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A new series of alkali atom/superalkali doped pyridinic vacancy graphene, M/pyridinic vacancy graphene and M3O/pyridinic vacancy graphene (M=Li, Na, K), have been theoretically designed and investigated by means of density function theory. It is revealed that all M/pyridinic vacancy graphene compounds can present high NLO with considerable first hyperpolarizability in the range of 7923–8523au. Moreover,...
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