Linear relationship between activation energies and reaction energies for coverage-dependent dissociation reactions on rhodium surfaces.
Evidence of a relationship between activation energies and enthalpy changes of various dissociation reactions on transition metals has been reported recently. A reconsideration of density functional theory results for dissociation energies of oxygen and NO on different rhodium surfaces (low-index an...
| Huvudupphovsmän: | , , |
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| Materialtyp: | Journal article |
| Språk: | English |
| Publicerad: |
2005
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| _version_ | 1826295712788250624 |
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| author | Inderwildi, O Lebiedz, D Warnatz, J |
| author_facet | Inderwildi, O Lebiedz, D Warnatz, J |
| author_sort | Inderwildi, O |
| collection | OXFORD |
| description | Evidence of a relationship between activation energies and enthalpy changes of various dissociation reactions on transition metals has been reported recently. A reconsideration of density functional theory results for dissociation energies of oxygen and NO on different rhodium surfaces (low-index and stepped) and their dependencies on oxygen precoverage reveal that also here a linear Brønsted-Evans-Polanyi (BEP) relationship exists. The establishment of such a general concept would be of tremendous importance for the development of detailed, elementary-step reaction mechanisms, because the activation energies of reaction steps as well as their coverage dependencies could be estimated based on the adsorption energies calculated by means of DFT. |
| first_indexed | 2024-03-07T04:05:16Z |
| format | Journal article |
| id | oxford-uuid:c5ebb829-43cd-478e-ac9e-c7fb2be9eb4c |
| institution | University of Oxford |
| language | English |
| last_indexed | 2024-03-07T04:05:16Z |
| publishDate | 2005 |
| record_format | dspace |
| spelling | oxford-uuid:c5ebb829-43cd-478e-ac9e-c7fb2be9eb4c2022-03-27T06:34:34ZLinear relationship between activation energies and reaction energies for coverage-dependent dissociation reactions on rhodium surfaces.Journal articlehttp://purl.org/coar/resource_type/c_dcae04bcuuid:c5ebb829-43cd-478e-ac9e-c7fb2be9eb4cEnglishSymplectic Elements at Oxford2005Inderwildi, OLebiedz, DWarnatz, JEvidence of a relationship between activation energies and enthalpy changes of various dissociation reactions on transition metals has been reported recently. A reconsideration of density functional theory results for dissociation energies of oxygen and NO on different rhodium surfaces (low-index and stepped) and their dependencies on oxygen precoverage reveal that also here a linear Brønsted-Evans-Polanyi (BEP) relationship exists. The establishment of such a general concept would be of tremendous importance for the development of detailed, elementary-step reaction mechanisms, because the activation energies of reaction steps as well as their coverage dependencies could be estimated based on the adsorption energies calculated by means of DFT. |
| spellingShingle | Inderwildi, O Lebiedz, D Warnatz, J Linear relationship between activation energies and reaction energies for coverage-dependent dissociation reactions on rhodium surfaces. |
| title | Linear relationship between activation energies and reaction energies for coverage-dependent dissociation reactions on rhodium surfaces. |
| title_full | Linear relationship between activation energies and reaction energies for coverage-dependent dissociation reactions on rhodium surfaces. |
| title_fullStr | Linear relationship between activation energies and reaction energies for coverage-dependent dissociation reactions on rhodium surfaces. |
| title_full_unstemmed | Linear relationship between activation energies and reaction energies for coverage-dependent dissociation reactions on rhodium surfaces. |
| title_short | Linear relationship between activation energies and reaction energies for coverage-dependent dissociation reactions on rhodium surfaces. |
| title_sort | linear relationship between activation energies and reaction energies for coverage dependent dissociation reactions on rhodium surfaces |
| work_keys_str_mv | AT inderwildio linearrelationshipbetweenactivationenergiesandreactionenergiesforcoveragedependentdissociationreactionsonrhodiumsurfaces AT lebiedzd linearrelationshipbetweenactivationenergiesandreactionenergiesforcoveragedependentdissociationreactionsonrhodiumsurfaces AT warnatzj linearrelationshipbetweenactivationenergiesandreactionenergiesforcoveragedependentdissociationreactionsonrhodiumsurfaces |