Beilstein J. Nanotechnol.2014,5, 973–982, doi:10.3762/bjnano.5.111
layer effects on protondischarge reactions from aqueous solutions to charged platinum electrodes. We have extended a recently developed combined proton transfer/protondischarge model on the basis of empirical valence bond theory to include specifically adsorbed sodium cations and chloride anions. For
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; protondischarge; reactive force field; trajectory calculations; Introduction
One of
the most fundamental electrochemical reactions is protondischarge from an aqueous solution to a charged electrode, which is the first step of the hydrogen evolution reaction. This basic electrocatalytic reaction and its dependence on the nature and the surface structure of the electrode, on
PDF
Figure 1:
Snapshot for a water film with two adsorbed Cl− ions (green).
Beilstein J. Nanotechnol.2014,5, 195–201, doi:10.3762/bjnano.5.21
Equation 6 by the confinement effect in conjunction with Sabatier's principle.
For the HER step, a recently proposed alternative to the Volmer–Heyrovsky mechanism was employed [4][5]. Rather than electron-protondischarge over an M–H moiety resulting in the conversion of 2H into H2, the HER investigated
PDF
Figure 1:
(a) Representative structure for a model of a hydroxylated inter-grain interface comprising ZrO(OH)2...