Current State of Computational Modeling of Nanohelicenes

Abstract

This review considers the works that focus on various aspects of the theoretical description of nanohelicenes (other equivalent names are graphene spirals, graphene helicoid, helical graphene nanoribbon, or helical graphene)—a promising class of one-dimensional nanostructures. The intrinsic helical topology and continuous π-system lead to the manifestation of unique optical, electronic, and magnetic properties that are also highly dependent on axial and torsion strains. In this paper, it was shown that the properties of nanohelicenes are mainly associated with the peripheral modification of the nanohelicene ribbon. We have proposed a nomenclature that enables the classification of all nanohelicenes as modifications of some prototype classes.

Line group approach for quantum chemical study of intrinsic helical twist of ultrathin tellurium nanorods

“…For example, this was shown for chiral carbon nanotubes in the significant paper. 19 Our research group theoretically considered a number of other systems that have helical periodicity only: nanohelicenes, [20][21][22][23][24] polyacetylenes, 25 polytwistane, 26 chiral WS 2 nanotubes, 27 and achiral pristine and Janus nanotubes based on post-transition metal chalcogenides. 28 The symmetry of all the mentioned 1D systems is not associated with any bulk crystal, i.e.…”