Microscopic dynamics of charge separation at the aqueous electrochemical interface

Abstract

Aqueous electrode interfaces serve as the backdrop for many important chemical processes in nature and technology. These interfaces continually garner much interest due to their ability to facilitate and even catalyze certain electrochemical reactions. Charge separation is a fundamental step in nearly all catalytic processes that occur at metal interfaces. Traditional electrochemical measurements are able to observe the consequences of charge separation but are limited in their ability to reveal direct molecular details. By studying detailed molecular models of charge transfer at water metal interfaces, we have uncovered the microscopic dynamics of this fundamental process. Elucidating the altered thermodynamics and kinetics of charge separation at water–metal interfaces and identifying their molecular underpinnings will inform the interpretation of macroscopic measurements and the design of better catalysts.