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Electronic Structure and Optical Property of Phosphorus Doped Semiconducting Graphene Nanoribbons

The electronic structure and optical property of phosphorus doped semiconducting graphene nanoribbons were calculated by using the density functional theory. Energy band structure and optical spectra were considered to show the special electronic structure of phosphorus doped semiconducting graphene nanoribbons. Our results showed that the Fermi energy of phosphorus doped semiconducting graphene nanoribbons entered in the conduction bands, and that the optical coefficient depend on the width of armchair graphene nanoribbons. It is concluded that the phosphorus doped semiconducting graphene nanoribbons behave p type semiconducting. Therefore, our results have a great significance in developing nanomaterial for fabricating the nanophotovoltaic devices.