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