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W. Guimarães

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Open access Sep 2026

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...

W. Guimarães, Felipe Benedito Soares, E. Pereira · 0 citations

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