Proton exchange membrane fuel(PEMFC)cells have the advantages of simple structure,efficient energy conversion rate and clean products,but the high cost and durability of precious metal catalysts hinder their commercial application.A metal-organic framework(MOF)model of oxygen coordination is constructed by first-principles calculation,the effects of different strain degrees in x and y directions on the catalytic activity of the central atom of the iron-based MOF are studied.The strain has a great regulatory effect on the catalytic activity of Fe-O-MOF in the range of 2%compressive strain to 4%tensile strain along the width y-axis.In the range of compressive strain from 2%to 6%tensile strain along the x-axis of the length of the metal atomic structure,the strain has a great regulatory effect on the catalytic activity of the Fe-O-MOF.
维普
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