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Enlarging the Ni-O Bond Polarizability in a Phosphorene-Hosted Metal-Organic Framework for Boosted Water Oxidation Electrocatalysis
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DOI：10.1021/acsnano.3c05224.png)
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Abstract
En 中文
The emerging lattice-oxygen oxidation mechanism (LOM) presents attractive opportunities for breaking the scaling relationship to boost oxygen evolution reaction (OER) with the direct O-Lattice*O interaction. However, currently the LOM-triggering rationales are still debated, and a streamlined physicochemical paradigm is extremely desirable for the design of LOM-defined OER catalysts. Herein, a Ni metal-organic framework/black phosphorene (NiMOF/BP) heterostructure is theoretically profiled and constructed as a catalytic platform for the LOM-derived OER studies. It is found that the p-type BP host can enlarge the Ni-O bond polarizability of NiMOF through the Ni-O bond stretching and Ni valence declining synergically. Such an enlarged bond polarizability will in principle alleviate the lattice oxygen confinement to benefit the LOM pathway and OER performance. As a result, the optimized NiMOF/BP catalyst exhibits promising OER performance with a low overpotential of 260 mV at 10 mA cm(-2) and long-term stability in 1 M KOH electrolyte. Both experiment and calculation results suggest the activated LOM pathway with a more balanced step barrier in the NiMOF/BP OER catalyst. This research puts forward Ni-O bond polarizability as the criterion to design LOM-scaled electrocatalysts for water oxidation.
Keywords:
metal-organic frameworks
phosphorene
bond polarizability
water oxidation
electrocatalysis
lattice oxygen mechanism
Journal
IF:
16
Papers:
2.6W
Citations:
25.6W