Modification of plasmonic properties in several transition metal-doped graphene studied by the first principles method.

ABSTRACT: Graphene doped with different transition metal (TM) atoms, namely, Co, Ni, Cu, Zn, and Au, have been investigated through first-principles calculations. The TM atom forms a substitutional defect, replacing one carbon atom in the graphene basal plane, which considerably can be obtained through wet or dry chemical processes as reported elsewhere. The calculation results showed that TM atom substitution leads to the opening of a band gap and the emergence of mid-gap states with the Fermi energy in the middle of it. The effects on optical properties were seen from the calculated optical absorption and Electron Energy Loss Spectroscopy (EELS) spectra. Two EELS bands are seen in the far UV region corresponding to the π and (π + σ) plasmons but the influence of the substituted TM effects on the p

SUBMITTER: Dzujah DU 

PROVIDER: S-EPMC9814376 | biostudies-literature | 2023 Jan

REPOSITORIES: biostudies-literature