Simulation of the Raman spectroscopy of multi-layered carbon nanomaterials

Tailor, Pritesh M.; Wheatley, Richard J.; Besley, Nicholas A.

Abstract

Multi-layered carbon nanomaterials can have an important role in modern nanotechnology. Raman spectroscopy is a widely used analytical technique that is used to characterise the structure of these materials. In this work, an approach based upon an empirical potential for the simulation of the Raman spectroscopy of carbon nanomaterials [Carbon, 113 (2017) 299] is extended through the addition of a term to describe the Van der Waals interaction between layers of sp2 hybridised carbons. The resulting model accurately describes the properties of the shearing modes of few layer graphene and is used to characterise the low frequency modes of multi-walled carbon nanotubes and carbon nanofibres.

Citation

Tailor, P. M., Wheatley, R. J., & Besley, N. A. (2018). Simulation of the Raman spectroscopy of multi-layered carbon nanomaterials. Physical Chemistry Chemical Physics, 20(44), 28001-28010. https://doi.org/10.1039/c8cp05908j

• Journal Article Type: Article
• Acceptance Date: Oct 24, 2018
• Online Publication Date: Oct 25, 2018
• Publication Date: Oct 25, 2018
• Deposit Date: Nov 1, 2018
• Publicly Available Date: Oct 26, 2019
• Journal: Physical Chemistry Chemical Physics
• Print ISSN: 1463-9076
• Electronic ISSN: 1463-9084
• Publisher: Royal Society of Chemistry
• Peer Reviewed: Peer Reviewed
• Volume: 20
• Issue: 44
• Pages: 28001-28010
• DOI: https://doi.org/10.1039/c8cp05908j
• Keywords: Physical and Theoretical Chemistry; General Physics and Astronomy
• Public URL: https://nottingham-repository.worktribe.com/output/1216835
• Publisher URL: https://pubs.rsc.org/en/Content/ArticleLanding/2018/CP/C8CP05908J#!divAbstract
• Additional Information: : This document is Similarity Check deposited; : Richard J. Wheatley (ORCID); : Nicholas A. Besley (ORCID); : Nicholas A. Besley (ResearcherID); : Single-blind; : Received 19 September 2018; Accepted 24 October 2018; Accepted Manuscript published 25 October 2018; Advance Article published 1 November 2018
• Contract Date: Nov 1, 2018