Promoting Oxygen Reduction Reaction by Inducing Out-of-Plane Polarization in a Metal Phthalocyanine Catalyst.
basic_science · Level V
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- Record sourced from PubMed, PMID 37074628.
- Also identified by DOI 10.1002/adma.202302467.
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Abstract
Metal phthalocyanine (MPc) material with a well-defined MN<sub>4</sub> moiety offers a platform for catalyzing the oxygen reduction reaction (ORR), while the practical performance is often limited by the insufficient O<sub>2</sub> adsorption due to the planar MN<sub>4</sub> configuration. Here, a design (called Gr-M<sub>G</sub> -O-M<sub>P</sub> Pc) is proposed, where the metal of MPc (M<sub>P</sub> ) is axially coordinated to a single metal atom in graphene (Gr-M<sub>G</sub> ) through a bridge-bonded oxygen atom (O), introducing effective out-of-plane polarization to promote O<sub>2</sub> adsorption on MPc. Manipulating the out-of-plane polarization charge by varying types of M<sub>P</sub> and M<sub>G</sub> (M<sub>P</sub> = Fe/Co/Ni, M<sub>G</sub> = Ti/V/Cr/Mn/Fe/Co/Ni) in the axial coordination zone of -M<sub>G</sub> -O-M<sub>P</sub> - are examined by density functional theory simulations. Among them, the catalyst of Gr-V-O-FePc stands out with the highest calculated O<sub>2</sub> adsorption energy, which is synthesized successfully and verified by systemic X-ray absorption spectroscopy measurements. Importantly, it delivers a remarkable ORR performance with half-wave potential of 0.925 V (versus reversible hydrogen electrode) and kinetic current density of 26.7 mA cm<sup>-2</sup> . This thus demonstrates a new and simple way to pursue high catalytic performance by inducing out-of-plane polarization in catalysts.