Molecular Dynamics Study of Bending Deformation of Mo₂Ti₂C₃ and Ti₄C₃ (MXenes) Nanoribbons.

ABSTRACT: We report a computational study of the bending deformation of two-dimensional nanoribbons by classical molecular dynamics methods. Two-dimensional double transition metal carbides, together with monometallic ones, belong to the family of novel nanomaterials, so-called MXenes. Recently, it was reported that within molecular dynamics simulations, Ti₄C₃ MXene nanoribbons demonstrated higher resistance to bending deformation than thinner Ti₂C MXene and other two-dimensional materials, such as graphene and molybdenum disulfide. Here, we apply a similar method to that used in a previous study to investigate the behavior of Mo₂Ti₂C₃ nanoribbon under bending deformation, in comparison to the Ti₄C₃ sample that h

SUBMITTER: Borysiuk V 

PROVIDER: S-EPMC11477770 | biostudies-literature | 2024 Oct

REPOSITORIES: biostudies-literature