Partial Oxidation of Methanol on the Fe3O4(111) Surface Studied by Density Functional Theory

Xiaoke Li; Joachim Paier

doi:10.1021/acs.jpcc.8b10557

Partial Oxidation of Methanol on the Fe3O4(111) Surface Studied by Density Functional Theory

The Journal of Physical Chemistry C ◽

10.1021/acs.jpcc.8b10557 ◽

2019 ◽

Vol 123 (13) ◽

pp. 8429-8438 ◽

Cited By ~ 8

Author(s):

Xiaoke Li ◽

Joachim Paier

Keyword(s):

Density Functional Theory ◽

Partial Oxidation ◽

Density Functional ◽

Functional Theory ◽

Oxidation Of Methanol ◽

Partial Oxidation Of Methanol

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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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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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A Density Functional Theory Study of the Oxidation of Methanol to Formaldehyde over Vanadia Supported on Silica, Titania, and Zirconia

The Journal of Physical Chemistry B ◽

10.1021/jp014695h ◽

2002 ◽

Vol 106 (32) ◽

pp. 7832-7838 ◽

Cited By ~ 76

Author(s):

Rustam Z. Khaliullin ◽

Alexis T. Bell

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory ◽

Oxidation Of Methanol

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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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The Oxidation of Methanol on PtRu(111): A Periodic Density Functional Theory Investigation

The Journal of Physical Chemistry C ◽

10.1021/acs.jpcc.5b03951 ◽

2015 ◽

Vol 119 (35) ◽

pp. 20389-20400 ◽

Cited By ~ 27

Author(s):

Lianming Zhao ◽

Shengping Wang ◽

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Wenbin Xu ◽

Pengpeng Sang ◽

...

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Functional Theory ◽

Oxidation Of Methanol

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Oxidation of Methanol to Formaldehyde on Silica-Supported Molybdena: Density Functional Theory Study on Models of Mononuclear Sites

The Journal of Physical Chemistry C ◽

10.1021/jp908609s ◽

2010 ◽

Vol 114 (7) ◽

pp. 2967-2979 ◽

Cited By ~ 34

Author(s):

Laurence J. Gregoriades ◽

Jens Döbler ◽

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Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory ◽

Oxidation Of Methanol

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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 ◽

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Wei Xue ◽

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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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Direct oxidation of methanol to formaldehyde by N2O on [Fe]1+ and [FeO]1+ sites in Fe–ZSM-5 zeolite: A density functional theory study

Journal of Catalysis ◽

10.1016/j.jcat.2011.06.012 ◽

2011 ◽

Vol 282 (1) ◽

pp. 191-200 ◽

Cited By ~ 21

Author(s):

Mehmet Ferdi Fellah

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Zeolite A ◽

Density Functional Theory Study ◽

Direct Oxidation ◽

Functional Theory ◽

Oxidation Of Methanol

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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 ◽

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Vol 355 ◽

pp. 660-666 ◽

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Author(s):

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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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A density functional theory study of the oxidation of methanol to formaldehyde over vanadia supported on silica, titania and zirconia

Research on Chemical Intermediates ◽

10.1163/156856704322798115 ◽

2004 ◽

Vol 30 (1) ◽

pp. 133-141 ◽

Cited By ~ 11

Author(s):

N. U. Zhanpeisov

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory ◽

Oxidation Of Methanol

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Partial Oxidation of Methanol on the Fe3O4(111) Surface Studied by Density Functional Theory

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

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

A Density Functional Theory Study of the Oxidation of Methanol to Formaldehyde over Vanadia Supported on Silica, Titania, and Zirconia

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

The Oxidation of Methanol on PtRu(111): A Periodic Density Functional Theory Investigation

Oxidation of Methanol to Formaldehyde on Silica-Supported Molybdena: Density Functional Theory Study on Models of Mononuclear Sites

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

Direct oxidation of methanol to formaldehyde by N2O on [Fe]1+ and [FeO]1+ sites in Fe–ZSM-5 zeolite: 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

A density functional theory study of the oxidation of methanol to formaldehyde over vanadia supported on silica, titania and zirconia

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