Abstract

One more, one less: Radical centers are generated in binary neutral zirconium oxide clusters by replacing one Zr atom in single-metal cationic and anionic clusters with radical oxygen centers by an atom that has one less (Sc) or one more electron (Nb). This study reveals that these isoelectronic systems promote similar oxidation reactions and can undergo full catalytic cycles (see picture; Zr yellow, Sc gray, O red, C green, H teal, N blue).

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