Artículos de revistas
Bending energy of 2D materials: graphene, MoS2 and imogolite
Fecha
2018Registro en:
González, R. I., Valencia, F. J., Rogan, J., Valdivia, J. A., Sofo, J., Kiwi, M., & Munoz, F. (2018). Bending energy of 2D materials: graphene, MoS 2 and imogolite. RSC advances, 8(9), 4577-4583.
2046-2069
DOI: 10.1039/c7ra10983k
Autor
González, Rafael I. [Univ Mayor, Fac Ciencias, Ctr Nanotecnol Aplicada, Santiago, Chile]
Valencia, Felipe J. [Univ Mayor, Fac Ciencias, Nucl Matemat Fis & Estadit]
Rogan, Joséé
Valdivia, Juan Alejandro
Sofo, Jorge
Kiwi, Miguel
Muñoz, Francisco
Institución
Resumen
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 angstrom(2) per atom for the bending modulus, which is in good agreement with the literature. We found that MoS2 is similar to 11 times harder to bend than graphene, and has a bandgap variation of similar to 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.