Selective Interactions between Free-Atom-like d-States in Single-Atom Alloy Catalysts and Near-Frontier Molecular Orbitals.
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DOI: 10.1021/jacs.1c04234
Abstract: In the limit of dilute alloying-the so-called "single-atom alloy" (SAA) regime-certain bimetallic systems exhibit weak mixing between constituent metal wave functions, resulting in sharp, single-atom-like electronic states localized on the dilute component of the alloy.… read more here.
Keywords: molecular orbitals; alloy; atom like; atom alloy ... See more keywords