期刊
NANO LETTERS
卷 9, 期 4, 页码 1577-1582出版社
AMER CHEMICAL SOC
DOI: 10.1021/nl803758s
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资金
- Office of Naval Research (MURI
- National Science Foundation [CHE-0427746, CMMI-0709333, MRSEC DMR-0820521]
- Nebraska Research Initiative
- UNL Research Computing Facility
- Holland Supercomputing Facility at University of NebraskaOmaha
We report a first-principles prediction of a new two-dimensional inorganic material, namely, the B2C graphene in which the boron and carbon atoms are packed into a mosaic of hexagons and rhombuses. In the B2C graphene, each carbon atom is bonded with four boron atoms, forming a planar-tetracoordinate carbon (ptC) moiety, a notion first conceived by Hoffmann et al. The B2C graphene is possibly a metal with a small overlap in the energy of conduction and valence bands. Like the carbon graphene and nanotubes, a B2C graphene sheet can be rolled into various forms of B2C nanotubes as well. Depending on the roll-up vector, the B2C nanotubes may become either a metal or a semiconductor. All B2C graphene nanoribbons are predicted to be uniformly metallic, regardless of their width and edge structure.
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