Journal
RSC ADVANCES
Volume 5, Issue 90, Pages 73945-73950Publisher
ROYAL SOC CHEMISTRY
DOI: 10.1039/c5ra12660f
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Funding
- Natural Science Foundation of Shandong Province [ZR2013BM016, ZR2015BQ013]
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Planar tetracoordinate carbon and nitrogen (ptC and ptN) are the most important members in planar tetracoordinate chemistry. On the other hand, the isostructure of graphene, hexagonal monolayer boron-carbon-nitrogen (i.e., h-BC2N) has been viewed as one of the most potential materials in many fields. In this paper, we make the first attempt to design a structure with the coexistence of ptC and ptN moieties by using edge-decoration of armchair BC2N nanoribbons (aBC(2)NNR) using various atomic types. Among them, one new structure with alternate ptC and ptN moieties via Be-decorated aBC(2)NNR has been obtained, and its excellent thermal stability is confirmed by using the global minimization method and molecular dynamic simulations. The electronic conductivity of aBC(2)NNR undergoes a change from semiconductor to conductor before and after Be atom decoration. Especially, large spin-splitting behavior is induced in aBC(2)NNR via partially Be atom decoration. Our work will be helpful not only for enriching ptC and ptN chemistry, but also providing a promising candidate to act as a spintronic device.
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