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The fundamental drivers of electrochemical barriers
- Publication Year :
- 2023
-
Abstract
- We find that ion creation/destruction dominates the behavior of electrochemical reaction barriers, through grand-canonical electronic structure calculations of proton-deposition on transition metal surfaces. We show that barriers respond to potential in a nonlinear manner and trace this to the continuous degree of electron transfer as an ion is created or destroyed. This explains both Marcus-like curvature and Hammond-like shifts. Across materials, we find the barrier energy to be driven primarily by the charge presented on the surface, which in turn is dictated by the native work function, a fundamentally different driving force than non-electrochemical systems.
- Subjects :
- Physics - Chemical Physics
Subjects
Details
- Database :
- arXiv
- Publication Type :
- Report
- Accession number :
- edsarx.2306.05521
- Document Type :
- Working Paper