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

Lianming Zhao; Shengping Wang; Qiuyue Ding; Wenbin Xu; Pengpeng Sang; Yuhua Chi; Xiaoqing Lu; Wenyue Guo

doi:10.1021/acs.jpcc.5b03951

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 ◽

Qiuyue Ding ◽

Wenbin Xu ◽

Pengpeng Sang ◽

...

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Functional Theory ◽

Oxidation Of Methanol

Download Full-text

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

Download Full-text

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 ◽

Joachim Sauer

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory ◽

Oxidation Of Methanol

Download Full-text

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

Download Full-text

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

Download Full-text

Oxidation of Methanol to Formaldehyde Catalyzed by V2O5. A Density Functional Theory Study

The Journal of Physical Chemistry B ◽

10.1021/jp021080r ◽

2002 ◽

Vol 106 (37) ◽

pp. 9659-9667 ◽

Cited By ~ 14

Author(s):

P. Boulet ◽

A. Baiker ◽

H. Chermette ◽

F. Gilardoni ◽

J.-C. Volta ◽

...

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory ◽

Oxidation Of Methanol

Download Full-text

Total Oxidation of Methanol on Cu(110): A Density Functional Theory Study

The Journal of Physical Chemistry A ◽

10.1021/jp072773g ◽

2007 ◽

Vol 111 (36) ◽

pp. 8814-8822 ◽

Cited By ~ 65

Author(s):

Sung Sakong ◽

Axel Gross

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Density Functional Theory Study ◽

Total Oxidation ◽

Functional Theory ◽

Oxidation Of Methanol

Download Full-text

Comparison of catalytic activity between Au(110) and Au(111) for the electro-oxidation of methanol and formic acid: Experiment and density functional theory calculation

Electrochimica Acta ◽

10.1016/j.electacta.2017.10.026 ◽

2017 ◽

Vol 256 ◽

pp. 129-138 ◽

Cited By ~ 16

Author(s):

Kechang Shen ◽

Cungui Jia ◽

Boxuan Cao ◽

Hui Xu ◽

Jin Wang ◽

...

Keyword(s):

Density Functional Theory ◽

Catalytic Activity ◽

Formic Acid ◽

Density Functional ◽

Density Functional Theory Calculation ◽

Functional Theory ◽

Oxidation Of Methanol ◽

Electro Oxidation ◽

Theory Calculation

Download Full-text

Aerobic Oxidation of Methanol to Formic Acid on Au8–: Benchmark Analysis Based on Completely Renormalized Coupled-Cluster and Density Functional Theory Calculations

The Journal of Physical Chemistry A ◽

10.1021/jp4030969 ◽

2013 ◽

Vol 117 (40) ◽

pp. 10416-10427 ◽

Cited By ~ 15

Author(s):

Jared A. Hansen ◽

Masahiro Ehara ◽

Piotr Piecuch

Keyword(s):

Density Functional Theory ◽

Formic Acid ◽

Density Functional ◽

Aerobic Oxidation ◽

Density Functional Theory Calculations ◽

Coupled Cluster ◽

Functional Theory ◽

Benchmark Analysis ◽

Oxidation Of Methanol

Download Full-text

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

Download Full-text

Density functional theory study of the oxidation of methanol to formaldehyde on a hydrated vanadia cluster

Journal of Computational Chemistry ◽

10.1002/jcc.21543 ◽

2010 ◽

pp. n/a-n/a ◽

Cited By ~ 2

Author(s):

P. González-Navarrete ◽

L. Gracia ◽

M. Calatayud ◽

J. AndréS

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory ◽

Oxidation Of Methanol

Download Full-text