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Embedding of atoms into the nanopore sites of the C6N6 and C6N8 porous carbon nitride monolayers with tunable electronic properties

Bafekry, Asadollah; Stampfl, Catherine; Akgenç, Berna; Mortazavi, Bohayra; Ghergherehchi, Mitra; Ch V Nguyen (Royal Soc Chemistry, 2020)

Using first-principles calculations, we study the effect of embedding various atoms into the nanopore sites of both C6N6 and C6N8 monolayers. Our results indicate that the embedded atoms significantly affect the electronic ...