Intrinsic Activity of Face-Dependent Hydrogen Evolution Reaction Induced by Cu, Cu2O, and CuO Surfaces
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 of Cu, Cu2O, and CuO surfaces with different cr...