Bending energy of 2D materials: graphene, MoS2 and imogolite

Rafael I. González; Felipe J. Valencia; José Rogan; Juan Alejandro Valdivia; Jorge Sofo; Miguel Kiwi; Francisco Munoz

doi:10.1039/C7RA10983K

Bending energy of 2D materials: graphene, MoS₂ and imogolite†

Rafael I. González,

*^ab Felipe J. Valencia,^bcd José Rogan,^bc Juan Alejandro Valdivia,^bc Jorge Sofo,^e Miguel Kiwi

^bc and Francisco Munoz

^bc

Author affiliations

* Corresponding authors

^a Centro de Nanotecnología Aplicada, Facultad de Ciencias, Universidad Mayor, Santiago, Chile
E-mail: rafael.gonzalezvaldes@mayor.cl

^b Centro para el Desarrollo de la Nanociencia y la Nanotecnología (CEDENNA), Santiago, Chile

^c Departamento de Física, Facultad de Ciencias, Universidad de Chile, Casilla 653, Santiago, Chile

^d Núcleo de Matemáticas, Física y Estadítica, Facultad de Ciencias, Universidad Mayor, Manuel Montt 367, Providencia, Santiago, Chile

^e Department of Physics and Material Research Institute, The Pennsylvania State University, University Park, Pennsylvania 16802, USA

Abstract

The bending process of 2D materials, subject to an external force, is investigated, and applied to graphene, molybdenum disulphide (MoS₂), and imogolite. For graphene we obtained 3.43 eV Å² per atom for the bending modulus, which is in good agreement with the literature. We found that MoS₂ is ∼11 times harder to bend than graphene, and has a bandgap variation of ∼1 eV as a function of curvature. Finally, we also used this strategy to study aluminosilicate nanotubes (imogolite) which, in contrast to graphene and MoS₂, present an energy minimum for a finite curvature radius. Roof tile shaped imogolite precursors turn out to be stable, and thus are expected to be created during imogolite synthesis, as predicted to occur by self-assembly theory.

This article is part of the themed collection: Editors’ collection: Graphene

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Article information

DOI: https://doi.org/10.1039/C7RA10983K
Article type: Paper
Submitted: 05 Oct 2017
Accepted: 15 Jan 2018
First published: 25 Jan 2018
This article is Open Access

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RSC Adv., 2018,8, 4577-4583

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Bending energy of 2D materials: graphene, MoS₂ and imogolite

R. I. González, F. J. Valencia, J. Rogan, J. A. Valdivia, J. Sofo, M. Kiwi and F. Munoz, RSC Adv., 2018, 8, 4577 DOI: 10.1039/C7RA10983K

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