Density functional theory calculations of XPS binding energy shift for nitrogen-containing graphene-like structures.
نویسندگان
چکیده
Our results validate the use of independent DFT predicted BE shifts for defect identification and constraining ambient pressure XPS observations for Me-Nx moieties in pyrolyzed carbon based ORR electrocatalysts. This supports the understanding of such catalysts as vacancy-and-substitution defects in a graphene-like matrix.
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ورودعنوان ژورنال:
- Chemical communications
دوره 49 25 شماره
صفحات -
تاریخ انتشار 2013