Tailoring Single-Atom Platinum for Selective and Stable Catalysts in Propane Dehydrogenation.
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DOI: 10.1002/cplu.202100560
Abstract: Propane dehydrogenation has been a promising method for producing propylene that has the potentials to meet the increasing global demand for propylene. However, owing to the restricted equilibrium conversion caused by the high endothermicity, even… read more here.
Keywords: tailoring single; atom; single atom; atom like ... See more keywords
Selective Interactions between Free-Atom-like d-States in Single-Atom Alloy Catalysts and Near-Frontier Molecular Orbitals.
Sign Up to like & getrecommendations! Published in 2021 at "Journal of the American Chemical Society"
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
Free-atom-like d states beyond the dilute limit of single-atom alloys
Sign Up to like & getrecommendations! Published in 2023 at "Chemical Science"
DOI: 10.1039/d2sc05772g
Abstract: Through a data-mining and high-throughput density functional theory approach, we identify a diverse range of metallic compounds that are predicted to have transition metals with “free-atom-like” d states that are highly localized in terms of… read more here.
Keywords: free atom; limit single; atom; dilute limit ... See more keywords