Construction of Bimetallic Co/Fe-Incorporated PTA/FDA Nanoclusters for Boosting Electrocatalytic Oxygen Evolution

Summary. Electrochemical water decomposition as a crucial approach for the gradual growth of renewable energy has attracted extensive attention. Metal-organic frameworks (MOFs) which benefit from ultra-high specific surface area, controllable nanostructures, and excellent porosity have been widely used as high activity catalyst for the decomposition of water by electrochemical means. Herein, the composition and morphology of metal–organic framework nanoclusters with bimetallic Co/Fe-incorporated PTA/FDA nanoclusters is designed for efficient and durable OER electrocatalysts, including CoFe-BTC/PTA, CoFe-BTC/FDA, and CoFe-PTA/FDA. The crystal structure of MOF materials is composed of alternating organic hydrocarbon BTC, PTA, or FDA and inorganic metal oxide layer. Co and Fe interact as central atoms, joining BTC, PTA, or FDA ligands to form a highly symmetric MOF structure. The electronic structures and active sites of various metals are different, and the insertion of iron atoms plays a certain role in the regulation of their electronic structures. CoFe-PTA/FDA shows significant OER overpotential η 10 = 295   mV (1.525 V vs. RHE) reached 10 mA cm-2, with 62.85 mV dec-1 for Tafel slope and pretty conspicuous stability (72 hours of continuous testing). The DFT calculation results show coordination unsaturated metal atom is the primary active center of these electrocatalytic reaction, and the coupling effect caused by adding Fe is the key to adjust the electrocatalytic activity.

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