Mechanical and electronic properties of boron nitride nanosheets with graphene domains under strain

Hybrid structures comprised of graphene domains embedded in larger hexagonal boron nitride (h-BN) nanosheets were first synthesized in 2013. However, the existing theoretical investigations on them have only considered relaxed structures. In this work, we use Density Functional Theory (DFT) and Mole...

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Veröffentlicht in:	RSC advances 2021-10, Vol.11 (56), p.35127-3514
Hauptverfasser:	Lima, J. S, Oliveira, I. S, Azevedo, S, Freitas, A, Bezerra, C. G, Machado, L. D
Format:	Artikel
Sprache:	eng
Schlagworte:	Bonding strength Boron nitride Chemistry Composition Density functional theory Domains Energy gap Graphene Hybrid structures Modulus of elasticity Molecular dynamics Nanosheets Sheets Strain Tensile strength
Online-Zugang:	Volltext
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