Line group approach for quantum chemical study of intrinsic helical twist of ultrathin tellurium nanorods-Reference-Cited by-同舟云学术

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

Published:2024 Issue:25 Volume:26 Page:3410-3423
ISSN:1466-8033
Container-title:CrystEngComm
language:en
Short-container-title:CrystEngComm

Author:

Porsev Vitaly V.¹^ORCID,Bandura Andrei V.¹^ORCID,Evarestov Robert A.¹

Affiliation:

1. Quantum Chemistry Department, St. Petersburg State University, 7/9 Universitetskaya nab, St. Petersburg, 199034, Russia

Abstract

The internal helical twist of ultrathin tellurium nanorods is explained using line symmetry groups theory. Continuous changes in the topology of the helical bands lead to qualitative changes in the band gap during torsion.

Funder

Russian Science Foundation

Publisher

Royal Society of Chemistry (RSC)

Link

http://pubs.rsc.org/en/content/articlepdf/2024/CE/D4CE00352G

Reference54 articles.

1. E.Roduner , Nanoscopic Materials. Size-dependent Phenomena , RSC Publishing , Cambridge , 2006

2. R. A.Evarestov , Theoretical Modeling of Inorganic Nanostructures. Symmetry and ab initio Calculations of Nanolayers, Nanotubes and Nanowires , NanoScience and Technology, Springer Nature Switzerland AG , 2nd edn, 2020

3. R. A.Evarestov , Quantum Chemistry of Solids. LCAO Treatment of Crystals and Nanostructures , Springer Series in Solid-State Sciences, Springer-Verlag Berlin Heidelberg , 2nd edn, 2012

4. Full symmetry, optical activity, and potentials of single-wall and multiwall nanotubes

5. Energetics of nanoscale graphitic tubules

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