Issue 9, 2018

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

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.

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

Supplementary files

Article information

Article type
Paper
Submitted
05 Okt 2017
Accepted
15 Jan 2018
First published
25 Jan 2018
This article is Open Access
Creative Commons BY license

RSC Adv., 2018,8, 4577-4583

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

This article is licensed under a Creative Commons Attribution 3.0 Unported Licence. You can use material from this article in other publications without requesting further permissions from the RSC, provided that the correct acknowledgement is given.

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