.png){kind=icon}
.png){kind=icon}
Return
Fundamental Drivers of Electrochemical Barriers
.png){kind=icon}
OA
AI
X
G
A
DOI：10.1103/PhysRevLett.131.238003.png)
.png){kind=icon}
Original request for help.png){kind=icon}
Share.png){kind=icon}
Save
Abstract
En 中文
We find that ion creation and destruction dominate 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 in nonelectrochemical systems.
Keywords:
ELECTROLYTIC HYDROGEN EVOLUTION
BATTERY ELECTRIC VEHICLES
WORK FUNCTION
SCALING RELATIONS
OXYGEN REDUCTION
ADSORPTION
SIMULATION
KINETICS
ELEMENTS
DENSITY
Journal
IF:
9
Papers:
91
Citations:
51.9W
Organization
Cited Papers