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Simulated XPS pattern computed with Table 3 CLS. (a) Expected XPS pattern for clipped trimerized pyridine and single vacancy, similar to one observed in Fig. 3 for NG2 and NG3 samples; (b) Trimerized pyrrole and single vacancy showing that although present the pyrrole defect peak would be less significant that the peak observed for the other two pyridinic positions within the defect (see Fig. 4f) and due to its energy proximity it would be difficult to observed it experimentally.
