Free-atom-like d states beyond the dilute limit of single-atom alloys
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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