{"database":"biostudies-literature","file_versions":[],"scores":null,"additional":{"submitter":["Gonzalez RI"],"funding":["CONICYT","Fondo Nacional de Desarrollo Científico y Tecnológico"],"pagination":["4577-4583"],"full_dataset_link":["https://www.ebi.ac.uk/biostudies/studies/S-EPMC9077804"],"repository":["biostudies-literature"],"omics_type":["Unknown"],"volume":["8(9)"],"pubmed_abstract":["The bending process of 2D materials, subject to an external force, is investigated, and applied to graphene, molybdenum disulphide (MoS<sub>2</sub>), and imogolite. For graphene we obtained 3.43 eV Å<sup>2</sup> per atom for the bending modulus, which is in good agreement with the literature. We found that MoS<sub>2</sub> 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 MoS<sub>2</sub>, 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."],"journal":["RSC advances"],"pubmed_title":["Bending energy of 2D materials: graphene, MoS<sub>2</sub> and imogolite."],"pmcid":["PMC9077804"],"funding_grant_id":["21140948","1150718","1150806","1130272","1160639"],"pubmed_authors":["Sofo J","Rogan J","Valdivia JA","Kiwi M","Gonzalez RI","Valencia FJ","Munoz F"],"additional_accession":[]},"is_claimable":false,"name":"Bending energy of 2D materials: graphene, MoS<sub>2</sub> and imogolite.","description":"The bending process of 2D materials, subject to an external force, is investigated, and applied to graphene, molybdenum disulphide (MoS<sub>2</sub>), and imogolite. For graphene we obtained 3.43 eV Å<sup>2</sup> per atom for the bending modulus, which is in good agreement with the literature. We found that MoS<sub>2</sub> 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 MoS<sub>2</sub>, 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.","dates":{"release":"2018-01-01T00:00:00Z","publication":"2018 Jan","modification":"2025-05-18T12:07:50.307Z","creation":"2025-04-19T07:27:33.426Z"},"accession":"S-EPMC9077804","cross_references":{"pubmed":["35539543"],"doi":["10.1039/c7ra10983k"]}}