Coordination Chemistry of Large-Sized Yttrium Single-Atom Catalysts for Oxygen Reduction Reaction

Coordination Chemistry of Large-Sized Yttrium Single-Atom Catalysts for Oxygen Reduction Reaction

© 2023 Wiley-VCH GmbH.

Détails bibliographiques
Publié dans:Advanced materials (Deerfield Beach, Fla.). - 1998. - 35(2023), 24 vom: 13. Juni, Seite e2300381
Auteur principal: Ji, Bifa (Auteur)
Autres auteurs: Gou, Jiali, Zheng, Yongping, Pu, Xiuhao, Wang, Yehai, Kidkhunthod, Pinit, Tang, Yongbing
Format: Article en ligne
Langue:English
Publié: 2023
Accès à la collection:Advanced materials (Deerfield Beach, Fla.)
Sujets:Journal Article YN4-Cl motifs covalency competition dynamic coordination oxygen reduction reaction self-adaptive dynamics
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520 |a Although being transition metals, the Fenton-inactive group 3-4 elements (Sc, Y, La, Ti, Zr, and Hf) can easily lose all the outermost s and d electrons, leaving behind ionic sites with nearly empty outermost orbitals that are stable but inactive for oxygen involved catalysis. Here, it is demonstrated that the dynamic coordination network can turn these commonly inactive ionic sites into platinum-like catalytic centers for the oxygen reduction reaction (ORR). Using density functional theory calculations, a macrocyclic ligand coordinated yttrium single-atom (YN4 ) moiety is identified, which is originally ORR inactive because of the too strong binding of hydroxyl intermediate, while it can be activated by an axial ligand X through the covalency competition between YX and YOH bonds. Strikingly, it is also found that the binding force of the axially coordinated ligand is an effective descriptor, and the chlorine ligand is screened out with an optimal binding force that behaves self-adaptively to facilitate each ORR intermediate steps by dynamically changing its YCl covalency. These experiments validate that the as-designed YN4 -Cl moieties embedded within the carbon framework exhibit a high half-wave potential (E1/2 = 0.85 V) in alkaline media, the same as that of the commercial Pt/C catalyst 
650 4 |a Journal Article 
650 4 |a YN4-Cl motifs 
650 4 |a covalency competition 
650 4 |a dynamic coordination 
650 4 |a oxygen reduction reaction 
650 4 |a self-adaptive dynamics 
700 1 |a Gou, Jiali  |e verfasserin  |4 aut 
700 1 |a Zheng, Yongping  |e verfasserin  |4 aut 
700 1 |a Pu, Xiuhao  |e verfasserin  |4 aut 
700 1 |a Wang, Yehai  |e verfasserin  |4 aut 
700 1 |a Kidkhunthod, Pinit  |e verfasserin  |4 aut 
700 1 |a Tang, Yongbing  |e verfasserin  |4 aut 
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