DOI: 10.1063/1.1372512. General trends in CO dissociation on transition metal surfaces

General trends in CO dissociation on transition metal surfaces

10.1063/1.1372512

Crossref journal-article

AIP Publishing

The Journal of Chemical Physics (317)

Abstract

Dissociative adsorption is one of the most important reactions in catalysis. In this communication we propose a model aiming to generalize the important factors that affect dissociation reactions. Specifically, for a dissociation reaction, say AB→A+B, the model connects the dissociation barrier with the association barrier, the chemisorption energies of A and B at the final state and the bonding energy of AB in the gas phase. To apply this model, we have calculated CO dissociation on Ru(0001), Rh(111), Pd(111) (4d transition metals), Os(0001), Ir(111), and Pt(111) (5d transition metals) using density function theory (DFT). All the barriers are determined. We find that the DFT results can be rationalized within the model. The model can also be used to explain many experimental observations.

Bibliography

Liu, Z.-P., & Hu, P. (2001). General trends in CO dissociation on transition metal surfaces. The Journal of Chemical Physics, 114(19), 8244â8247.

Authors 2

Zhi-Pan Liu (first)
P. Hu (additional)

References 26 Referenced 209

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Dates

Type	When
Created	23 years, 1 month ago (July 26, 2002, 10:17 a.m.)
Deposited	1 year, 6 months ago (Feb. 6, 2024, 11:27 p.m.)
Indexed	3 days, 18 hours ago (Aug. 29, 2025, 6:05 a.m.)
Issued	24 years, 3 months ago (May 15, 2001)
Published	24 years, 3 months ago (May 15, 2001)
Published Print	24 years, 3 months ago (May 15, 2001)

Funders 0

None

BibTeX

@article{Liu_2001, title={General trends in CO dissociation on transition metal surfaces}, volume={114}, ISSN={1089-7690}, url={http://dx.doi.org/10.1063/1.1372512}, DOI={10.1063/1.1372512}, number={19}, journal={The Journal of Chemical Physics}, publisher={AIP Publishing}, author={Liu, Zhi-Pan and Hu, P.}, year={2001}, month=may, pages={8244–8247} }

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