Electronic Structure and Graphenization of Hexaphenylborazine

• Published in: Journal of physical chemistry. C Vol. 116; no. 30; pp. 16305 - 16310
• Main Authors: Imamura, Gaku, Chang, Cha Wen, Nabae, Yuta, Kakimoto, Masa-aki, Miyata, Seizo, Saiki, Koichiro
• Format: Journal Article
• Language: English
• Published: Columbus, OH American Chemical Society 02.08.2012
• Subjects: Applied sciences; Condensed matter: electronic structure, electrical, magnetic, and optical properties; Cross-disciplinary physics: materials science; rheology; Electron and ion emission by liquids and solids; impact phenomena; Electronic structure and electrical properties of surfaces, interfaces, thin films and low-dimensional structures; Electronic structure of nanoscale materials : clusters, nanoparticles, nanotubes, and nanocrystals; Electronics; Exact sciences and technology; Fullerenes and related materials; diamonds, graphite; Interfaces, heterostructures, nanostructures; Materials science; Optoelectronic devices; Photoemission and photoelectron spectra; Physics; Semiconductor electronics. Microelectronics. Optoelectronics. Solid state devices; Specific materials; Photoelectron spectra; Quantum chemistry; Doping; Light emitting diodes; Mulliken population; Substrat temperature; Boron; Experimental result; Electronic structure; Graphene; Growth mechanism; Boron additions; Nitrogen additions; Atomic structure; Quantum theory
• DOI: 10.1021/jp304879s
• ISSN: 1932-7447

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.