Water Dissociation on α1-Hafnium and Ytterbium Substituted Dawson Polyoxotungstates: A Density Functional Theory Study†

Etienne Derat; Emmanuel Lacôte; Bernold Hasenknopf; Serge Thorimbert; Max Malacria

doi:10.1021/jp8038362

Water Dissociation on α1-Hafnium and Ytterbium Substituted Dawson Polyoxotungstates: A Density Functional Theory Study†

The Journal of Physical Chemistry A ◽

10.1021/jp8038362 ◽

2008 ◽

Vol 112 (50) ◽

pp. 13002-13005 ◽

Cited By ~ 20

Author(s):

Etienne Derat ◽

Emmanuel Lacôte ◽

Bernold Hasenknopf ◽

Serge Thorimbert ◽

Max Malacria

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Water Dissociation ◽

Density Functional Theory Study ◽

Functional Theory

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Density Functional Theory Study of the Water Dissociation on Platinum Surfaces: General Trends

The Journal of Physical Chemistry A ◽

10.1021/jp411500j ◽

2014 ◽

Vol 118 (31) ◽

pp. 5832-5840 ◽

Cited By ~ 61

Author(s):

José L. C. Fajín ◽

M. Natália D. S. Cordeiro ◽

José R. B. Gomes

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Water Dissociation ◽

Density Functional Theory Study ◽

Functional Theory ◽

Platinum Surfaces

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The Role of Atomic Vacancy on Water Dissociation over Titanium Dioxide Nanosheet: A Density Functional Theory Study

The Journal of Physical Chemistry C ◽

10.1021/jp208951p ◽

2012 ◽

Vol 116 (3) ◽

pp. 2477-2482 ◽

Cited By ~ 21

Author(s):

Chenghua Sun ◽

Ting Liao ◽

Gao Qing (Max) Lu ◽

Sean C. Smith

Keyword(s):

Density Functional Theory ◽

Titanium Dioxide ◽

Density Functional ◽

Water Dissociation ◽

Density Functional Theory Study ◽

Functional Theory ◽

Atomic Vacancy

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Density functional theory study of water dissociation in a double water bilayer with or without coadsorption of CO on Pt(111)

The Journal of Chemical Physics ◽

10.1063/1.2192514 ◽

2006 ◽

Vol 124 (18) ◽

pp. 184704 ◽

Cited By ~ 18

Author(s):

J. G. Wang ◽

B. Hammer

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Water Dissociation ◽

Density Functional Theory Study ◽

Functional Theory

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Density Functional Theory Study of Monoclinic FeNbO4: Bulk Properties and Water Dissociation at the (010), (011), (110), and (111) Surfaces

The Journal of Physical Chemistry C ◽

10.1021/acs.jpcc.1c05452 ◽

2021 ◽

Author(s):

Xingyu Wang ◽

David Santos-Carballal ◽

Nora H. de Leeuw

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Water Dissociation ◽

Density Functional Theory Study ◽

Functional Theory ◽

Bulk Properties

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Erratum: Density functional theory study of water dissociation in a double water bilayer with or without coadsorption of CO on Pt(111) [J. Chem. Phys. 124, 184704 (2006)]

The Journal of Chemical Physics ◽

10.1063/1.2742387 ◽

2007 ◽

Vol 126 (21) ◽

pp. 219901 ◽

Cited By ~ 1

Author(s):

J. G. Wang ◽

B. Hammer

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Chem Phys ◽

Water Dissociation ◽

Density Functional Theory Study ◽

Functional Theory

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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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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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Structural Stability of Ruthenium Nanoparticles: A Density Functional Theory Study

The Journal of Physical Chemistry C ◽

10.1021/acs.jpcc.7b08672 ◽

2017 ◽

Vol 121 (49) ◽

pp. 27445-27452 ◽

Cited By ~ 21

Author(s):

Yusuke Nanba ◽

Takayoshi Ishimoto ◽

Michihisa Koyama

Keyword(s):

Density Functional Theory ◽

Structural Stability ◽

Density Functional ◽

Density Functional Theory Study ◽

Ruthenium Nanoparticles ◽

Functional Theory

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