Determination of the molecular structure and (m,n) index assignment to the constituent walls of MWCNTs with undetermined diameters and chirality

Viktor Andonovic; Aleksandar T. Dimitrov; Perica Paunovic; Beti Andonovic

doi:10.3762/bxiv.2020.132.v1

Determination of the molecular structure and (m,n) index assignment to the constituent walls of MWCNTs with undetermined diameters and chirality

Viktor Andonovic ,
Aleksandar T. Dimitrov ,
Perica Paunovic and
Beti Andonovic

Submitting author affiliation:

Faculty of Technology and Metallurgy, Skopje, Macedonia, The former Yugoslav Republic of

Beilstein Arch. 2020, 2020132. https://doi.org/10.3762/bxiv.2020.132.v1

Published 20 Nov 2020

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SUBJECT AREAS

Show All Preprints Nanotechnology Organic chemistry Bioorganic chemistry / chemical biology Catalysis Chemical methods and reactions Flow and process chemistry Green and sustainable chemistry Materials chemistry Medicinal and pharmaceutical chemistry Nano- and molecular-scale electronics Nano-biomaterials and bioscience Nanomagnetics Nanomaterials, thin films and nanointerfaces Nanomedicine Nanometrology and nanomechanics Nano-optics Nanopatterning, self-assembly and nanofabrication Nanostructures for energy and sensing applications Natural products chemistry Organo main group chemistry Other nanotechnology (unclassified) Other organic chemistry (unclassified) Photochemistry and photovoltaics Physical organic chemistry Supramolecular chemistry

Abstract

Each carbon nanotube (CNT) has its own mathematical representation due to its hexagonal lattice structure. The subjects of research are multi-wall carbon nanotubes (MWCNTs) and determining their structural parameters: innermost and outermost diameters, chiral indices m and n, number of walls and their unit cell parameters. Within this paper low frequency region and corresponding high frequency parts of Raman spectra of three experimentally produced CNTs are considered, as well as use of Python programming for the most accurate (m,n) assignment. Determining the chirality of these samples enables calculation of other structural properties which are performed hereby. Furthermore, this author’s work enables future studies on the samples, as are calculation of different topological indices using the graph representation and the chirality of the studied CNT samples.

Keywords: chirality; indices; MWCNT; Python; Raman spectra

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When a peer-reviewed version of this preprint is available, this information will be updated in the information box above. If no peer-reviewed version is available, please cite this preprint using the following information:

Andonovic, V.; Dimitrov, A. T.; Paunovic, P.; Andonovic, B. Beilstein Arch. 2020, 2020132. doi:10.3762/bxiv.2020.132.v1

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