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MM: Fachverband Metall- und Materialphysik

MM 28: Mechanical Properties and Alloy Design: e.g. Light-Weight, High-Temperature, Multicomponent Materials I

MM 28.1: Talk

Tuesday, March 19, 2024, 13:30–13:45, C 230

Structural and electronic properties of one-dimensional nanothreads derived from molecular precursors under pressure — •Samuel Vasconcelos and Michael Rohlfing — Institute for Solid-State Theory, University of Münster, Germany

Low-dimensional materials has been thoroughly investigated in the recent past decades. We focus mainly on one-dimensional materials, synthesized from molecular precursors. In particular, so-called nanothreads were presented in 2016 by Fitzgibbons et. al, derived from benzene molecules that were connected under pressure, changing their hybridization and remaining connected afterwards. Subsequently many other molecules were investigated, showing the same behaviour.

We discuss two cases, in which new properties are obtained under the same phenomenology of transformation. On the one hand, nanothreads derived from the porphyrin family presenting a metallic behaviour, which had not yet been observed in this class of materials. On the other hand, we present a new class of nanotubes with a sp3-connected carbon frame derived from the kekulene family, displaying a functional tubular character. Mechanical and electronic properties will be presented, as well as the basic formation mechanisms behind such transformations.

Keywords: nanothreads; 1D materials; Diels-Alder transformations; porphirin; kekulene