Photographs of VN@NC nanocomposite, corresponding spatial charge density difference iso-surfaces, and ORR free energy diagrams (IMAGE)
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A VN@NC nanocomposite ORR catalyst consisting VN nanoparticle core encapsulated in a chainmail-like NC shell is designed. The introduction of VN induces the electron transfer from the N on NC to the V in VN and makes the N on NC electrophilic, resulting in optimized adsorption to O-containing intermediates. Benefiting from the unique structure and optimized electronic structure, the VN@NC manifests an obviously promoted ORR activity.
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