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Journal article

Reaction rates of all hydrogenation steps in ammonia synthesis over a Ru(0001) surface

Abstract:: The hydrogenation reactions of nitrogen (NH n, (ads) + H (ads) → NH n + 1, (ads), n = 0, 1, 2) on metal surfaces are important elementary steps in the catalytic formation of ammonia. We investigate the reaction dynamics of these hydrogenations on a Ru(0001) surface using transition state theory, including small curvature tunneling corrections. Potential energy surfaces are derived by density functional theory (RPBE) in tw...
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Publication status:: Published

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APA Style

Tautermann, C., Sturdy, Y., & Clary, D. (2006). Reaction rates of all hydrogenation steps in ammonia synthesis over a Ru(0001) surface. JOURNAL OF CATALYSIS, 244(2), 199–207.

MLA Style

Tautermann, C., et al. “Reaction Rates of All Hydrogenation Steps in Ammonia Synthesis over a Ru(0001) Surface.” JOURNAL OF CATALYSIS, vol. 244, no. 2, 2006, pp. 199–207.

Chicago Style

Tautermann, C, Y Sturdy, and D Clary. 2006. “Reaction Rates of All Hydrogenation Steps in Ammonia Synthesis over a Ru(0001) Surface.” JOURNAL OF CATALYSIS 244 (2): 199–207.
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Publisher copy:: 10.1016/j.jcat.2006.08.023

Authors

+ Tautermann, C More by this author

Role:

Author

+ Sturdy, Y More by this author

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Author

+ Clary, D More by this author

Institution:

University of Oxford

Division:

MPLS

Department:

Chemistry

Sub department:

Physical & Theoretical Chem

Role:

Author

Bibliographic Details

Journal:: JOURNAL OF CATALYSIS
Volume:: 244
Issue:: 2
Pages:: 199-207
Publication date:: 2006-12-10
DOI:: 10.1016/j.jcat.2006.08.023
EISSN:: 1090-2694
ISSN:: 0021-9517

Item Description

Language:: English
Keywords:: ruthenium

tunneling

ammonia catalysis

surface reaction

hydrogenations

reaction space Hamiltonian
Pubs id:: pubs:40194
UUID:: uuid:24921d93-7762-49a5-9fdc-df0a63432916
Local pid:: pubs:40194
Source identifiers:: 40194
Deposit date:: 2013-11-17

Terms of use

Copyright date:: 2006

Licence:: Terms and Conditions of Use for Oxford University Research Archive

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