Surface Restructuring of Nickel Sulfide Generates Optimally Coordinated Active Sites for Oxygen Reduction Catalysis
نویسندگان
چکیده
Crystalline Ni3S2 oxygen reduction reaction (ORR) catalysts undergo oxidative surface reconstruction under catalytic conditions to generate an approximately 2 nm amorphous surface layer with NiS stoichiometry. DFT calculations establish a simple local coordination number based descriptor for ORR catalysis and suggest that Ni atoms surrounded by three S nearest neighbors display optimal activity. The surface reconstructed Ni3S2 exhibits similar ORR activity to electrodeposited amorphous NiS films.
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تاریخ انتشار 2017