Insights into solvent and surface charge effects on Volmer step kinetics on Pt (111).

ABSTRACT: The mechanism of pH-dependent hydrogen oxidation and evolution kinetics is still a matter of significant debate. To make progress, we study the Volmer step kinetics on platinum (111) using classical molecular dynamics simulations with an embedded Anderson-Newns Hamiltonian for the redox process and constant potential electrodes. We investigate how negative electrode electrostatic potential affects Volmer step kinetics. We find that the redox solvent reorganization energy is insensitive to changes in interfacial field strength. The negatively charged surface attracts adsorbed H as well as H⁺, increasing hydrogen binding energy, but also trapping H⁺ in the double layer. While more negative electrostatic potential in the double layer accelerates the oxidation charge tran

SUBMITTER: Wilson JC 

PROVIDER: S-EPMC10130056 | biostudies-literature | 2023 Apr

REPOSITORIES: biostudies-literature