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Asymmetric Coordination of Iridium Single-atom IrN3 O Boosting Formic Acid Oxidation Catalysis.
Wang L, Ji B, Zheng Y, Tang Y. Wang L, et al. Angew Chem Int Ed Engl. 2023 Apr 24;62(18):e202301711. doi: 10.1002/anie.202301711. Epub 2023 Mar 23. Angew Chem Int Ed Engl. 2023. PMID: 36872586
Theoretical calculations reveal that the substitution of one or two nitrogen with more electronegative oxygen in the symmetric IrN(4) motif splits and downshifts the Ir 5d orbitals with respect to the Fermi level, moderating the binding strength of key intermediates on IrN …
Theoretical calculations reveal that the substitution of one or two nitrogen with more electronegative oxygen in the symmetric IrN(4) motif …