most citedHydrogen trapping at surface and subsurface vacancies of low-index surfaces of Pd

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cond-mat.mtrl-sci2020★ 5 cited

Hydrogen trapping at surface and subsurface vacancies of low-index surfaces of Pd

A. V. Subashiev, H. H. Nee

Hydrogen segregation to vacancies in the surface and subsurface layers of (111) and (100) surfaces of Pd is studied in the density functional theory (DFT) approach. Adsorption ener…