Double layer effects in a model of proton discharge on charged electrodes

• Johannes Wiebe and
• Eckhard Spohr

Beilstein J. Nanotechnol. 2014, 5, 973–982, doi:10.3762/bjnano.5.111

• behavior cannot be based solely on the electrochemical potential (or surface charge) but needs to resort to the molecular details of the double layer structure. Keywords: electrocatalysis; interfacial electrochemistry; proton discharge; reactive force field; trajectory calculations; Introduction One of

• compared reactive trajectory calculations of proton discharge from aqueous solutions to charged platinum electrodes for pure water, for adsorbate layers with single Na+ and Cl− ions, and for an adsorbate layer with two Cl− ions. All ions have their full positive or negative elementary charge, so that no