditya Shankar Sandupatla ◽

Goutam Deo

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Dry Reforming ◽

Dry Reforming Of Methane ◽

Density Functional Theory Study ◽

Functional Theory ◽

Alloy Catalysts

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Density Functional Theory Study of Oxygen Reduction Reaction Mechanism on Pt Alloy Catalysts

ECS Meeting Abstracts ◽

10.1149/ma2014-01/21/911 ◽

2014 ◽

Keyword(s):

Density Functional Theory ◽

Reaction Mechanism ◽

Oxygen Reduction Reaction ◽

Density Functional ◽

Reduction Reaction ◽

Density Functional Theory Study ◽

Functional Theory ◽

Pt Alloy Catalysts ◽

Pt Alloy ◽

Alloy Catalysts

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Density functional theory study on direct catalytic decomposition of ammonia on Pd (111) surface

Applied Surface Science ◽

10.1016/j.apsusc.2013.11.167 ◽

2014 ◽

Vol 292 ◽

pp. 494-499 ◽

Author(s):

Zhao Jiang ◽

Qi Pan ◽

Mengmeng Li ◽

Ting Yan ◽

Tao Fang

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Catalytic Decomposition ◽

Density Functional Theory Study ◽

Functional Theory

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A density functional theory study of water gas shift over pseudomorphic monolayer alloy catalysts: Comparison with NO oxidation

Journal of Catalysis ◽

10.1016/j.jcat.2010.03.002 ◽

2010 ◽

Vol 272 (1) ◽

pp. 151-157 ◽

Author(s):

Jelena Jelic ◽

Randall J. Meyer

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

No Oxidation ◽

Water Gas Shift ◽

Density Functional Theory Study ◽

Functional Theory ◽

Water Gas ◽

Alloy Catalysts

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Corrigendum to “A density functional theory study of water gas shift over pseudomorphic monolayer alloy catalysts: Comparison with NO oxidation” [J. Catal. 272 (2010) 151–157]

Journal of Catalysis ◽

10.1016/j.jcat.2013.02.005 ◽

2013 ◽

Vol 301 ◽

pp. 174

Author(s):

Jelena Jelic ◽

Randall J. Meyer

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

No Oxidation ◽

Water Gas Shift ◽

Density Functional Theory Study ◽

Functional Theory ◽

Water Gas ◽

Alloy Catalysts

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The structural and electronic properties of Pt-Cu alloy clusters: Embedding atom method combined with density functional theory study

Journal of Alloys and Compounds ◽

10.1016/j.jallcom.2018.01.150 ◽

2018 ◽

Vol 741 ◽

pp. 604-609 ◽

Author(s):

Xueling Lei ◽

Haimen Mu ◽

Shuai Li ◽

Gang Liu ◽

Bo Xu ◽

...

Keyword(s):

Density Functional Theory ◽

Electronic Properties ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory ◽

Cu Alloy ◽

Structural And Electronic Properties ◽

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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 ◽

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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