Journal article

Oxidation of hydrocarbons at surface defects: Unprecedented confirmation of the oxomethylidyne pathway on a stepped Rh surface

Abstract:: The pathway of methylidyne (CH) oxidation on Rh{211} was studied using plane wave density functional theory (DFT) slab calculations and microkinetic simulations. We present ample evidence that the direct decomposition and oxidation mechanism is not the main reaction route to sythesis gas especially during light-off of catalysts. We characterize the transition state for the surface oxidation of CH to oxomethylidyne (CHO) species and subsequent decomposition to CO and H as products to establish the minimum energy pathway. © 2008 American Chemical Society.

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APA Style

Bhattacharjee, T., Inderwildi, O., Jenkins, S., Riedel, U., & Warnatz, J. (2008). Oxidation of hydrocarbons at surface defects: Unprecedented confirmation of the oxomethylidyne pathway on a stepped Rh surface. Journal of Physical Chemistry C, 112(24), 8751–8753.

MLA Style

Bhattacharjee, T, et al. “Oxidation of Hydrocarbons at Surface Defects: Unprecedented Confirmation of the Oxomethylidyne Pathway on a Stepped Rh Surface.” Journal of Physical Chemistry C, vol. 112, no. 24, 2008, pp. 8751–53.

Chicago Style

Bhattacharjee, T, O Inderwildi, S Jenkins, U Riedel, and J Warnatz. 2008. “Oxidation of Hydrocarbons at Surface Defects: Unprecedented Confirmation of the Oxomethylidyne Pathway on a Stepped Rh Surface.” Journal of Physical Chemistry C 112 (24): 8751–53.
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Publisher copy:: 10.1021/jp8026594

Authors

+ Bhattacharjee, T More by this author

Role:: Author

+ Inderwildi, O More by this author

Institution:: University of Oxford
Division:: MPLS
Department:: Chemistry
Role:: Author

+ Jenkins, S More by this author

Role:: Author

+ Riedel, U More by this author

Role:: Author

+ Warnatz, J More by this author

Role:: Author

Journal:: Journal of Physical Chemistry C More from this journal
Volume:: 112
Issue:: 24
Pages:: 8751-8753
Publication date:: 2008-06-19
DOI:: 10.1021/jp8026594
EISSN:: 1932-7455
ISSN:: 1932-7447

Language:: English
Pubs id:: pubs:291879
UUID:: uuid:f8611519-5ce9-4868-bceb-d087c8cdc0b6
Local pid:: pubs:291879
Source identifiers:: 291879
Deposit date:: 2013-11-17
ARK identifier:: ark:/29072/ora_f86115195ce94868bcebd087c8cdc0b6

Terms of use

Copyright date:: 2008

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

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