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Journal of Nanoparticle Research

Erschienen in:

01.03.2012 | Research Paper

Structure and electronic properties of boron nitride sheet with grain boundaries

verfasst von: Zhiguo Wang

Erschienen in: Journal of Nanoparticle Research | Ausgabe 3/2012

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Abstract

Using first-principles calculations, the structure, stability, and electronic properties of BN sheets with grain boundaries (GBs) are investigated. Two types of GBs, i.e., zigzag- and armchair-oriented GBs, are considered. Simulation results reveal that the zigzag-oriented GBs are more stable than the armchair-oriented ones. The GBs induce defect levels located within the band gap, which must be taken into account when building nanoelectronic devices.

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Titel: Structure and electronic properties of boron nitride sheet with grain boundaries
verfasst von: Zhiguo Wang
Publikationsdatum: 01.03.2012
Verlag: Springer Netherlands
Erschienen in: Journal of Nanoparticle Research / Ausgabe 3/2012
Print ISSN: 1388-0764
Elektronische ISSN: 1572-896X
DOI: https://doi.org/10.1007/s11051-012-0756-1

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