Trends in Selective Hydrogen Peroxide Production on Transition Metal Surfaces from First Principles

Rees B. Rankin; Jeffrey Greeley

doi:10.1021/cs3003337

Trends in Selective Hydrogen Peroxide Production on Transition Metal Surfaces from First Principles

ACS Catalysis ◽

10.1021/cs3003337 ◽

2012 ◽

Vol 2 (12) ◽

pp. 2664-2672 ◽

Cited By ~ 86

Author(s):

Rees B. Rankin ◽

Jeffrey Greeley

Keyword(s):

Hydrogen Peroxide ◽

Transition Metal ◽

First Principles ◽

Metal Surfaces ◽

Hydrogen Peroxide Production ◽

Transition Metal Surfaces

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Structure sensitivity of ammonia electro-oxidation on transition metal surfaces: A first-principles study

Journal of Catalysis ◽

10.1016/j.jcat.2021.03.010 ◽

2021 ◽

Vol 397 ◽

pp. 137-147

Author(s):

Ahmed O. Elnabawy ◽

Jeffrey A. Herron ◽

Sara Karraker ◽

Manos Mavrikakis

Keyword(s):

Transition Metal ◽

First Principles ◽

Metal Surfaces ◽

Structure Sensitivity ◽

First Principles Study ◽

Transition Metal Surfaces ◽

Electro Oxidation

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Complex magnetism of iron monolayers on hexagonal transition metal surfaces from first principles

Physical Review B ◽

10.1103/physrevb.79.094411 ◽

2009 ◽

Vol 79 (9) ◽

Cited By ~ 40

Author(s):

B. Hardrat ◽

A. Al-Zubi ◽

P. Ferriani ◽

S. Blügel ◽

G. Bihlmayer ◽

...

Keyword(s):

Transition Metal ◽

First Principles ◽

Metal Surfaces ◽

Transition Metal Surfaces

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Trends in water-promoted oxygen dissociation on the transition metal surfaces from first principles

Physical Chemistry Chemical Physics ◽

10.1039/c6cp06974f ◽

2017 ◽

Vol 19 (3) ◽

pp. 2364-2371 ◽

Cited By ~ 14

Author(s):

Ming Yan ◽

Zheng-Qing Huang ◽

Yu Zhang ◽

Chun-Ran Chang

Keyword(s):

Transition Metal ◽

First Principles ◽

Metal Surfaces ◽

Oxygen Dissociation ◽

Transition Metal Surfaces

The trend of O2 dissociation on the nine transition metal surfaces and the promotional role of water were systematically investigated.

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Structure Sensitivity of Formic Acid Electrooxidation on Transition Metal Surfaces: A First-Principles Study

Journal of The Electrochemical Society ◽

10.1149/2.0161815jes ◽

2018 ◽

Vol 165 (15) ◽

pp. J3109-J3121 ◽

Cited By ~ 14

Author(s):

Ahmed O. Elnabawy ◽

Jeffrey A. Herron ◽

Jessica Scaranto ◽

Manos Mavrikakis

Keyword(s):

Transition Metal ◽

Formic Acid ◽

First Principles ◽

Metal Surfaces ◽

Structure Sensitivity ◽

First Principles Study ◽

Transition Metal Surfaces ◽

Formic Acid Electrooxidation

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First principles investigations of MCD spectra and sum rules for 3d transition metal surfaces

Journal of Magnetism and Magnetic Materials ◽

10.1016/0304-8853(94)90305-0 ◽

1994 ◽

Vol 132 (1-3) ◽

pp. 103-123 ◽

Cited By ~ 61

Author(s):

Ruqian Wu ◽

Dingsheng Wang ◽

A.J. Freeman

Keyword(s):

Transition Metal ◽

First Principles ◽

Metal Surfaces ◽

Sum Rules ◽

Transition Metal Surfaces

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First principles studies of transition metal surfaces : the effect of an external field on surface electronic properties and surface energetics

10.14711/thesis-b803237 ◽

2003 ◽

Author(s):

Yongjia Feng

Keyword(s):

Transition Metal ◽

External Field ◽

Electronic Properties ◽

First Principles ◽

Metal Surfaces ◽

Surface Energetics ◽

Transition Metal Surfaces

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Partial Electrooxidation of Glycerol on Close-Packed Transition Metal Surfaces: Insights from First-Principles Calculations

The Journal of Physical Chemistry C ◽

10.1021/acs.jpcc.0c04002 ◽

2020 ◽

Vol 124 (33) ◽

pp. 17907-17915

Author(s):

Mikael Valter ◽

Egon Campos dos Santos ◽

Lars G. M. Pettersson ◽

Anders Hellman

Keyword(s):

Transition Metal ◽

First Principles ◽

Metal Surfaces ◽

First Principles Calculations ◽

Transition Metal Surfaces

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CO oxidation on transition metal surfaces: reaction rates from first principles

Surface Science ◽

10.1016/s0039-6028(01)01805-2 ◽

2002 ◽

Vol 498 (3) ◽

pp. 314-320 ◽

Cited By ~ 132

Author(s):

Andreas Eichler

Keyword(s):

Transition Metal ◽

Co Oxidation ◽

First Principles ◽

Metal Surfaces ◽

Reaction Rates ◽

Transition Metal Surfaces

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First-principles interatomic potentials for transition-metal surfaces

Physical Review Letters ◽

10.1103/physrevlett.66.3036 ◽

1991 ◽

Vol 66 (23) ◽

pp. 3036-3039 ◽

Cited By ~ 63

Author(s):

John A. Moriarty ◽

Rob Phillips

Keyword(s):

Transition Metal ◽

First Principles ◽

Metal Surfaces ◽

Interatomic Potentials ◽

Transition Metal Surfaces

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First-Principles Interpretation of Scanning Tunneling Microscopy Applied to Transition-Metal Surfaces: Buried CuIr/Cu(001) Surface Alloys

phys stat sol (a) ◽

10.1002/1521-396x(200109)187:1<215::aid-pssa215>3.0.co;2-x ◽

2001 ◽

Vol 187 (1) ◽

pp. 215-226 ◽

Cited By ~ 3

Author(s):

S. Heinze ◽

G. Bihlmayer ◽

S. Bl�gel

Keyword(s):

Transition Metal ◽

Scanning Tunneling Microscopy ◽

First Principles ◽

Metal Surfaces ◽

Scanning Tunneling ◽

Surface Alloys ◽

Tunneling Microscopy ◽

Transition Metal Surfaces

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