Crystallographic facet selective HER catalysis: exemplified in FeP and NiP₂ single crystals.

ABSTRACT: How the crystal structures of ordered transition-metal phosphide catalysts affect the hydrogen-evolution reaction (HER) is investigated by measuring the anisotropic catalytic activities of selected crystallographic facets on large (mm-sized) single crystals of iron-phosphide (FeP) and monoclinic nickel-diphosphide (m-NiP₂). We find that different crystallographic facets exhibit distinct HER activities, in contrast to a commonly held assumption of severe surface restructuring during catalytic activity. Moreover, density-functional-theory-based computational studies show that the observed facet activity correlates well with the H-binding energy to P atoms on specific surface terminations. Direction dependent catalytic properties of two different phosphides with different tr

SUBMITTER: Owens-Baird B 

PROVIDER: S-EPMC8159208 | biostudies-literature | 2020 Apr

REPOSITORIES: biostudies-literature