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

Dan Guo; Gui-Chang Wang

doi:10.1021/acs.jpcc.7b07489

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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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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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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Effect of Cu-doped site and charge on the optical and magnetic properties of 55-atom Ag cluster: A density functional theory study

Computational Materials Science ◽

10.1016/j.commatsci.2013.09.022 ◽

2014 ◽

Vol 81 ◽

pp. 587-594 ◽

Cited By ~ 13

Author(s):

Weiyin Li ◽

Fuyi Chen

Keyword(s):

Density Functional Theory ◽

Magnetic Properties ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory ◽

Cluster A ◽

Optical And Magnetic Properties ◽

Ag Cluster

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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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Absorption Spectroscopic Properties of AgSiO Cluster: A Time-Dependent Density Functional Theory Study

Journal of Nanoscience and Nanotechnology ◽

10.1166/jnn.2010.1953 ◽

2010 ◽

Vol 10 (8) ◽

pp. 5479-5482

Author(s):

Gao-Feng Zhao ◽

Jian-Min Sun ◽

Zhi Zeng ◽

Yu-Zong Gu

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Spectroscopic Properties ◽

Time Dependent ◽

Density Functional Theory Study ◽

Functional Theory ◽

Cluster A ◽

Dependent Density

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Isomers of Cu5 cluster: a density functional theory study

The Journal of Atomic and Molecular Sciences ◽

10.4208/jams.060210.070210a ◽

2010 ◽

Author(s):

H. F. Gong ◽

G. P. Li ◽

Y. H. Jia

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory ◽

Cluster A

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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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Methane activation on Fe4 cluster: A density functional theory study

Chemical Physics Letters ◽

10.1016/j.cplett.2012.08.057 ◽

2012 ◽

Vol 550 ◽

pp. 41-46 ◽

Cited By ~ 13

Author(s):

Qiao Sun ◽

Zhen Li ◽

Meng Wang ◽

Aijun Du ◽

Sean C. Smith

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Methane Activation ◽

Density Functional Theory Study ◽

Functional Theory ◽

Cluster A

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

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

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

Effect of Cu-doped site and charge on the optical and magnetic properties of 55-atom Ag cluster: A density functional theory study

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

Absorption Spectroscopic Properties of AgSiO Cluster: A Time-Dependent Density Functional Theory Study

Isomers of Cu5 cluster: 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

Methane activation on Fe4 cluster: A density functional theory study

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

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