Quantum-Chemical Calculation and Visualization of the Vibrational Modes of Graphene in Different Points of the Brillouin Zone

Different notations of graphene irreducible representations and optical modes could be found in the literature. The goals of this paper are to identify the correspondence between available notations, to calculate the optical modes of graphene in different points of the Brillouin zone, and to compare...

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Autores principales: Lebedieva, Tetiana, Gubanov, Victor, Dovbeshko, Galyna, Pidhirnyi, Denys
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer US 2015
Materias:
Nano Express
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4506279/
https://www.ncbi.nlm.nih.gov/pubmed/26168865
http://dx.doi.org/10.1186/s11671-015-0945-9
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author Lebedieva, Tetiana
Gubanov, Victor
Dovbeshko, Galyna
Pidhirnyi, Denys
author_facet Lebedieva, Tetiana
Gubanov, Victor
Dovbeshko, Galyna
Pidhirnyi, Denys
author_sort Lebedieva, Tetiana
collection PubMed
description Different notations of graphene irreducible representations and optical modes could be found in the literature. The goals of this paper are to identify the correspondence between available notations, to calculate the optical modes of graphene in different points of the Brillouin zone, and to compare them with experimental data obtained by Raman and coherent anti-Stokes Raman scattering (CARS) spectroscopy. The mechanism of the resonance enhancement of vibration modes of the molecules adsorbed on graphene in CARS experiments is proposed. The possibility of appearance of the discrete breathing modes is discussed.
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spelling pubmed-45062792015-07-22 Quantum-Chemical Calculation and Visualization of the Vibrational Modes of Graphene in Different Points of the Brillouin Zone Lebedieva, Tetiana Gubanov, Victor Dovbeshko, Galyna Pidhirnyi, Denys Nanoscale Res Lett Nano Express Different notations of graphene irreducible representations and optical modes could be found in the literature. The goals of this paper are to identify the correspondence between available notations, to calculate the optical modes of graphene in different points of the Brillouin zone, and to compare them with experimental data obtained by Raman and coherent anti-Stokes Raman scattering (CARS) spectroscopy. The mechanism of the resonance enhancement of vibration modes of the molecules adsorbed on graphene in CARS experiments is proposed. The possibility of appearance of the discrete breathing modes is discussed. Springer US 2015-07-11 /pmc/articles/PMC4506279/ /pubmed/26168865 http://dx.doi.org/10.1186/s11671-015-0945-9 Text en © Lebedieva et al. 2015 This is an Open Access article distributed under the terms of the Creative Commons Attribution License (http://creativecommons.org/licenses/by/4.0), which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly credited.
spellingShingle Nano Express
Lebedieva, Tetiana
Gubanov, Victor
Dovbeshko, Galyna
Pidhirnyi, Denys
Quantum-Chemical Calculation and Visualization of the Vibrational Modes of Graphene in Different Points of the Brillouin Zone
title Quantum-Chemical Calculation and Visualization of the Vibrational Modes of Graphene in Different Points of the Brillouin Zone
title_full Quantum-Chemical Calculation and Visualization of the Vibrational Modes of Graphene in Different Points of the Brillouin Zone
title_fullStr Quantum-Chemical Calculation and Visualization of the Vibrational Modes of Graphene in Different Points of the Brillouin Zone
title_full_unstemmed Quantum-Chemical Calculation and Visualization of the Vibrational Modes of Graphene in Different Points of the Brillouin Zone
title_short Quantum-Chemical Calculation and Visualization of the Vibrational Modes of Graphene in Different Points of the Brillouin Zone
title_sort quantum-chemical calculation and visualization of the vibrational modes of graphene in different points of the brillouin zone
topic Nano Express
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4506279/
https://www.ncbi.nlm.nih.gov/pubmed/26168865
http://dx.doi.org/10.1186/s11671-015-0945-9
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