Powered by OpenAIRE graph
Found an issue? Give us feedback
image/svg+xml Jakob Voss, based on art designer at PLoS, modified by Wikipedia users Nina and Beao Closed Access logo, derived from PLoS Open Access logo. This version with transparent background. http://commons.wikimedia.org/wiki/File:Closed_Access_logo_transparent.svg Jakob Voss, based on art designer at PLoS, modified by Wikipedia users Nina and Beao ChemPhysChemarrow_drop_down
image/svg+xml Jakob Voss, based on art designer at PLoS, modified by Wikipedia users Nina and Beao Closed Access logo, derived from PLoS Open Access logo. This version with transparent background. http://commons.wikimedia.org/wiki/File:Closed_Access_logo_transparent.svg Jakob Voss, based on art designer at PLoS, modified by Wikipedia users Nina and Beao
ChemPhysChem
Article . 2006 . Peer-reviewed
License: Wiley Online Library User Agreement
Data sources: Crossref
ChemPhysChem
Article . 2007
versions View all 2 versions
addClaim

d‐Band Catalysis in Electrochemistry

Authors: Elizabeth, Santos; Wolfgang, Schmickler;

d‐Band Catalysis in Electrochemistry

Abstract

We have developed the first theory for electrochemical electron transfer reaction that can account for specific catalytic effects. By abandoning the wide-band approximation, we have been able to introduce specific interactions with d-bands, which lower the activation energy. We have applied this model to the breaking of a bond in a diatomic molecule; this is a particularly important case, since generally bond breaking requires a strong catalytic effect of the electrode. When this molecule is far from the electrode, its bonding orbital is filled and its antibonding orbital is empty; during the reaction the antibonding orbital is filled and the bond is broken. The final states consist of two ions, which strongly interact with the polar molecules of the solvent. As is well-known from the theory of Marcus for simple electron transfer, this interaction stabilizes the ions, and the electron transfer generally involves a reorganization, or fluctuation, of the solvent. Our theory permits the calculation of potential energy surfaces V(q,r) as a function of the solvent coordinate q and the bond distance r. An example is shown below.

Related Organizations
  • BIP!
    Impact byBIP!
    selected citations
    These citations are derived from selected sources.
    This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
    113
    popularity
    This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
    Top 1%
    influence
    This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
    Top 10%
    impulse
    This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
    Top 10%
Powered by OpenAIRE graph
Found an issue? Give us feedback
selected citations
These citations are derived from selected sources.
This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Citations provided by BIP!
popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
BIP!Impulse provided by BIP!
113
Top 1%
Top 10%
Top 10%
Upload OA version
Are you the author of this publication? Upload your Open Access version to Zenodo!
It’s fast and easy, just two clicks!