S.O.S: Shape, orientation, and size tune solvation in electrocatalysis
Alessandra Serva,
Simone Pezzotti
Abstract:Current models to understand the reactivity of metal/aqueous interfaces in electrochemistry, e.g., volcano plots, are based on the adsorption free energies of reactants and products, which are often small hydrophobic molecules (such as in CO2 and N2 reduction). Calculations played a major role in the quantification and comprehension of these free energies in terms of the interactions that the reactive species form with the surface. However, solvation free energies also come into play in two ways: (i) by modula… Show more
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