Density Functional Theory Analysis for Orbital Interaction between Hypophosphite Ions and Metal Surfaces

Masahiro Kunimoto; Hiromi Nakai; Takayuki Homma

doi:10.1149/1.3623782

Density Functional Theory Analysis for Orbital Interaction between Hypophosphite Ions and Metal Surfaces

Journal of The Electrochemical Society ◽

10.1149/1.3623782 ◽

2011 ◽

Vol 158 (10) ◽

pp. D626 ◽

Cited By ~ 14

Author(s):

Masahiro Kunimoto ◽

Hiromi Nakai ◽

Takayuki Homma

Keyword(s):

Density Functional Theory ◽

Metal Surfaces ◽

Density Functional ◽

Orbital Interaction ◽

Theory Analysis ◽

Functional Theory

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A density functional theory analysis of trends in glycerol decomposition on close-packed transition metal surfaces

Physical Chemistry Chemical Physics ◽

10.1039/c3cp44088e ◽

2013 ◽

Vol 15 (17) ◽

pp. 6475 ◽

Cited By ~ 46

Author(s):

Bin Liu ◽

Jeffrey Greeley

Keyword(s):

Density Functional Theory ◽

Transition Metal ◽

Metal Surfaces ◽

Density Functional ◽

Theory Analysis ◽

Functional Theory ◽

Transition Metal Surfaces

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Density Functional Theory Analysis of Reaction Mechanism of Hypophosphite Ions on Metal Surfaces

Journal of The Electrochemical Society ◽

10.1149/1.3609000 ◽

2011 ◽

Vol 158 (9) ◽

pp. D585 ◽

Cited By ~ 20

Author(s):

Masahiro Kunimoto ◽

Takuya Shimada ◽

Shuichi Odagiri ◽

Hiromi Nakai ◽

Takayuki Homma

Keyword(s):

Density Functional Theory ◽

Reaction Mechanism ◽

Metal Surfaces ◽

Density Functional ◽

Theory Analysis ◽

Functional Theory

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Exploring the catalytic mechanisms of non-noble VIIIB metal dimer embedded in graphene toward CO oxidation by density functional theory analysis

Applied Surface Science ◽

10.1016/j.apsusc.2021.149780 ◽

2021 ◽

pp. 149780

Author(s):

Mingming Luo ◽

Chao Liu ◽

Meiling Liu ◽

Shaik Gouse Peera ◽

Tongxiang Liang

Keyword(s):

Density Functional Theory ◽

Co Oxidation ◽

Density Functional ◽

Theory Analysis ◽

Functional Theory ◽

Catalytic Mechanisms

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Structure and energetics of benzene adsorbed on transition-metal surfaces: density-functional theory with van der Waals interactions including collective substrate response

New Journal of Physics ◽

10.1088/1367-2630/15/5/053046 ◽

2013 ◽

Vol 15 (5) ◽

pp. 053046 ◽

Cited By ~ 118

Author(s):

Wei Liu ◽

Victor G Ruiz ◽

Guo-Xu Zhang ◽

Biswajit Santra ◽

Xinguo Ren ◽

...

Keyword(s):

Density Functional Theory ◽

Transition Metal ◽

Metal Surfaces ◽

Density Functional ◽

Van Der Waals ◽

Van Der Waals Interactions ◽

Functional Theory ◽

Transition Metal Surfaces

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Conventional and acoustic surface plasmons on noble metal surfaces: A time-dependent density functional theory study

Physical Review B ◽

10.1103/physrevb.86.241404 ◽

2012 ◽

Vol 86 (24) ◽

Cited By ~ 35

Author(s):

Jun Yan ◽

Karsten W. Jacobsen ◽

Kristian S. Thygesen

Keyword(s):

Density Functional Theory ◽

Surface Plasmons ◽

Noble Metal ◽

Metal Surfaces ◽

Density Functional ◽

Time Dependent ◽

Density Functional Theory Study ◽

Functional Theory ◽

Dependent Density

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Density functional theory study of mercury adsorption on metal surfaces

Physical Review B ◽

10.1103/physrevb.77.115412 ◽

2008 ◽

Vol 77 (11) ◽

Cited By ~ 50

Author(s):

Janice A. Steckel

Keyword(s):

Density Functional Theory ◽

Metal Surfaces ◽

Density Functional ◽

Density Functional Theory Study ◽

Mercury Adsorption ◽

Functional Theory

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Delimiting the boron influence on the adsorptive properties of water and OH radicals on H-terminated Boron Doped Diamond catalysts: A Density Functional Theory analysis

Surface Science ◽

10.1016/j.susc.2016.04.018 ◽

2016 ◽

Vol 653 ◽

pp. 27-33 ◽

Cited By ~ 5

Author(s):

Raciel Jaimes ◽

Jorge Vazquez-Arenas ◽

Ignacio González ◽

Marcelo Galván

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Oh Radicals ◽

Theory Analysis ◽

Boron Doped Diamond ◽

Functional Theory ◽

Boron Doped ◽

Adsorptive Properties

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Vibrational spectroscopy investigation using ab initio and density functional theory analysis on the structure of 3-aminobenzotrifluoride

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2006.07.004 ◽

2007 ◽

Vol 67 (1) ◽

pp. 214-224 ◽

Cited By ~ 24

Author(s):

N. Sundaraganesan ◽

S. Illakiamani ◽

C. Meganathan ◽

B. Dominic Joshua

Keyword(s):

Density Functional Theory ◽

Ab Initio ◽

Vibrational Spectroscopy ◽

Density Functional ◽

Theory Analysis ◽

Functional Theory

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Density Functional Theory Analysis of the Importance of Coordination Geometry for 5f36d1 versus 5f4 Electron Configurations in U(II) Complexes

Inorganic Chemistry ◽

10.1021/acs.inorgchem.1c02161 ◽

2021 ◽

Author(s):

Justin C. Wedal ◽

Filipp Furche ◽

William J. Evans

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Coordination Geometry ◽

Theory Analysis ◽

Functional Theory

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Exchange-correlation holes in metal surfaces using nonlocal density-functional theory

Physical Review B ◽

10.1103/physrevb.76.075411 ◽

2007 ◽

Vol 76 (7) ◽

Cited By ~ 4

Author(s):

Dominik B. Jochym ◽

Stewart J. Clark

Keyword(s):

Density Functional Theory ◽

Metal Surfaces ◽

Density Functional ◽

Functional Theory ◽

Exchange Correlation

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