Density Functional Theory Study of the Partial Oxidation of Methane to Methanol on Au and Pd Surfaces

The Journal of Physical Chemistry C ◽

10.1021/acs.jpcc.1c06206 ◽

2021 ◽

Author(s):

Ali Nasrallah ◽

Julien Engel ◽

C. Richard A Catlow ◽

David J. Willock

Keyword(s):

Density Functional Theory ◽

Partial Oxidation ◽

Density Functional ◽

Partial Oxidation Of Methane ◽

Density Functional Theory Study ◽

Functional Theory ◽

Oxidation Of Methane

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Partial Oxidation of Methane on Anatase and Rutile Defective TiO2 Supported Rh4 Cluster: A Density Functional Theory Study

The Journal of Physical Chemistry C ◽

10.1021/acs.jpcc.7b07489 ◽

2017 ◽

Vol 121 (47) ◽

pp. 26308-26320 ◽

Cited By ~ 10

Author(s):

Dan Guo ◽

Gui-Chang Wang

Keyword(s):

Density Functional Theory ◽

Partial Oxidation ◽

Density Functional ◽

Partial Oxidation Of Methane ◽

Density Functional Theory Study ◽

Functional Theory ◽

Oxidation Of Methane ◽

Cluster A

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Adsorption of Pd on the Cu(1 1 1) surface and its catalysis of methane partial oxidation: A density functional theory study

Applied Surface Science ◽

10.1016/j.apsusc.2020.145724 ◽

2020 ◽

Vol 513 ◽

pp. 145724 ◽

Cited By ~ 1

Author(s):

Yuanyuan Meng ◽

Chuanmin Ding ◽

Xiaofeng Gao ◽

lichao Ma ◽

Kan Zhang ◽

...

Keyword(s):

Density Functional Theory ◽

Partial Oxidation ◽

Density Functional ◽

Methane Partial Oxidation ◽

Density Functional Theory Study ◽

Functional Theory

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Partial Oxidation of Propylene Catalyzed by VO3Clusters: A Density Functional Theory Study

The Journal of Physical Chemistry A ◽

10.1021/jp7115774 ◽

2008 ◽

Vol 112 (26) ◽

pp. 5984-5993 ◽

Cited By ~ 41

Author(s):

Zhe-Chen Wang ◽

Wei Xue ◽

Yan-Ping Ma ◽

Xun-Lei Ding ◽

Sheng-Gui He ◽

...

Keyword(s):

Density Functional Theory ◽

Partial Oxidation ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory

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A density functional theory study of partial oxidation of propylene on Cu 2 O(0 0 1) and CuO(0 0 1) surfaces

Applied Surface Science ◽

10.1016/j.apsusc.2015.07.155 ◽

2015 ◽

Vol 355 ◽

pp. 660-666 ◽

Cited By ~ 24

Author(s):

Derya Düzenli ◽

Deniz Onay Atmaca ◽

Miray Gülbiter Gezer ◽

Isik Onal

Keyword(s):

Density Functional Theory ◽

Partial Oxidation ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory

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Density functional theory study of ethylene partial oxidation on Ag7 clusters

Chemical Physics Letters ◽

10.1016/j.cplett.2006.09.086 ◽

2006 ◽

Vol 431 (4-6) ◽

pp. 236-240 ◽

Cited By ~ 5

Author(s):

Hua-Gen Yu

Keyword(s):

Density Functional Theory ◽

Partial Oxidation ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory

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Mechanism of the catalytic oxidation of methane on Pt(1 1 1) surfaces in moist environment: A density functional theory study

Applied Surface Science ◽

10.1016/j.apsusc.2018.12.055 ◽

2019 ◽

Vol 471 ◽

pp. 566-586 ◽

Cited By ~ 5

Author(s):

Ruirui Wang ◽

Junjie Chen ◽

Weilong Zhao ◽

Jing Wen ◽

Haixia Li ◽

...

Keyword(s):

Density Functional Theory ◽

Catalytic Oxidation ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory ◽

Oxidation Of Methane ◽

Moist Environment

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On the effectiveness of partial oxidation of propylene by gold: A density functional theory study

Journal of Molecular Catalysis A Chemical ◽

10.1016/j.molcata.2009.02.013 ◽

2009 ◽

Vol 306 (1-2) ◽

pp. 6-10 ◽

Cited By ~ 23

Author(s):

Alberto Roldan ◽

Daniel Torres ◽

Josep M. Ricart ◽

Francesc Illas

Keyword(s):

Density Functional Theory ◽

Partial Oxidation ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory

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Partial Oxidation of Propylene to Propylene Oxide over a Neutral Gold Trimer in the Gas Phase: A Density Functional Theory Study

The Journal of Physical Chemistry B ◽

10.1021/jp054809f ◽

2006 ◽

Vol 110 (6) ◽

pp. 2572-2581 ◽

Cited By ~ 32

Author(s):

Ajay M. Joshi ◽

W. Nicholas Delgass ◽

Kendall T. Thomson

Keyword(s):

Density Functional Theory ◽

Gas Phase ◽

Partial Oxidation ◽

Propylene Oxide ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory

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Density functional theory study of the partial oxidation of methanol on copper surfaces

Journal of Catalysis ◽

10.1016/j.jcat.2005.02.009 ◽

2005 ◽

Vol 231 (2) ◽

pp. 420-429 ◽

Cited By ~ 87

Author(s):

S SAKONG ◽

A GROS

Keyword(s):

Density Functional Theory ◽

Partial Oxidation ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory ◽

Copper Surfaces ◽

Oxidation Of Methanol ◽

Partial Oxidation Of Methanol

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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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Density Functional Theory Study of the Partial Oxidation of Methane to Methanol on Au and Pd Surfaces

Partial Oxidation of Methane on Anatase and Rutile Defective TiO2 Supported Rh4 Cluster: A Density Functional Theory Study

Adsorption of Pd on the Cu(1 1 1) surface and its catalysis of methane partial oxidation: A density functional theory study

Partial Oxidation of Propylene Catalyzed by VO3Clusters: A Density Functional Theory Study

A density functional theory study of partial oxidation of propylene on Cu 2 O(0 0 1) and CuO(0 0 1) surfaces

Density functional theory study of ethylene partial oxidation on Ag7 clusters

Mechanism of the catalytic oxidation of methane on Pt(1 1 1) surfaces in moist environment: A density functional theory study

On the effectiveness of partial oxidation of propylene by gold: A density functional theory study

Partial Oxidation of Propylene to Propylene Oxide over a Neutral Gold Trimer in the Gas Phase: A Density Functional Theory Study

Density functional theory study of the partial oxidation of methanol on copper surfaces

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

Adsorption of Pd on the Cu(1 1 1) surface and its catalysis of methane partial oxidation: A density functional theory study

Mechanism of the catalytic oxidation of methane on Pt(1 1 1) surfaces in moist environment: A density functional theory study