Walber Gonçalves Guimarães

Intrinsic Activity of Face-Dependent Hydrogen Evolution Reaction Induced by Cu, Cu2O, and CuO Surfaces

Abstract The hydrogen evolution reaction (HER) is central to electrochemical water splitting and renewable hydrogen production. Here, we use DFT+U, continuum solvation, ab initio thermodynamics, and the computational hydrogen electrode to compare the intrinsic HER thermodynamics...