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Issue 90, 2015
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Beryllium decorated armchair BC2N nanoribbons: coexistence of planar tetracoordinate carbon and nitrogen moieties

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Abstract

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 (aBC2NNR) using various atomic types. Among them, one new structure with alternate ptC and ptN moieties via Be-decorated aBC2NNR has been obtained, and its excellent thermal stability is confirmed by using the global minimization method and molecular dynamic simulations. The electronic conductivity of aBC2NNR undergoes a change from semiconductor to conductor before and after Be atom decoration. Especially, large spin-splitting behavior is induced in aBC2NNR 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.

Graphical abstract: Beryllium decorated armchair BC2N nanoribbons: coexistence of planar tetracoordinate carbon and nitrogen moieties

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Article information


Submitted
30 Jun 2015
Accepted
27 Aug 2015
First published
27 Aug 2015

RSC Adv., 2015,5, 73945-73950
Article type
Paper

Beryllium decorated armchair BC2N nanoribbons: coexistence of planar tetracoordinate carbon and nitrogen moieties

B. Xiao, J. Cheng, Z. Liu, Q. Li, W. Li, X. Yang and X. Yu, RSC Adv., 2015, 5, 73945
DOI: 10.1039/C5RA12660F

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