Electronic Structure and Graphenization of Hexaphenylborazine

Synthesis of graphene that contains boron and nitrogen is still a big challenge. In this paper, we report the growth of boron (B)- and nitrogen (N)-doped graphene on a Pt(111) surface by graphenization of a novel molecule, hexaphenylborazine (HPB). We performed quantum chemical calculations for the molecule and compared the results with the photoelectron spectra. Deposition of HPB onto the heated Pt(111) substrate led to formation of the doped graphene. Incorporation of nitrogen and boron atoms to the graphene lattice was observed up to the substrate temperature of 600 °C and at 400 °C, respectively. On the basis of the experimental results and Mulliken population analysis, we discuss the possible atomic configuration of B,N-doped graphene.